 1.0 Version
**************************************************
     The number of configurations
--------------------------------------------------
        745
**************************************************
     The maximum number of atom type
--------------------------------------------------
       3
**************************************************
     The atom types in the data file
--------------------------------------------------
     C  H  Cl
**************************************************
     The maximum number of atoms per system
--------------------------------------------------
              6
**************************************************
     The maximum number of atoms per atom type
--------------------------------------------------
              3
**************************************************
     Reference atomic energy (eV)
--------------------------------------------------
   0.0000000000000000        0.0000000000000000        0.0000000000000000     
**************************************************
     Atomic mass
--------------------------------------------------
   12.010999999999999        4.0000000000000000        35.453000000000003     
**************************************************
     The numbers of basis sets per atom type
--------------------------------------------------
       283  1177   571
**************************************************
     Basis set for C 
--------------------------------------------------
        484      1
        366      1
        609      1
        352      1
        170      1
         89      1
        318      1
        514      1
        639      1
        455      1
        460      1
        465      1
        569      1
         21      1
        673      1
        539      1
         24      1
        706      1
        499      1
        689      1
        513      1
        367      1
        445      1
        632      1
        422      1
        210      1
        397      1
        344      1
        470      1
         37      1
        416      1
        623      1
        662      1
        731      1
        444      1
        128      1
        529      1
        744      1
        722      1
        402      1
        254      1
        549      1
        631      1
        480      1
        180      1
        454      1
        637      1
        657      1
        401      1
        407      1
        175      1
        743      1
        512      1
        281      1
        475      1
        273      1
        702      1
        564      1
        357      1
        517      1
        708      1
        276      1
        552      1
        629      1
        365      1
        683      1
        482      1
        498      1
        604      1
        336      1
        204      1
        538      1
        303      1
         82      1
         83      1
        327      1
        592      1
        474      1
        621      1
        618      1
        537      1
        603      1
        588      1
         93      1
        558      1
         95      1
         96      1
         97      1
         98      1
        546      1
        100      1
        101      1
        574      1
        508      1
        104      1
        215      1
        671      1
        431      1
        109      1
        110      1
        427      1
        590      1
        317      1
        415      1
        331      1
        443      1
        611      1
        457      1
        693      1
        330      1
        122      1
        361      1
        579      1
        185      1
        573      1
        597      1
        469      1
        504      1
        661      1
        563      1
        326      1
        478      1
        527      1
        486      1
        302      1
        557      1
        494      1
        742      1
        371      1
        298      1
        544      1
        421      1
        347      1
        158      1
        360      1
        511      1
        450      1
        585      1
        580      1
        679      1
        316      1
        741      1
        617      1
        578      1
        177      1
        322      1
        182      1
        644      1
        186      1
        536      1
        188      1
        740      1
        737      1
        196      1
        551      1
        315      1
        490      1
        526      1
        203      1
        676      1
        207      1
        208      1
        209      1
        497      1
        568      1
        213      1
        216      1
        534      1
        343      1
        334      1
        473      1
        370      1
        472      1
        391      1
        256      1
        449      1
        654      1
        339      1
        496      1
        680      1
        522      1
        364      1
        396      1
        477      1
        277      1
        687      1
        643      1
        400      1
        356      1
        697      1
        395      1
        340      1
        665      1
        655      1
        688      1
        520      1
        299      1
        647      1
        301      1
        730      1
        376      1
        678      1
        310      1
        440      1
        530      1
        320      1
        468      1
        325      1
        329      1
        333      1
        348      1
        349      1
        350      1
        353      1
        354      1
        355      1
        358      1
        409      1
        399      1
        368      1
        369      1
        373      1
        715      1
        425      1
        380      1
        712      1
        453      1
        385      1
        388      1
        389      1
        506      1
        398      1
        405      1
        404      1
        408      1
        413      1
        418      1
        419      1
        423      1
        567      1
        677      1
        636      1
        439      1
        446      1
        448      1
        451      1
        456      1
        461      1
        606      1
        466      1
        467      1
        471      1
        476      1
        481      1
        485      1
        495      1
        500      1
        501      1
        502      1
        503      1
        505      1
        510      1
        542      1
        581      1
        540      1
        566      1
        735      1
        550      1
        555      1
        577      1
        560      1
        565      1
        570      1
        575      1
        576      1
        595      1
        630      1
        635      1
        645      1
        675      1
        711      1
        734      1
        739      1
**************************************************
     Basis set for H 
--------------------------------------------------
        133      4
        357      4
        619      4
        460      4
        470      4
        445      4
        180      4
        484      4
         89      4
        387      4
        614      3
        669      4
        128      4
        162      4
        128      3
        118      4
        245      4
        170      4
        205      4
        357      3
        273      4
        504      4
        604      2
        276      4
        245      3
        200      4
        437      4
        215      4
        639      4
        367      4
        564      3
        263      4
        504      3
        619      3
        563      4
        180      3
        250      4
        594      4
        250      3
        694      3
        549      4
        693      4
        609      4
        499      4
        629      4
        593      3
        514      4
        579      4
         24      2
        693      3
         24      4
        668      4
        392      4
        167      4
        450      4
        157      4
        733      3
        544      4
        392      3
        589      3
        699      3
        679      4
        534      4
        524      4
        205      3
        460      3
        624      4
         30      3
         30      4
        584      2
        387      2
        392      2
        407      4
        524      3
        480      4
        445      3
        684      4
        391      4
        195      4
        639      3
        108      3
        323      2
        175      4
        589      2
        539      3
        588      4
        118      3
        524      2
         38      2
        402      4
        559      2
         39      2
        713      3
        569      3
        328      3
        437      2
        465      4
        539      2
        634      3
        185      4
        391      2
        569      2
        185      3
        509      3
        563      3
        138      4
        704      3
        318      4
        273      3
        352      4
        179      4
        509      2
        523      4
        357      2
        407      3
        262      3
        148      4
        494      4
        644      3
        624      2
         49      2
        179      3
        128      2
         50      2
        649      3
        356      4
        475      4
        220      3
        679      3
        609      2
        210      4
        679      2
        268      3
        339      4
        475      3
        623      4
        427      3
        422      4
        533      4
        210      3
        684      3
        291      3
        745      4
        175      3
        215      3
        523      3
        166      4
        153      4
        554      2
        337      3
        215      2
         60      2
         60      3
        366      4
        553      4
        286      4
        412      4
         62      2
        494      3
        519      4
         63      2
        235      3
        573      3
         64      2
        214      4
        668      3
         65      2
        352      3
        484      3
         66      2
        255      3
        240      3
         67      2
        194      4
        634      2
        659      3
        214      3
        484      2
         69      2
        161      4
        225      3
         70      2
        382      4
        356      3
        689      4
        230      3
        533      3
         72      2
        148      3
        639      2
        427      2
        148      2
        664      4
        738      3
        230      2
        445      2
         75      2
         75      3
        654      4
         76      2
        514      2
        465      3
         77      2
        480      3
        538      3
         78      2
        249      3
        743      4
         79      2
        678      3
        318      3
         80      2
        684      2
        499      2
         81      2
        450      3
        498      4
        638      4
         82      3
        683      4
        613      4
         83      3
         83      4
         84      2
        678      2
         86      2
        558      4
        549      3
         87      2
        613      3
        281      3
         88      2
         88      3
        633      2
         89      2
         89      3
         90      2
         90      3
        689      3
         91      2
         91      3
         92      2
         93      2
        558      3
         93      4
        613      2
        612      3
         95      2
        638      3
         95      4
         96      2
         96      3
         96      4
         97      2
         97      3
         97      4
         98      2
        629      2
         98      4
         99      2
        743      3
        100      2
        568      4
        101      2
        101      3
        101      4
        102      2
        102      3
        674      4
        103      2
        263      3
        417      2
        104      2
        503      4
        104      4
        538      2
        654      2
        209      4
        568      3
        544      3
        322      2
        532      4
        632      4
        200      2
        494      2
        109      2
        109      3
        465      2
        689      2
        110      3
        298      4
        469      4
        111      3
        111      4
        632      2
        166      3
        174      4
        113      2
        114      2
        513      4
        673      4
        115      2
        318      2
        366      3
        185      2
        229      3
        588      3
        573      2
        339      3
        117      4
        118      2
        119      2
        366      2
        523      2
        308      3
        599      3
        637      4
        708      4
        273      2
        583      4
        122      2
        122      3
        122      4
        623      3
        124      2
        583      2
        628      4
        442      4
        553      3
        337      2
        513      3
        498      3
        618      4
        469      3
        298      3
        129      2
        129      3
        593      2
        130      2
        513      2
        130      4
        432      2
        562      3
        537      4
        132      2
        132      3
        132      4
        134      2
        693      2
        134      4
        184      4
        331      4
        578      4
        327      3
        136      3
        290      3
        276      3
        688      4
        260      3
        618      3
        139      4
        673      3
        254      4
        140      4
        663      3
        141      3
        141      4
        480      2
        199      4
        367      3
        190      2
        347      4
        431      4
        144      4
        402      2
        362      2
        145      4
        259      3
        308      2
        146      4
        706      3
        529      4
        147      4
        401      4
        568      2
        149      4
        286      3
        599      2
        150      4
        372      3
        254      3
        151      4
        474      4
        553      2
        152      4
        544      2
        244      3
        154      4
        204      4
        155      4
        708      3
        156      4
        158      2
        572      4
        158      4
        529      3
        317      4
        159      4
        339      2
        313      2
        160      4
        214      2
        436      4
        249      2
        737      4
        503      3
        643      4
        164      4
        377      2
        723      4
        165      4
        548      4
        224      3
        239      3
        168      4
        401      3
        552      4
        169      4
        498      2
        479      4
        458      4
        171      4
        699      2
        172      3
        172      4
        493      4
        673      2
        173      4
        603      2
        367      2
        176      2
        522      4
        176      4
        618      2
        177      3
        177      4
        347      3
        458      3
        178      4
        179      2
        728      4
        529      2
        668      2
        182      2
        182      3
        182      4
        331      2
        183      3
        183      4
        184      2
        186      2
        186      3
        186      4
        483      4
        188      2
        188      3
        608      2
        189      2
        401      2
        598      3
        552      3
        191      4
        192      2
        361      4
        192      4
        552      2
        346      3
        193      4
        194      2
        196      2
        528      4
        196      4
        197      2
        723      3
        197      4
        198      2
        722      4
        198      4
        199      2
        450      2
        201      2
        677      3
        474      3
        653      3
        202      3
        667      4
        703      3
        203      3
        203      4
        204      2
        204      3
        206      2
        206      3
        206      4
        548      2
        207      3
        207      4
        588      2
        208      3
        208      4
        421      2
        420      4
        211      2
        211      3
        211      4
        212      2
        212      3
        212      4
        213      2
        213      3
        213      4
        216      2
        637      3
        216      4
        643      3
        217      3
        365      4
        272      4
        218      3
        572      3
        522      3
        219      3
        698      3
        352      2
        221      3
        276      2
        356      2
        222      3
        372      2
        558      2
        223      3
        293      3
        226      3
        228      3
        489      4
        227      3
        303      3
        351      3
        557      3
        231      3
        361      2
        317      3
        232      3
        275      3
        267      3
        233      3
        648      4
        234      2
        234      3
        587      4
        236      3
        431      3
        602      2
        237      3
        297      3
        238      3
        508      4
        241      2
        241      3
        652      4
        662      4
        242      3
        280      3
        347      2
        243      3
        713      2
        246      3
        431      2
        547      4
        247      3
        672      4
        416      2
        248      3
        607      2
        728      3
        251      3
        251      4
        407      2
        252      3
        289      3
        623      2
        253      3
        543      4
        256      2
        256      3
        302      4
        258      3
        257      3
        386      2
        261      3
        263      2
        397      4
        264      3
        406      4
        543      3
        265      3
        442      2
        658      3
        266      3
        642      4
        272      3
        269      3
        622      4
        479      2
        270      3
        489      2
        406      3
        271      3
        406      2
        478      4
        274      3
        512      4
        376      3
        277      2
        277      3
        277      4
        278      2
        278      3
        278      4
        718      4
        279      3
        745      3
        302      3
        285      3
        282      3
        411      4
        292      3
        283      3
        283      4
        743      2
        284      3
        497      4
        390      4
        287      3
        287      4
        344      3
        288      3
        742      4
        488      2
        648      3
        294      3
        294      4
        376      2
        295      3
        302      2
        702      4
        296      3
        478      2
        557      2
        299      3
        508      3
        382      2
        300      3
        642      3
        728      2
        301      3
        301      4
        304      2
        304      3
        304      4
        385      3
        305      3
        305      4
        306      2
        306      3
        312      3
        309      2
        309      3
        657      3
        547      3
        487      4
        702      3
        311      2
        311      3
        642      2
        312      2
        314      2
        449      4
        397      2
        315      2
        315      3
        315      4
        316      2
        316      3
        316      4
        317      2
        319      2
        319      3
        319      4
        320      2
        320      3
        320      4
        321      2
        321      3
        324      2
        325      2
        652      3
        651      4
        326      2
        326      3
        578      3
        508      2
        329      2
        708      2
        435      4
        330      2
        330      3
        330      4
        333      2
        333      3
        336      3
        334      2
        334      3
        335      2
        335      3
        335      4
        336      2
        338      2
        338      3
        483      2
        340      2
        340      3
        662      3
        341      2
        341      3
        677      2
        688      3
        342      3
        343      3
        497      3
        345      2
        345      3
        348      2
        348      3
        348      4
        705      3
        349      3
        349      4
        350      2
        350      3
        688      2
        351      2
        353      2
        353      3
        712      4
        365      2
        354      3
        354      4
        543      2
        355      3
        355      4
        358      2
        358      3
        358      4
        359      2
        360      2
        551      4
        363      2
        722      3
        363      4
        364      2
        364      3
        364      4
        368      2
        701      2
        369      2
        369      3
        370      2
        370      3
        370      4
        371      2
        371      4
        373      2
        373      3
        373      4
        374      2
        374      3
        718      3
        375      2
        667      3
        375      4
        378      2
        577      4
        379      2
        381      4
        381      2
        380      2
        383      2
        712      3
        383      4
        384      2
        493      2
        384      4
        385      2
        388      2
        672      3
        388      4
        389      2
        389      3
        389      4
        390      2
        519      3
        732      3
        396      4
        393      4
        394      2
        396      2
        394      4
        395      2
        395      4
        398      2
        398      3
        398      4
        399      2
        717      4
        399      4
        400      2
        400      3
        400      4
        403      4
        404      2
        404      3
        404      4
        707      4
        405      3
        405      4
        408      2
        408      3
        408      4
        409      2
        409      3
        409      4
        410      4
        413      4
        414      2
        597      4
        415      2
        449      3
        418      2
        419      2
        419      3
        419      4
        420      2
        547      2
        423      2
        567      4
        423      4
        426      3
        562      2
        597      3
        542      4
        430      3
        546      4
        628      2
        429      2
        433      2
        433      3
        433      4
        434      2
        571      4
        676      4
        606      2
        438      4
        439      3
        440      3
        441      2
        474      2
        443      2
        542      3
        443      4
        444      2
        446      2
        446      3
        446      4
        447      2
        449      2
        447      4
        448      3
        742      3
        451      3
        451      4
        507      4
        452      3
        463      4
        456      2
        456      3
        456      4
        457      2
        457      3
        457      4
        458      2
        461      2
        461      3
        461      4
        744      4
        462      4
        463      2
        463      3
        687      4
        466      3
        468      4
        596      4
        467      3
        467      4
        561      2
        471      2
        471      3
        471      4
        472      2
        472      3
        472      4
        473      2
        473      3
        476      2
        528      2
        476      4
        477      2
        477      3
        477      4
        481      2
        481      3
        481      4
        482      2
        518      3
        482      4
        485      2
        485      3
        485      4
        486      2
        486      3
        486      4
        487      2
        490      2
        490      3
        490      4
        491      2
        556      3
        627      2
        492      2
        495      2
        495      3
        495      4
        742      2
        741      4
        496      4
        497      2
        692      4
        500      3
        503      2
        592      4
        537      3
        501      4
        502      2
        505      2
        587      3
        505      4
        506      2
        506      3
        506      4
        507      3
        510      2
        510      3
        510      4
        511      2
        647      4
        511      4
        512      2
        515      2
        731      3
        527      3
        516      2
        517      2
        647      3
        520      2
        520      3
        520      4
        521      2
        521      3
        521      4
        522      2
        525      2
        525      3
        525      4
        526      2
        526      3
        526      4
        527      2
        530      2
        530      3
        530      4
        531      4
        535      2
        535      3
        535      4
        536      2
        537      2
        536      4
        540      2
        542      2
        540      4
        541      2
        541      3
        637      2
        737      3
        545      4
        546      2
        546      3
        550      2
        550      3
        550      4
        551      2
        551      3
        555      2
        555      3
        555      4
        556      2
        560      2
        560      3
        560      4
        565      2
        567      3
        565      4
        566      2
        567      2
        570      2
        570      3
        577      2
        571      2
        571      3
        575      2
        575      3
        576      4
        576      3
        580      2
        580      3
        580      4
        581      2
        582      2
        585      2
        585      3
        683      2
        586      2
        586      3
        587      2
        590      2
        590      3
        591      4
        591      3
        595      2
        595      3
        595      4
        596      2
        596      3
        600      2
        737      2
        600      4
        601      2
        605      2
        605      4
        617      3
        736      3
        610      4
        615      2
        615      3
        617      2
        616      2
        622      2
        620      3
        620      4
        621      4
        621      3
        626      4
        626      3
        625      4
        631      4
        631      2
        630      4
        636      4
        635      3
        635      4
        666      4
        640      3
        662      2
        697      3
        641      3
        641      4
        647      2
        645      3
        645      4
        646      3
        646      4
        651      3
        650      3
        650      4
        682      2
        702      2
        655      3
        655      4
        741      3
        656      3
        661      3
        660      3
        660      4
        661      2
        665      2
        665      3
        665      4
        672      2
        671      4
        670      4
        675      2
        675      3
        675      4
        676      2
        676      3
        680      2
        681      2
        685      2
        685      3
        687      3
        686      2
        741      2
        686      4
        687      2
        690      2
        690      3
        692      2
        691      3
        695      3
        717      3
        696      2
        696      3
        697      2
        701      3
        700      3
        707      3
        727      3
        709      3
        711      3
        710      2
        710      3
        731      2
        716      3
        714      3
        716      2
        715      4
        715      3
        721      3
        719      3
        720      3
        727      2
        724      3
        726      3
        725      3
        730      4
        729      3
        730      3
        735      4
        734      3
        735      3
        735      2
        739      2
        739      3
        739      4
        740      2
        740      3
        740      4
**************************************************
     Basis set for Cl
--------------------------------------------------
          1      5
        723      5
         17      6
        658      5
        210      6
        529      5
        170      6
         14      6
        170      5
         37      5
         12      5
        166      6
         13      5
        523      6
         14      5
        506      5
         16      5
        544      6
         17      5
         18      5
        407      6
         19      5
        579      6
         20      5
         20      6
         21      5
         21      6
         22      5
        180      6
         23      5
        281      6
         24      5
         24      6
         25      5
        402      5
         26      5
        648      6
         27      5
        273      6
         28      5
        593      6
         29      5
        291      5
        693      6
         32      5
         34      5
        230      6
         35      5
        281      5
         36      5
         36      6
        708      6
         39      5
        260      5
         40      5
        733      5
         41      5
        180      5
         42      5
        293      6
         43      5
         44      5
         45      5
        470      6
         46      5
        347      6
         47      5
        215      6
         50      5
        250      6
         51      5
        308      5
         52      5
         54      5
         55      5
         56      5
        484      6
         57      5
         57      6
         58      5
        427      6
         59      5
        549      6
         60      5
        327      6
         61      5
        333      5
         62      5
        387      6
         63      5
        708      5
         64      5
        504      5
         65      5
        484      5
         66      5
        255      6
         67      5
         68      5
        468      6
         69      5
        442      5
         71      5
        219      5
         72      5
        157      5
         73      5
         76      5
         77      5
         78      5
         80      6
         83      6
         92      6
         94      5
         94      6
         95      5
         95      6
         96      5
         96      6
         97      5
        101      6
        102      6
        103      5
        503      5
        104      5
        104      6
        105      5
        106      5
        107      5
        108      5
        108      6
        109      5
        564      5
        110      5
        427      5
        111      5
        558      6
        112      5
        113      5
        115      5
        116      5
        117      5
        119      6
        120      5
        120      6
        121      5
        122      5
        122      6
        124      6
        125      5
        126      5
        128      6
        130      5
        131      5
        618      6
        134      5
        135      5
        136      5
        137      5
        432      6
        138      5
        139      5
        140      5
        141      5
        143      5
        144      5
        145      5
        454      6
        146      5
        268      5
        147      5
        366      6
        148      5
        152      5
        416      5
        155      5
        225      5
        156      5
        401      6
        158      5
        737      6
        159      5
        704      6
        160      5
        616      6
        161      5
        303      6
        162      5
        164      5
        227      5
        171      5
        172      6
        173      5
        174      5
        175      5
        177      6
        576      5
        181      5
        182      5
        182      6
        184      5
        188      5
        190      5
        191      5
        193      5
        194      5
        194      6
        197      5
        198      5
        234      5
        199      5
        201      6
        635      6
        732      5
        563      6
        209      5
        209      6
        210      5
        215      5
        344      6
        218      5
        218      6
        221      5
        528      6
        222      5
        408      6
        223      5
        669      5
        224      5
        226      5
        568      5
        231      5
        624      5
        232      5
        276      6
        233      5
        233      6
        539      6
        237      5
        240      5
        242      5
        377      6
        243      5
        244      5
        245      5
        538      6
        246      5
        247      5
        248      5
        672      5
        252      5
        253      5
        534      6
        254      5
        254      6
        255      5
        256      5
        257      5
        261      5
        332      5
        262      5
        263      5
        401      5
        264      5
        264      6
        265      5
        265      6
        266      5
        266      6
        267      5
        662      6
        269      5
        574      6
        270      5
        270      6
        271      5
        271      6
        272      5
        272      6
        273      5
        274      5
        382      6
        275      5
        275      6
        276      5
        277      5
        277      6
        278      5
        278      6
        567      6
        280      5
        282      5
        397      6
        283      5
        706      6
        284      5
        392      6
        285      5
        377      5
        286      5
        286      6
        288      5
        533      6
        289      6
        290      5
        362      5
        292      5
        293      5
        294      5
        294      6
        295      5
        704      5
        296      5
        718      5
        297      5
        397      5
        298      5
        298      6
        299      5
        299      6
        301      5
        302      5
        302      6
        303      5
        304      6
        305      5
        305      6
        306      5
        307      5
        309      5
        310      5
        311      5
        311      6
        312      5
        392      5
        313      5
        314      5
        317      5
        318      5
        318      6
        324      5
        325      5
        329      5
        330      5
        722      6
        331      5
        331      6
        338      5
        339      5
        683      6
        341      5
        342      5
        343      5
        343      6
        344      5
        345      5
        571      6
        346      5
        347      5
        348      5
        348      6
        349      5
        349      6
        353      5
        354      5
        358      6
        359      5
        361      6
        363      5
        365      6
        366      5
        367      5
        367      6
        371      5
        372      5
        373      5
        373      6
        374      5
        726      6
        375      5
        382      5
        376      5
        376      6
        378      5
        378      6
        379      5
        379      6
        380      5
        380      6
        381      5
        381      6
        383      5
        383      6
        384      5
        384      6
        385      5
        385      6
        386      5
        386      6
        387      5
        388      5
        388      6
        389      5
        389      6
        390      5
        390      6
        391      5
        391      6
        393      5
        393      6
        394      5
        395      5
        395      6
        396      5
        396      6
        398      5
        398      6
        399      5
        399      6
        400      5
        400      6
        403      5
        404      6
        407      5
        408      5
        413      6
        418      6
        422      5
        423      5
        426      6
        424      5
        424      6
        425      5
        460      6
        428      5
        428      6
        430      5
        431      5
        433      6
        436      5
        437      5
        441      6
        443      5
        444      5
        445      5
        445      6
        448      6
        451      6
        453      5
        454      5
        462      5
        464      5
        464      6
        465      5
        465      6
        466      5
        467      5
        467      6
        468      5
        480      6
        481      6
        483      5
        485      6
        487      5
        488      5
        489      5
        490      6
        492      5
        495      5
        496      5
        499      5
        500      6
        501      5
        501      6
        502      5
        502      6
        510      5
        511      5
        513      5
        518      6
        519      5
        519      6
        520      6
        521      6
        522      5
        522      6
        525      6
        526      5
        526      6
        528      5
        527      6
        531      6
        532      6
        644      6
        535      6
        536      5
        537      5
        537      6
        540      6
        541      5
        542      5
        551      5
        551      6
        555      6
        556      6
        557      6
        560      6
        562      6
        565      5
        565      6
        566      5
        566      6
        567      5
        575      6
        590      6
        737      5
        607      5
        608      5
        615      6
        622      6
        623      5
        625      5
        626      5
        627      5
        629      6
        631      6
        635      5
        647      5
        647      6
        650      6
        652      6
        653      5
        655      6
        660      6
        734      6
        670      5
        671      5
        678      6
        679      6
        693      5
        700      5
        703      6
        713      6
        702      5
        702      6
        703      5
        705      5
        706      5
        707      5
        721      6
        709      6
        710      5
        713      5
        711      5
        711      6
        712      5
        712      6
        714      5
        714      6
        715      5
        717      6
        716      5
        716      6
        717      5
        721      5
        724      5
        724      6
        725      5
        726      5
        734      5
        744      5
**************************************************
     Configuration num.      1
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9133137099999828        7.1136492400000293        5.7803795999999750     
   5.8198223099999780        8.1598210599999845        5.4696901699999785     
   4.9222212999999613        6.6595423199999857        5.8897896899999864     
   6.4781039799999576        7.0380847899999708        6.7158638500000336     
   4.3282472600000403        8.7515139599999827        7.8074320200000216     
   6.8415789700000005        6.1871328899999583        4.4684204900000282     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.109577924747555     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9079286580600083E-002  -3.0236169657090084E-002  -5.7871108909285408E-002
   3.7989378345101840E-002 -0.15332461109768036        9.4983225269198931E-003
  0.14872449883393679        3.6386437192608811E-002  -4.6496850970462182E-002
  -4.8597355368643631E-002  -1.6161251420823879E-003 -0.13541761361875820     
  -2.9942180388223345E-002   2.8561111104059123E-002   4.1905803476327198E-002
 -0.12648804829950316       0.12033827588469237       0.18758315959740224     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.71869165834545168      -0.71016688622236079      -0.69651728253169898     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   5.8737780484248305E-002  -8.0597911584748244E-002   9.1223613732707487E-002
**************************************************
     Configuration num.      2
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9210679321001507        7.1210019837420342        5.7802877585507737     
   5.8329571238737605        8.1523404131034258        5.4778196930253351     
   4.9346967093750198        6.6365506591154002        5.8849625860956687     
   6.4657872773934573        7.0289777127275590        6.7103548897242886     
   4.3247351425975120        8.7546148509651580        7.8095543783952373     
   6.8409642139584053        6.1860065494290808        4.4665782002101544     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.101073410279469     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.43279607807382892      -0.83153072563929475      -0.20545812830770502     
  -6.1944879459862018E-002  0.35987531634484132      -0.15667219090224194     
  0.31328252345026952       0.29472148796051234       -8.9810991696850848E-002
  0.25886621145459898       -1.5217552013397874E-003  0.23619465285443525     
  -1.9949724318782378E-002   2.2827763880249933E-002   3.5656022283784033E-002
  -5.6980254853146985E-002  0.15406391753076798       0.17943927099753004     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.65940576555449615      -0.38011969982601945      -0.34048006574462863     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.18230486234993470      -0.25057942347211565       0.33124688422411397     
**************************************************
     Configuration num.      3
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9284553497548940        7.1277064456764077        5.7800551730105196     
   5.8459424699085831        8.1457279922109702        5.4855713681477178     
   4.9479277492016296        6.6142700645545913        5.8799189123737010     
   6.4540949458726393        7.0198671237633503        6.7054157285082523     
   4.3212240746427319        8.7577154337186514        7.8116782092068551     
   6.8403338413915495        6.1849223581058235        4.4647848978217022     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.070192515931922     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.82166201121202675       -1.6115877162447316      -0.34950599060710102     
 -0.15822841882683408       0.87625083078576438      -0.31935553316366216     
  0.43195255855038783       0.54242484822640114      -0.12642682945206879     
  0.54615212776805155       -1.0791072988940501E-002  0.59723675043880065     
  -1.0481488660236805E-002   1.7280874602113749E-002   2.9673124181988923E-002
   1.2648926439881993E-002  0.18415957160374724       0.16832959989660395     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.57868368347736698       -6.4162638320465579E-002   5.2376879392911331E-003
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.41354640962944195      -0.42075631052206391       0.54226568900050298     
**************************************************
     Configuration num.      4
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9351627329908414        7.1331367636505041        5.7795670140422164     
   5.8585461091993603        8.1412294346105494        5.4925527203125490     
   4.9622006771218103        6.5932981007153826        5.8745702853302069     
   6.4437199669612406        7.0107307353040476        6.7019171865594291     
   4.3177169359092753        8.7608140322469428        7.8138014989894380     
   6.8397068100055458        6.1838885803376620        4.4630375013253927     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.027180931978588     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1027195710452644       -2.2697031875202045      -0.46850680121289617     
 -0.24314300271623912        1.3117166220575385      -0.45235835861402196     
  0.48300606079059161       0.75838337630902308      -0.15423021081253480     
  0.78385573596441782       -2.2662420144269696E-002  0.89818272486950845     
  -2.2382689800182947E-003   1.2253038609283416E-002   2.4193211298008735E-002
   8.1295315665131651E-002  0.20795430869472156       0.15299460121853078     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.47037132020848121       0.17886630722366445       0.29466407173690462     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.60789027480426605      -0.56186549343107317       0.69834366740958420     
**************************************************
     Configuration num.      5
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9409633789475915        7.1367650527139741        5.7787287301585391     
   5.8705632495812603        8.1398951208014232        5.4984428961146881     
   4.9776386740381726        6.5741556674484327        5.8688496065797251     
   6.4352357463869110        7.0015398913069848        6.7005851525653304     
   4.3142163303226466        8.7639089814380338        7.8159223550467125     
   6.8391018328352207        6.1829116743122041        4.4613318083148723     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.986804454327288     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2454683079907309       -2.7063577523913738      -0.54207870020328486     
 -0.30972849786473189        1.5756870635097859      -0.52908223931040899     
  0.45408163863667284       0.92499612210721494      -0.17211216187709452     
  0.94787351046999035       -2.7226594729848251E-002   1.0913719334820449     
   5.2916381379860995E-003   7.3044238782024656E-003   1.9225704690315901E-002
  0.14836571486721895       0.22346828295157606       0.13340389989011825     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.32785283683779848       0.29345994088809713       0.48957055007113587     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.74146823804682982      -0.64341950659044733       0.78035797331468315     
**************************************************
     Configuration num.      6
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9457414830211599        7.1382415178471827        5.7774824306699211     
   5.8818332414671985        8.1423617896539149        5.5030567812962987     
   4.9941719338695210        6.5572446639422566        5.8627136964073303     
   6.4290378802512604        6.9922835895126214        6.7018855784584463     
   4.3107246451603851        8.7669986104924558        7.8180389487415747     
   6.8385371236061987        6.1819958732293836        4.4596624461532652     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.961339903440830     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2358394580524390       -2.8506285647820055      -0.55620328411027575     
 -0.35561278356423520        1.6024210898297866      -0.53263166175474475     
  0.34057521570246591        1.0293319189105095      -0.17901685755651114     
   1.0249028374055427       -1.4954006714514164E-002   1.1446410210499955     
   1.3763799989333724E-002   6.8053219292594992E-004   1.3158002583664178E-002
  0.21424408533165945       0.23043301181990883       0.10938561979605378     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.15369760806467084       0.23607339649476144       0.56003226328046585     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.80009985276711493      -0.64251800102506840       0.77870747537646823     
**************************************************
     Configuration num.      7
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9495033459081945        7.1374514966876470        5.7758183962544205     
   5.8922452413975055        8.1486939869144965        5.5063859560450190     
   5.0115264995873563        6.5428168217119023        5.8561460416363538     
   6.4253120090395948        6.9829914927591199        6.7059470982126870     
   4.3072444558126097        8.7700807745784477        7.8201492609380168     
   6.8380304426501342        6.1811431371478003        4.4580230266439473     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.954474352006855     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0701610471527299       -2.6858598447631383      -0.50284181111476278     
 -0.38257110604863365        1.3781656643332882      -0.46251929824909721     
  0.14510704975441685        1.0636346327451398      -0.17486875349407671     
   1.0147667988767024        1.8147811500569599E-002   1.0512143745719171     
   1.5296975557733563E-002  -3.1026118354689778E-004   1.1932071162856767E-002
  0.27640718201486147       0.22437326944970726        7.7211070248580788E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   5.0989508129477494E-002  -2.1115462261561899E-003  0.49898350948308706     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.78105350488517156      -0.55444770046991954       0.69554226263868368     
**************************************************
     Configuration num.      8
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9523809092530913        7.1345286754526986        5.7737811651983701     
   5.9017345463724755        8.1583506905748671        5.5085994598913350     
   5.0292312000873736        6.5309547952931899        5.8491565672496950     
   6.4240340073335132        6.9737433588627056        6.7125442735639540     
   4.3037770079294635        8.7731546306945969        7.8222522748852894     
   6.8375990264481201        6.1803517347724339        4.4564047209856916     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.959613111405591     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.76472631448171802       -2.2526605269137212      -0.38434335285541854     
 -0.39739891803770061       0.94657515146391391      -0.33684910339409041     
 -0.12577655080712363        1.0272302686237760      -0.15903088958296888     
  0.93023555623712573        7.1013301842082863E-002  0.82907478013813418     
   1.9020428703300805E-002  -3.8300736484208355E-003   8.9474303620788002E-003
  0.33794229350667981       0.21154151358865678        4.2417240513813417E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.28337109492905427      -0.38158446770652293       0.32454331806617404     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.69258668031376192      -0.39420467341683357       0.54496290457472918     
**************************************************
     Configuration num.      9
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9546177864498979        7.1298225537950879        5.7714679673303637     
   5.9102653439330526        8.1702906723680790        5.5100004170309926     
   5.0466325823685061        6.5215705978532759        5.8417834672855209     
   6.4249999287492123        6.9646665317260856        6.7211412653400018     
   4.3003238512804396        8.7762184691286009        7.8243464651476344     
   6.8372595692974523        6.1796180065791102        4.4547980613635323     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.964558460575976     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.34685456076542276       -1.6371575960197771      -0.21205889429556959     
 -0.40646150728809294       0.39194662794778323      -0.18284945550621629     
 -0.45599138222851998       0.92491235141994332      -0.13281475811335186     
  0.79262385171840877       0.13545633092503373       0.51771778439612226     
   1.9827055288776298E-002  -5.1402064889845443E-003   7.7009073436285829E-003
  0.39502306861423131       0.18982789844215875        1.7846307575584421E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.54223829507619159      -0.83709310610635623        7.3690345779083885E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.55208637949363137      -0.19065754505258231       0.34749199253376345     
**************************************************
     Configuration num.     10
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9565478354705119        7.1238295323333789        5.7690196281954824     
   5.9178158887753325        8.1831760971561334        5.5109603698562459     
   5.0629342393001044        6.5144174274606339        5.8340900533369267     
   6.4278779504576029        6.9559164589502531        6.7309871139533231     
   4.2968859844887248        8.7792712631679244        7.8264307575686631     
   6.8370277124348746        6.1789360543387399        4.4531920768822868     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.958375895592098     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.13814220498871538      -0.93703951558982601       -4.6959334684411672E-003
 -0.41384078288855825      -0.19522354843974965       -2.7647476173593154E-002
 -0.82221153025712146       0.77178685778229883       -9.7383704656164138E-002
  0.62539047369769907       0.20258294285238065       0.16263406155366378     
   2.2055682647461404E-002  -7.6049038218913428E-003   5.7453857432516100E-003
  0.45005050890124670       0.16526877746864183       -3.7932731765337672E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.80461491170550725       -1.3069167061173066      -0.22034653256722253     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.38142428215028901        2.4933811629398946E-002  0.12498565948804874     
**************************************************
     Configuration num.     11
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9585583367454555        7.1171142631449271        5.7666052520449496     
   5.9243682367578119        8.1955906401561336        5.5118535601508833     
   5.0772526549362578        6.5091259327072173        5.8261616638202449     
   6.4322645390086466        6.9476550664344172        6.7412251843564075     
   4.2934646168639183        8.7823115827476883        7.8285035802222787     
   6.8369182776031305        6.1782992119061717        4.4515758471043059     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.937126109955440     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.63100527376060844      -0.24974653680372066       0.21433961088909809     
 -0.41979216956590665      -0.73777372838795241       0.10897431201925614     
  -1.1849120293959041       0.59392019467380108       -5.6166982975635084E-002
  0.45068242367953576       0.26277496397926392      -0.19182821010526013     
   2.1165801211428172E-002  -7.2946047592371208E-003   5.2213379360210015E-003
  0.50050728429642999       0.13731213229778771       -8.1074953205906963E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0566345317475172       -1.7307612007695896      -0.51273822273872338     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.20769931347779919       0.22521848736753766       -9.9630837479039863E-002
**************************************************
     Configuration num.     12
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   2.0000000000000000E-003
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9610428934932669        7.1102314045630530        5.7644038554700723     
   5.9299081268799441        8.2062256571089858        5.5130096653199194     
   5.0887130420746400        6.5052671343720085        5.8180978464592981     
   6.4377383699349027        6.9400276040956070        6.7510005940324174     
   4.2900604289205067        8.7853387156425242        7.8305639065962289     
   6.8369450801674487        6.1776999409500046        4.4499377751044422     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.905071368919380     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0623864793486333       0.34780532619758087       0.42462827279204585     
 -0.42198695958267779       -1.1888739650992752       0.21636316075266671     
  -1.4974403836142889       0.42722369171130803       -1.1465597698985620E-002
  0.28557657952362347       0.31038203447817436      -0.51272567296773963     
   2.2700365758935963E-002  -8.6277002829182152E-003   3.6219460580206573E-003
  0.54773380777760849       0.11137538500737375      -0.11933608703887628     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2607332593400704       -2.0869642749029298      -0.78053563530569936     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.8511361999580944E-002  0.39301776801828564      -0.31004569254050268     
**************************************************
     Configuration num.     13
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.11243805837101135     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9875763297251678        7.0700892119200702        5.7237601638503399     
   5.9444359428532625        8.1978385567205514        5.5345799404286167     
   5.0947785107301229        6.4971403096387412        5.7863287279740003     
   6.4364707890898458        7.0184565676883306        6.7417246614010296     
   4.2750910661068033        8.7972183920797704        7.8477461430132633     
   6.8407448404731461        6.1724343090774134        4.4487223252520582     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.859094470559739     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.66642563708912483        1.6382927209579714        1.0487507795755584     
 -0.49269698161814474       -1.5695876344916013      -0.16200189895287265     
  -1.4222867169319391       0.37621086584225749       0.14804181298097616     
  0.29784278831355959      -0.30456271097737431      -0.59221369700428583     
   3.5483050413164435E-002  -3.7812305406389889E-003   3.7949579709941521E-005
  0.91388229378905461      -0.13670953360899668      -0.44224717430261778     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4904862078777261       -2.1947357615425562      -0.41241504696073494     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.46313094986908426       0.13475478271162181      -0.69784965753266348     
**************************************************
     Configuration num.     14
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.11063917008088675     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0175072701655514        7.0474154214288651        5.6640383117375803     
   5.9336320456896505        8.1283001507476911        5.5617021461029736     
   5.0462260867129567        6.5176406972119425        5.7780564386291227     
   6.3784223483193543        7.0207762045612263        6.7004556566138858     
   4.2705710273850572        8.8089841817803460        7.8622574170166759     
   6.8483709216222097        6.1736211164404677        4.4569734555460805     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.792542284020325     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9542368167360771       0.15187432573481682        2.2626521571246889     
 -0.37422607825124432       0.15402390209749139      -0.83726036437053952     
   5.2522544257568041E-002  0.91115935092503275      -0.19599377827943307     
  0.81103305370798162      -0.57790307442974842       -3.2436439035840967E-002
   4.4757060245322638E-002  -8.9447867793311323E-003  -1.0876043693403378E-002
   1.4193190354839034      -0.63143712187755974       -1.1853726027229459     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.78621848734182986      -0.27415574248922009       0.90559666700422647     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4775938229735386       0.19751771083706604      -0.66138974371254988     
**************************************************
     Configuration num.     15
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10913687690253056     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9374722191995657        7.0110282902512155        5.6626504564348679     
   5.9535383729831972        8.0988847387302805        5.5572026488530888     
   4.9678116062154052        6.6004430498754845        5.6870072874298705     
   6.3185877366596319        6.9458059258341107        6.6798886459452733     
   4.2871112650949454        8.8234865617217402        7.8508775945431548     
   6.8722975571418754        6.1738813570078790        4.4819242640154817     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.920687784843722     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.38701199066828462        1.4119291519741526        1.4740361487499025     
 -0.37712833532797224        7.6360292477158448E-002 -0.64766404045988513     
  -1.4808851152159606      -0.20363273972345272      -0.10372961843208080     
  0.41830534755386511      -0.60137662892858690       0.28146309764061561     
   2.5585249123178500E-002  -9.8539425789748569E-003  -9.6688667040837947E-003
   1.0269842806342584      -0.67314345327155323      -0.99342655698510185     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8174084258771042       0.19737669178530645       0.95396228992012733     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.58342113037826948       0.11923325649173118      -0.65537416253930469     
**************************************************
     Configuration num.     16
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10913687690253056     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8289666611427604        7.0583487212274365        5.7941751050897388     
   5.9829043189095845        8.0605186031279192        5.3713026224067812     
   4.7499597555038742        6.7075840779763451        5.5767191682799560     
   6.3266218313913596        6.7747903050666052        6.7275229099763889     
   4.2906362538245482        8.8263394976777700        7.8203121981617381     
   6.9258923466548463        6.1665322491233967        4.4959740755738018     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.839449467799341     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.72802514868121881      -0.49788133807368740       -1.8166447237802066     
 -0.24860622182118647        1.5126690454001607E-002   1.0120781854406840     
   1.7297385218955048       0.41992211285750608       0.79306106591090342     
 -0.59831566044094919       0.43153526359841626       -1.7897373207932991E-002
   3.4942710721922947E-002  -6.9694603097464669E-002  -6.7266966199371864E-002
 -0.18868201283149572      -0.29807477280069228        9.7266890844286399E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.7415538668145811      -0.57779125832575839       -1.2373361957437885     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.39456509905767573       0.46670590170089166      -0.42903961197603285     
**************************************************
     Configuration num.     17
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10615562242283264     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7247429614191283        7.0841361765103938        5.8319791763124798     
   5.9733088571081625        8.0674919197758523        5.3977168999820240     
   4.7073345283802386        6.7969330747909993        5.5945768206937387     
   6.2266077142907132        6.6884292453399077        6.7253812492989749     
   4.3400359586461299        8.8355559562286334        7.7971743329717418     
   6.9289781883732875        6.1474554644972477        4.5015510636390763     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.765429864213502     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4516499644914171        8.7060006200924661E-002  -1.3208383546324274     
 -0.23203911875907748      -0.17578960539764177        1.1262182068506665     
 -0.11284948838764937      -0.32402557953609795       0.21673145377082895     
 -0.61278807222770015       0.68794458362953459       -8.1001660067750308E-002
   5.3885367561453297E-002 -0.13623367300383712      -0.13175123217258369     
 -0.54726226584289583      -0.13732196635632093       0.19062274081293590     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3890896756738589      -0.89938652110473860       -1.4570475603861248     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.62736014906994897       0.58527075586272981       0.42764995879890100     
**************************************************
     Configuration num.     18
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10293375027848027     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7390514027696202        7.1086218866404600        5.8062971360466848     
   5.8819565563134875        8.1451313251786264        5.6043809824781743     
   4.6645046276982809        6.8543448045674094        5.6389340501801968     
   6.0104798334364045        6.6722327653155302        6.7542467117316525     
   4.4041842686517558        8.8445093534213406        7.7637898633297331     
   6.8995062566787499        6.1167968100627963        4.5120579175072804     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.895053482767477     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.86619981062842921       -1.5658538988690787      -0.82436790833413465     
  0.54657459295907074       0.70812192888244230       0.14206770873295038     
  0.74098092694300899       -4.8438230781916503E-002 -0.35215072722304352     
  0.49803186896109808       0.35256971460179320       0.36287188602982023     
  -4.2601467455981742E-002  -2.6473233477432585E-002  -1.1476146722884061E-002
 -0.87612389059847862       0.58185542625515785       0.68358595725382032     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9088963411521158      -0.51218214220319447      -0.91887276500671089     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.90963866274289140      -0.59982958598626157        1.2300392742356396     
**************************************************
     Configuration num.     19
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.9997697493058021E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7664152206987804        7.1058177731051240        5.7621698142448450     
   5.8829052993610960        8.1943222998993352        5.7082356792223177     
   4.6537703568047153        6.8668101996670066        5.6411311366029961     
   5.9661345046134295        6.6932725668852857        6.7892859228345115     
   4.4070941567214392        8.8420847963321805        7.7624331291422832     
   6.8934332120222779        6.1108411319705223        4.5124457431420755     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.853963497009087     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2447372190423858       -1.2715077028518904       0.82548549964197626     
  0.45625560396923820      -0.23583588072728368      -0.19003747395194484     
   1.3815235050331371       0.13572980078925342      -0.55433217827179093     
  0.40833533203835432       0.53163680901978760      -0.91862272848464954     
  -7.3571525932912663E-002   3.2622422492818340E-002   4.0346338335391620E-002
 -0.92754494295497536       0.80948617293612612       0.79698675772264549     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6394986856243854       -1.6307856322451062       -2.0571556556869184     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.76048930824848782      -0.41597520594920978        1.1826274186064918     
**************************************************
     Configuration num.     20
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.9494370577330321E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7788139978246331        7.0892104609359761        5.7199557690788971     
   5.9076459486812123        8.2242393682096644        5.8461913362551412     
   4.7160930115512141        6.9045964280344876        5.6180781774516841     
   5.9237846460698158        6.7673551396118885        6.7736822355070005     
   4.4199217722934483        8.8312685202148842        7.7570073580178267     
   6.8713602436126910        6.1112866904855281        4.5209696118682050     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.784443529770439     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.36415285394420005       0.96583325241617712        1.5354249121950252     
  0.26571585879251308       -1.3204582626962960      -0.94260186199811569     
 -0.34835822626140278      -0.22577272368989154      -0.94436384473687829     
  0.61239810013947771      -0.32760017850124190      -0.50892163666036239     
  -8.6609507472528588E-002   8.2532441669095638E-002   9.1577115759927274E-002
 -0.81128035610916560       0.82594342579286262       0.76940345288576450     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.74177273182628600       -2.3282978915278845       -1.6159867913123245     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.77372047775107478       -1.2439410061446781        1.4253828018082926     
**************************************************
     Configuration num.     21
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10022296087461265     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7927032141160515        7.0986632657946886        5.7124358106881372     
   5.9346117947047867        8.1650480438169630        5.8972722853451112     
   4.7576021913641391        6.9370228537882079        5.5514997427104573     
   5.9149990338775194        6.8229155321291648        6.7256926718282237     
   4.4429234510917954        8.8126617320885341        7.7500056024976107     
   6.8369186011595584        6.1234421313444765        4.5376819819358953     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.760756153099237     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.39775362177770834       0.25455503394212997        8.0224497439404657E-002
  0.52262095474096959       0.53268097922780711       -1.1878781908632281     
  -1.1178890116645173      -0.27231553750112636      -0.84394495189676799     
  0.68934937351881187       -1.3136156566705062        1.2641272982124319     
 -0.10780234627044413       0.12089084509345398       0.14852722654350842     
 -0.38492361713936324       0.67860569019111761       0.53916006235688041     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.47272402720137657       -1.3788386183904938E-002  0.35562361537882525     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.70288711430138262       -1.6289219919475015        1.1418009821972370     
**************************************************
     Configuration num.     22
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10013660010838192     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7595854672607292        7.0192064799201335        5.7620074122733485     
   6.0439410761709134        8.1318169332382197        5.7446722670442822     
   4.7309399386597102        6.9851460841528370        5.3297673870617022     
   5.9922755640073539        6.7450292033070385        6.8121303862811144     
   4.4981329663650085        8.7950729392304137        7.7314788908393561     
   6.7748832325569550        6.1750571643313359        4.5718963400936481     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.852477748977886     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.9581513050518533E-002   2.5468869241835983       -7.0290631638624229E-002
 -0.33454458044308760       -1.3580772361486524       -9.6435310001834348E-002
  0.47206496014093918      -0.29010214349665442        1.0747376046695312     
 -0.67247345446495421      -0.42536117777541149      -0.64388653562980835     
 -0.17285124174770419       0.20593049983681205       0.25003723882543222     
  0.74540131472975135      -0.67960943893860881      -0.51545282596572761     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.25648526655448523      -0.86370391675499703      -0.45084161919338128     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0380014956100605       0.82418215041652620       -1.9395153708721455     
**************************************************
     Configuration num.     23
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
  0.10013660010838192     
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7295691353040548        7.0237110403055425        5.7903229024230267     
   6.0949831648547308        8.0511475812444750        5.6358770200964114     
   4.7312695889305916        7.0003160451841895        5.2704771028219337     
   6.0010658149734137        6.6444046865574098        6.8559062595152005     
   4.5257748792722161        8.7892781011602299        7.7231141296228785     
   6.7506226471382114        6.1980689193354577        4.5846934844547516     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.643626886043879     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.19494438881790344       0.88694402277279438       0.24034704164062171     
 -0.35073198664170624       -9.2791884360777926E-002  0.79266094613483262     
  0.43923341850033376      -0.29447341227849511        1.5833620888440354     
  -1.1873185737750593       0.58728204820108165       -1.8832530889515438     
 -0.19164398014487957       0.21134847879291319       0.25652336962230388     
   1.0957559723798340       -1.2984529268995399      -0.98915366393883508     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.7251772364281582E-002  0.59175183830425537       -1.5790636317675937     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0657858582947251        2.5282046083456837       -2.8629485159190420     
**************************************************
     Configuration num.     24
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.9187567031412821E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6980867531675701        7.0530454389023340        5.8337757505781651     
   6.1477461032296166        7.9561738300903038        5.5686430009031014     
   4.7491712333713565        7.0721767806942211        5.2966684063166829     
   5.9315619881064796        6.5656565916011571        6.7821335442820985     
   4.5520604441529038        8.7722530856907497        7.7064436858164411     
   6.7348719274905475        6.2166483584321490        4.5995967876675934     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.480808253380932     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.5141627618599495E-002 -0.57071109503366568       -1.1063000684697721     
  0.35243211550794756        2.1238550207633651        1.1983210388624814     
 -0.54517977684113184      -0.40944503160339207        1.0839069722677286     
 -0.67208911463159537       0.45916966318860697       -6.4906792701168059E-002
 -0.19929178140949461       0.19250506968354109       0.23353427556692039     
   1.1104327455329197       -1.7941729930290178       -1.3431377112985694     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2536388150417090        2.7665235136621495       0.61550539189719322     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.58177751509237607        2.4375627226867107       -1.9845466904279656     
**************************************************
     Configuration num.     25
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.9174043812142579E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7300440349430630        7.1064716441226699        5.8246112912041417     
   6.2497693322314651        8.0711527334362057        5.7161352981857245     
   4.7182758431583904        7.1726625095996814        5.4941024279364949     
   5.8337147891442864        6.5336672204502744        6.7410525674785031     
   4.5754942465708499        8.7499253639546808        7.6829607909630528     
   6.7036260507569647        6.2001753243703064        4.5919029965746887     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.848848193543063     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1487936230962563       0.58269057658177115      -0.29120590941177937     
 -0.56341855765985638      -0.21745401644082202       0.95860204255632731     
 -0.79420929431766329        1.8768897259254711E-003 -0.25463959418763255     
   6.2727947106651305E-002  0.43200813811964706       0.25501026028836465     
 -0.30791750403378554       0.32728777140628429       0.40694698511671529     
  0.45332241601272810       -1.1258681752212270       -1.0754069574347920     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.70654889402669208       0.54404689866365186        1.6979162968813968     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4135736026696728        2.2022813196428732      -0.66856641420900842     
**************************************************
     Configuration num.     26
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.9174043812142579E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7541852687961308        7.1295758493083898        5.8025334240501705     
   6.2563522749126257        8.1192407657101207        5.8169769028807261     
   4.7384712163166505        7.2040673512727089        5.5006204495772471     
   5.8765431140809348        6.5513008656012008        6.7732670558869197     
   4.5744879648991477        8.7449724996265275        7.6812972432913398     
   6.6886002075615627        6.1863424530801154        4.5852987193348191     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.901584985996351     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5952036057815082       -6.3211410906494264E-002   1.5299929652354025     
 -0.49674448502233037      -0.58046322444298082       0.31343098433898403     
 -0.92495171675527099        3.1106974645425247E-002 -0.27719954698747051     
 -0.27136808396818457       0.98358781484364544       -1.0529485052944845     
 -0.34250237901881564       0.38601617388071896       0.46493314487612081     
  0.43796765661162929      -0.75897376356327884      -0.97986120054289949     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.85585732943319026      -0.27944610040721640       0.63703978137893169     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2499972358453055        2.3552704888242713       -1.0550678352502052     
**************************************************
     Configuration num.     27
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.4998609082155280E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8135419885596038        7.1457664978114428        5.8047668157861008     
   6.2099721720681353        8.1749137725405987        6.0962888839553759     
   4.7473563117494226        7.2896907135560465        5.5205813784291653     
   5.8908901911814535        6.5454884569756606        6.7545353223525053     
   4.6065435850605656        8.7727565152138478        7.6720203604280064     
   6.6390470035614175        6.1377872271263074        4.5621667799910357     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.816399505085656     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.48559192038713955       0.38472619679615760        1.6983253978688215     
   4.8367726733381938E-002  -1.1546761959244456      -0.94482304559702279     
  0.65604864781248673      -0.23014811155426987       0.10268455460750736     
 -0.31944566226893117       0.51008821190195319      -0.82087768627977586     
 -0.37998629566592573       0.48817354592822737       0.58521473234373289     
  0.48119400562722914        2.0925668629611718E-003 -0.62124463919919282     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.34754491830918843       -1.1265952140022029       0.32548118227313838     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.69402822899936023        1.0119471145881129       -1.6197733232495899     
**************************************************
     Configuration num.     28
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.2211193860465918E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7842645329651798        7.1008904071248748        5.8071118081204007     
   6.1577689874224308        8.0367021656693058        6.2497828257005397     
   4.7722503619427261        7.1945725036313224        5.5179231761140182     
   5.7407565822925548        6.4956282791811146        6.6919170350763038     
   4.6630386879813237        8.8480712615045327        7.6867559152168008     
   6.6124907631490455        6.1096269304900526        4.5366836012623075     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.744500434082742     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.31926425182835361      -0.52878227117740750       0.84348373519869568     
  0.55355548078142869       0.24904482498520789       -1.0656472425387111     
  -1.1189440067235936       0.49082609404162386      -0.66835891158577443     
   9.1051666942123993E-002 -0.83595224051515127       0.59281500667738041     
 -0.31887178345765399       0.41628240413403700       0.53041217724783529     
  0.47372251206180288       0.20832832890813008      -0.23068810268285772     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4065191666563934       0.72884501704199245       0.99815002113611762     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.60124306912682024      -0.25374248603217231      -0.48822428311278604     
**************************************************
     Configuration num.     29
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.2211193860465918E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7069824296243095        6.9429473640932393        5.8785632721301653     
   6.3069474796201010        7.8684870470137653        6.0925252451673737     
   4.6935555096740806        7.2617328693050709        5.4168367135948783     
   5.5433738198934526        6.2361264879735039        6.7765867180797237     
   4.7107755212928240        8.9491389374932098        7.7151849541844708     
   6.6052535161379300        6.1027481825641772        4.5036426509182865     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.876489663241731     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2148694955964894       0.52826575556296551       -1.7785322607427753E-002
 -0.66567311384308692      -0.97584533138837359       0.18433982881798300     
   1.5385998059331591      -0.49340131307682872       0.92229073390763527     
  0.44925982776957679        1.1068736188108383       -1.3778013317594004     
 -0.17382203681487418       0.22374712038680283       0.26627345561479526     
   6.7498288872188783E-002 -0.38887865877453442        2.3100195600200171E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1505011942249883       -1.4218953258674043       -1.4740970236552402     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.76385774134741924        1.7706876976301504      -0.76412286223427861     
**************************************************
     Configuration num.     30
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.2211193860465918E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6894859108887808        6.9323922244074740        5.9075010895423823     
   6.4201612315655332        7.7517822737359259        6.0721884558464554     
   4.8630487929234087        7.3010234643994236        5.5192288045872191     
   5.5191089292606277        6.1368771995820017        6.7278346261202771     
   4.6887663690563803        8.9590048135168967        7.7569753443188123     
   6.6040314075018012        6.1163903777633957        4.4482910681123489     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.651413037111070     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.7508261531674929       -2.1409463933739556        2.0189551067155120     
 -0.68574338466443852      -0.62954490574749888       0.74521959661520598     
  -4.1330222895872382        1.6161022531261768       -1.7746359850288247     
  0.49828360959732609        1.4382013810642564       -1.2085272772924691     
 -0.10758385739410573        6.5647100504669445E-002  0.11616263255879335     
 -0.32203459920541111      -0.35011221218176247       0.10204586631921471     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9030839392255914       -1.0599029973009451      -0.51213461230142110     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.2190395101641656       0.95803774838069033        2.0288382036157055     
**************************************************
     Configuration num.     31
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.2211193860465918E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7429579888159648        6.9263850845683441        5.9205171928841773     
   6.4471965768253021        7.6381081659607259        6.0952257020331979     
   4.8534622963558984        7.4081965390012376        5.4638683886775494     
   5.5868691599675486        6.1346444396229787        6.5650560773359024     
   4.6652565578026950        8.9621483827638802        7.8155571353657072     
   6.5998118461895503        6.1162673407460559        4.4073120316078302     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.777530460904700     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5567877456739452        8.7105739686127545E-002  -3.7012171456084961     
   1.8323425454586899        1.9587436703570120        1.3574774499913735     
  0.29419112544262993      -0.47195952444141104       0.61344392580721330     
 -0.37853583821554160       -1.3186344079389389        1.6368040854954931     
  -3.2103583577359422E-002  -1.7977595867765116E-002   4.6101521106151705E-002
 -0.15974598942328549      -0.23722522550479141        4.8476719459435116E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.37416707301186231        1.6881666989110675       0.52801086712289469     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6802561391164559       -5.9444519453470766E-003  0.14886938968036262     
**************************************************
     Configuration num.     32
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.2211193860465918E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7708717051062921        6.9912251157995913        5.8600335257192251     
   6.5821736411671514        7.6673215081509545        6.2803615596083988     
   4.9089544486241330        7.4214372619564397        5.4751564196129872     
   5.6365221201390412        6.0572154940174796        6.5860536573115809     
   4.6135056578414657        8.9742813971523390        7.8262161576303688     
   6.6150140661098975        6.0861134510218511        4.3926133921703796     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.767718485531535     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.3194447163982801       -2.9402425359557434        2.1471923447102617     
  -1.3286743145496667      -0.55409803040378569      -0.58035729915334278     
  -1.5869527109366099       0.93830149405707919      -0.46436521124702446     
 -0.17018492462471574        2.2440184744289189       -1.2926011847015719     
  -2.4266243657367275E-002  -1.3803324158878524E-002   2.6802333209314019E-002
 -0.20915886821966484       0.32353000282316213       0.16525621604338758     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.36243044024848081       -2.6576855366556575       -1.4963895137471832     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1508539283521360       0.44416695538092205       0.21162105254259506     
**************************************************
     Configuration num.     33
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.0263571048626604E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8026346564369922        6.9983195781126746        5.8502367526147738     
   6.5330586527577674        7.6402753261487657        6.3869887336563869     
   4.8801239001821495        7.5118853532960204        5.5300027882212950     
   5.6286635990870861        6.2462661736906453        6.5011883649267643     
   4.5956423698033593        8.9775927895986793        7.8098541469146889     
   6.6317973728539039        6.0519154779508906        4.4036510591259175     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.829402496909779     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1638471045465160        1.9553973129852840       -1.7767052722920349     
 -0.28835691082238424       0.12993701348979689      -0.90587096951777590     
  0.58657996243877941       -8.3649075600368550E-002  -7.5897353169844473E-002
  -1.0729479536571866       -2.6635728666232668        2.1325672065837455     
  -3.7528651041599873E-002  -5.1821287443768529E-003   6.8066780920660916E-002
 -0.35167738555225869       0.66469995270876014       0.55833505728311605     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2675537839265307       0.81203543260606659      -0.19209564039335178     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1097838837029415       -2.4373999920157847      -0.51512953806171857     
**************************************************
     Configuration num.     34
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.0263571048626604E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8433345462683137        6.9351480628389695        5.7145949420973672     
   6.4990535233646867        7.8031755456474468        5.8916325253280561     
   4.9694035267287004        7.4300479995640716        5.3517027357066400     
   5.8576556788764416        6.2780508557303998        6.6392852783822596     
   4.5775113385478674        9.0836603253180233        7.8638725072019788     
   6.6040673293192489        5.9545175295366182        4.4560110356697713     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.889894055281502     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5948721570555882       0.14506073965945543        1.5538193126215316     
  0.15991718702457552      -0.28020114712030020       0.27945235780144928     
  -1.2977854682072474      -0.36068027232696176        7.1690145559150473E-002
 -0.77954214635091168        1.0610592024043739      -0.91517916813955247     
   1.7461455336157741E-002  -1.9703451571666919E-002  -4.8157431613548865E-002
  0.30601360685541973      -0.54578489613867687      -0.94249636521155444     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.80738608238308351       -1.0287548836887543      -0.17772305627059062     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.21944759609332115        1.5460387084479084      -0.50280061564583134     
**************************************************
     Configuration num.     35
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.0263571048626604E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8522188619452269        6.9861779096304755        5.7440788389910038     
   6.5074117139944407        7.8451092110124572        5.7515844725319170     
   4.7499787677793499        7.2319826834196554        5.4985990299473846     
   5.9847848380407811        6.3665426161768961        6.6067428806480288     
   4.5783768843717985        9.1113492089828760        7.8855773322545168     
   6.6096621710796040        5.9171719192624188        4.4272164167935539     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.961614247731863     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1092012074271489       -4.2266031535285326E-002  -1.2565019062055627     
 -0.16835240075729477       0.50263993290554954       0.24396817979098795     
   1.7916114458451344      -0.35347944682466176       0.41565638645262404     
 -0.26827527305548460       -6.4088772132807822E-002  0.84579776906202431     
   2.8033376713625241E-002  -7.4116874791825549E-002  -7.2681071827720059E-002
 -0.27325659583500761        3.2914330674937084E-002 -0.17636306116760353     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6929984929989583      -0.28083052782546247       0.23352299112164790     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.77299796272009969      -0.18977950272617533      -0.19707747741480813     
**************************************************
     Configuration num.     36
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.0263571048626604E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8682976409307459        7.0325994878575386        5.7523732299677270     
   6.4523432331421109        7.9051817831199225        5.7387369932519565     
   4.8182533275325952        6.9658277120293910        5.7160685241573210     
   6.0865086508596074        6.5025572976799113        6.6972484319286298     
   4.5308808289824691        9.1245805947837635        7.8634893502259100     
   6.6387439376563062        5.8961189469958972        4.4131964758011533     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.822341865739190     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4800290349309033       -2.8664841314480949       0.82495121230352231     
   7.6010165175145472E-002   1.5638961125719275      -0.31705988135327484     
  -1.3806673751499259       0.75088359154788953      -0.80190934867341135     
  0.28520022289040209       0.11564645518145508      -0.17930004972420732     
   6.0813428820992915E-002 -0.11932006004313249       -8.7366853573214859E-002
 -0.51991433192109537       0.55616253242299685       0.55911784994197578     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.45262614677208074      -0.13021058658280596       -1.4112392702578316     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.69786055772475186      -0.90651111740677648        1.0868651065258177     
**************************************************
     Configuration num.     37
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   9.0263571048626604E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9549862705168195        6.9594389170256328        5.8103744457388116     
   6.3809336099803611        7.9987251189276982        5.6539031880352075     
   4.8301990670827282        7.0119381786415600        5.7053537293564975     
   6.2868208743313563        6.5851151081471508        6.7972252392800714     
   4.4710293212843384        9.1391583859119514        7.8435405478387468     
   6.6533352279003735        5.8812558532054018        4.4129956312765746     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.990485666762424     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.17628177179217536        1.0466646364423839      -0.58617478380206378     
 -0.47693617820031248       -1.1032673888688098       0.12610852954937612     
   1.1774104297617654      -0.20633948892048584       0.17172257579790987     
 -0.20511075425916592      -0.11617355530027230      -0.50655167786979294     
   6.2384493476934810E-002  -9.9604204797034440E-002  -8.2031882452837893E-002
 -0.38261548135951734       0.47794226402163698       0.87762951720180382     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3042934801371744       -2.1408623250358634       -2.2055148712144876     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.20545640994059813      -0.77378777453461334       0.41283708659306834     
**************************************************
     Configuration num.     38
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6742045825486891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0479946473965605        6.8630134257716273        5.9618320320428211     
   6.1911547925966621        7.8337370958187327        5.5534178445742448     
   4.9682666399557691        6.6772146891088751        5.9651290793816543     
   6.6612097472961036        6.7678524487754901        6.9421604822620981     
   4.2492624718531964        9.1012888672057599        7.5810389251837442     
   6.8071858465888733        5.9875557801564545        4.5898611140482863     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.807499288880305     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.86154114426449979       0.15740295945867616       0.81535297003945817     
 -0.18899509341802304        1.4020556208921462       0.43598467026099547     
  0.22984303566580175      -0.25550052427277514       0.54505781599552794     
  -1.2816298329764366      -0.16604733624997814       -1.5004842370164511     
   2.0132827834871334E-002  -4.8955424627954457E-002  -1.3104688618677640E-002
  0.36232295023358552       -1.0902238181947939      -0.28478454620864291     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2488373689542951        1.6365847428025553       -1.6278014648185879     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.32764012340449961       0.61048444238693700       -1.4888535078536589     
**************************************************
     Configuration num.     39
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6742045825486891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0850209716324519        6.8288111425641418        5.9987788815386782     
   6.1428592696923152        7.8828288040121768        5.6059671201538377     
   5.0356324163588067        6.6033294001263103        6.0291630340634486     
   6.6804195099642545        6.7152752559331086        6.8605767203409957     
   4.1984967245343512        9.0864822799240930        7.5013019553213596     
   6.8410886134811077        6.0226790322656711        4.6531321576800018     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.826440690584608     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.37707616783095288        2.6818181440041045       -1.8195969614831247     
 -0.28973447875563568      -0.52032824718030446        1.1759291218490968     
 -0.51405719474250078      -0.38443709456282638       0.53838571238080457     
  0.38292984051421708      -0.24947152561982788        1.3347360815166127     
  -7.6432455373570234E-003  -1.6730342550860443E-002   1.2263423571070270E-002
  0.80465737908349222       -1.5111409244200478       -1.2417865099657814     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.76707152734022288       0.23494364846652732        1.7478313106335486     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.81333688557013473        1.8239313342830301      -0.60480024476056338     
**************************************************
     Configuration num.     40
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6742045825486891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1010335315484738        6.9132581551276742        6.0010458950234637     
   6.0470894519483833        7.9726813863177544        5.8381690848503576     
   5.0758468703262105        6.5427720658581405        6.1340374274009051     
   6.6113598920745487        6.6791544417151112        7.0066660119234836     
   4.1525471319343463        9.0630653446937082        7.4158117800139616     
   6.8956731049476003        6.0182565518421365        4.6833409266908470     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.009598912060714     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.2621654690340368E-002  -1.1059481639345796        2.1766937298610141     
  0.12392305179577302       0.68097951721403183      -0.22928093535940691     
   2.0702254490445368E-002   8.2943854809957585E-002 -0.27511264886359754     
 -0.35792324935060682       0.43485347949487496       -1.4184645899468056     
  -8.6309358526887019E-003   2.2054557326869752E-002   3.4663987609119540E-002
  0.25431887219530669      -0.11232034573596190      -0.29041369938300687     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.46707384940165125       0.21226213733591323       -1.3732640866692789     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.7566877488115556E-002  0.45974914074121137      -0.64965475716795062     
**************************************************
     Configuration num.     41
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6742045825486891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0811807540506919        6.9043473482252997        6.0282600005740399     
   6.0022091944241289        8.0230408415704719        6.0253010903302098     
   5.0601121014195840        6.5282227818289940        6.0216413820208547     
   6.5158162694798794        6.6968373581449567        6.9791941928697270     
   4.1213522675724361        9.0561624010125250        7.3668149949300270     
   6.9512124904114803        6.0221429765006915        4.7177853414266506     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.971484261105392     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.86659646562642134       0.78597672668100982       -9.2400467818766499E-002
  0.20979836187963460      -0.57145528301342441      -0.81548314393292909     
 -0.19327861405237162        7.9370375439248835E-004   4.1616869677296641E-003
  0.63655361225099460      -0.61568587441193390       0.83455889690954499     
   3.7717304391611003E-003   4.2866161414188052E-002   5.2667583955118169E-002
  0.20918012420529447       0.35649695392986608        1.7696968830947180E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.10850217905143050       -1.1420230851071176       0.30270207192247794     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.0250678487889927E-002 -0.93107101630117062       0.32570176099128878     
**************************************************
     Configuration num.     42
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6949301555791197E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0018062323157189        6.9524979837813419        6.0399260980925433     
   5.9961965372082302        8.0445114871563099        6.0748044825102800     
   5.0084199661408366        6.5279352050226507        5.9095775999702456     
   6.4619338096405174        6.6508467307800396        6.9637447666983423     
   4.0907684633852908        9.0346682499088207        7.3190069062814418     
   7.0212771957887856        6.0301232627883827        4.7704426041048800     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.948992798201971     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.21809175637611231      -0.75309522189135758      -0.16629568667487968     
   2.6661015588809595E-002  0.19857110914165982      -0.88423850915948621     
 -0.14369783154535232       0.24233197620496733       0.15650724156547019     
   1.6985448491624075E-002 -0.41613449388980295       0.69418354503310353     
  -2.1691793380045909E-002   6.0512506035515001E-002   8.5289278536402530E-002
  -9.6627988000608581E-002  0.66701178052485011       0.11577475239987504     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.38265855013314637      -0.70155824526859056        2.7886596358536180E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.14837186772180672       -1.1060374438983807       0.14213834359747718     
**************************************************
     Configuration num.     43
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6949301555791197E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9378110300859221        6.9225838211345305        6.0548844307505219     
   6.0289366588666962        8.0159293789688739        6.0550906086211391     
   4.9172749787944268        6.5836524251787774        5.8081464731578842     
   6.3060683951295502        6.5007981503228827        7.0225514618984750     
   4.0811526573149299        9.0466327041354244        7.2954949774659825     
   7.0767488531207503        6.0421610899344351        4.7959201969953256     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.008564657349780     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.50860387396944429       -1.0528582226579684       0.30038297424620480     
   5.5270592320256440E-002 -0.15698715792809359      -0.35540036563516486     
  0.37989818119369601       0.24946706910472774       0.13429497067692953     
 -0.47329525555811514       0.34387797317369767      -0.55608460572098517     
  -2.8526447247828716E-002   3.2604457294542019E-002   6.7806621736312259E-002
 -0.44434883770841288       0.58404048806173670       0.40791224672796389     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3827976764920760       -1.2392530114818259       -1.3979855066261393     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.45685779241573687      -0.41472152354742209        2.8042984349205429E-003
**************************************************
     Configuration num.     44
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6949301555791197E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8320819272130437        6.7805399675206033        5.9844476415267582     
   6.1478455559072671        7.8659733156057081        6.1242670575969784     
   4.8384239276705854        6.7049395450009177        5.5277914495985705     
   5.7682526753634837        6.2147220722464391        6.8941013610733233     
   4.2447527948375603        9.1065686122592666        7.3415614294174407     
   7.0051280614927851        6.0658589733720092        4.8120355343706160     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.995717048226425     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4330257221358481E-002   1.6212967066942867      -0.74514059834049351     
 -0.71720314841641364       -1.3392783665962296       0.12415903748192327     
   9.3638831118410149E-002  0.38063252710542794      -0.12368648046546050     
  0.48777287383776524      -0.31039354929590562       0.72144227417562934     
  -8.4660717229248242E-002   8.5104394344790016E-002   9.1098609240105183E-002
  0.24688056941483771      -0.43952591545312270       -6.7726214326567113E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.39289737827140081       -1.1952379836669453       0.38002875233830008     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2975616568749202       -2.5166195749492293E-002  -8.2028759520874975E-002
**************************************************
     Configuration num.     45
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6949301555791197E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8206700166302801        6.8287396042242916        5.9457393877342586     
   6.1285274571513382        7.8239394917014771        6.2443606391114281     
   4.8708178419374821        6.7940540990254412        5.3847594724947765     
   5.7654339315547745        6.1374592025331438        6.8468820237717321     
   4.3278406095729665        9.1135351807660054        7.3727178954452297     
   6.9247491901810809        6.0459683285367198        4.8019084810262500     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.967059779820147     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.97084753491141873       -1.4627532012804658       0.78870934057625419     
  -2.2765712126802382E-002  0.31876421009189393       -8.4312366451654366E-002
   6.9736184045674526E-002  0.49601796721782815       0.66056697207398740     
  -8.0341302646610741E-002  0.89288244648265280      -0.82959477911349233     
 -0.10139934728631332       0.14290708671371694       0.12742203595942875     
   1.1078687076405767      -0.38718840715262776      -0.66394548401312559     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.74510077704435218      -0.16721929629616197      -0.64766236797167209     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.96699397253603736        1.1538065605363181       -1.4000619500001501     
**************************************************
     Configuration num.     46
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.6949301555791197E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7634536416758015        6.8259497538752756        5.9573686666777999     
   5.9999488765549476        7.9119027506882746        6.2241073813840186     
   4.8858157719412976        6.8035630441968076        5.4188238173355616     
   5.8721022948138888        6.2357007603921160        6.8422809805875202     
   4.3831129458440010        9.1431996841730925        7.3909327638102313     
   6.8896408746956501        5.9951674994159703        4.7787146420492412     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.861123662836913     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.4991468790431792        1.4615200381935234       0.50078600603825374     
   1.9191717379945669E-002  -1.1504048324980125      -0.56457882807566073     
  -2.4089259836711241      -0.13038986216759679      -0.55306036577928208     
 -0.55676734261331984      -0.44334740457079747       0.69393571715497226     
 -0.10881448211604074       0.15580226745948919       0.13441593138369051     
  0.55532942303253163       0.10603059761845075      -0.21595327527773669     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.1273691450401953       -1.1063766571816911       0.63148186382329219     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.26218896691446908      -0.50501347644299366        1.2458564246424202E-002
**************************************************
     Configuration num.     47
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.5279497948003977E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7257151819693464        6.8389962398843043        5.9429377581799230     
   5.8806915583145400        7.8685460585192413        6.1047620849406101     
   4.6624134028144750        6.7169500835470739        5.5354631690595131     
   5.8773658492131728        6.2829108685903368        6.8255518977932796     
   4.3994288699356412        9.1560546301837462        7.4027592219464253     
   6.9241770977116159        5.9872299605366628        4.7739699471495234     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.919164189202316     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4950332125554557       -1.5219598219601922       -1.9368299243037770     
  0.67108458863633524        1.5096251828556890       -8.3329177380387476E-002
   1.4120223650401338       -2.9336384306080251E-002  0.43253766355232504     
  -8.1320518185244606E-002 -0.60639796338790564        1.2952503522826646     
 -0.11959645890760784       0.12846470463507131       0.13152861213700262     
 -0.38497961374249762       0.52033578411539383       0.15753473852094446     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0592941599008627        1.1473835745637613       0.40688450652352209     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.59679382496063582      -0.66488724700381630      -0.21620689071536806     
**************************************************
     Configuration num.     48
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.5279497948003977E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6519543798603804        6.7897695248083476        5.8427345376059927     
   5.8709084258536262        7.9103129614163112        5.9731453588329249     
   4.6433326595131854        6.6512306380292756        5.6127751355808950     
   5.7852372304109370        6.2025690929539259        6.8238742600228228     
   4.4218569279971192        9.1485607252620795        7.4458973704211591     
   6.9403892385723340        6.0231682664344346        4.7710955414254874     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.810683306479628     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7361868580628181       0.53909139198028633        2.5617463914672678     
 -0.30162625573631086       -1.5531848868825533       -1.1680167116190118E-002
  -1.6797013533292544      -0.37991833955745230       -1.3814335975204126     
  -1.2456350275908178E-002   1.1915381784413479       -1.0367796444751560     
 -0.10481491111847736       0.12325260370385874        9.2547603512093318E-002
 -0.63510543258045093        7.9025021897302691E-002 -0.22432422846095368     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.37789916995170131       -2.4331524669728539      -0.74102066206588413     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.15898964976600971        1.0528251375288480       0.80029980739324669     
**************************************************
     Configuration num.     49
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.5279497948003977E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6732021953954357        6.7769547559157672        5.8528388496149164     
   5.8648456308625487        7.8190326002213446        5.9299997541331742     
   4.6079077294000124        6.6127855501402966        5.3723709631316865     
   5.8289092921879186        6.2743829419303330        6.8204419725638710     
   4.4562157548244761        9.1243103777459762        7.5085365284465349     
   6.8985854886331790        6.0582939866862393        4.7374120533544843     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.944463546956968     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7660150144236497       -1.3290096780637519      -0.85511487932729791     
   7.4075333454997713E-002   1.0769452588672908       0.20415540000207230     
   1.9558869052578889       0.19652500771989065        1.1305952071466567     
 -0.42555921050334228       0.18769688730748740      -0.21633073190645205     
  -8.6041699385967618E-002  0.10767635925397576        9.7494617447188500E-002
  0.24755020778954637      -0.24097981249635778      -0.35952774380756503     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0612984115829178       0.84855822134266767      -0.61336159049017325     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.35546141703476897       0.54944172520104728       -1.6012499581053707     
**************************************************
     Configuration num.     50
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.5279497948003977E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6594034414120102        6.7174085530785517        5.8613345544806990     
   5.8591895061002131        7.8008656222416057        6.0236342935413987     
   4.8286358465487060        6.5891358589592670        5.3007324280141814     
   5.7740195200766733        6.3473530317124540        6.8965590903770693     
   4.4641822899156640        9.1114130544747809        7.5183894025472107     
   6.8772211579533113        6.0878498652219388        4.7136112933327690     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.755735470657559     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.1790298095238376        1.8413188437669279        1.8889010319693373     
 -0.28881720246579989      -0.31260301124351519      -0.34815893479657367     
  -3.3361978997282642      -0.48764580322971607      -0.86807028425645150     
 -0.40103296561362883      -0.63850517299541176      -0.60518516859555382     
  -7.8050720069597734E-002  0.11355538819584687       0.11558461572524097     
  0.92324711681951521      -0.51645389580797540      -0.18205778656005978     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.0951162600139153        4.7289416329404296E-002 -0.28298848650932035     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.44754500648812418       0.29963863060621887       0.21345017194939417     
**************************************************
     Configuration num.     51
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.5279497948003977E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7234506199393360        6.7585362521108232        5.8862278665247514     
   5.7849407770971544        7.7976872552916126        6.0828376889161779     
   4.8151412400787965        6.5577509770882001        5.3411490018594145     
   5.7801638574698204        6.2848714615306793        6.8719744382195147     
   4.4230890752509984        9.1026104360449711        7.4904598963547020     
   6.9058224912829047        6.0936680953893960        4.7246413879321514     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.946902202465026     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.36688130996368079       -1.0536728483640576       -8.1891107327389162E-002
  0.42219967094161415        1.4776795826869151      -0.12714357215776578     
 -0.83961652288430655       -2.7796199153914614E-002  0.39002481348992513     
  -9.3366808748690728E-004 -0.41968062082177260      -0.20415202896755191     
 -0.10317320881353520       0.13813413231789537       0.12680896161483041     
  0.89131049769407544      -0.11518380856475063      -0.10087316652327113     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3463296863542771        1.4916539873619736      -0.57958076763870847     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.19511268601184090       0.20963073987846939      -0.59699974785558463     
**************************************************
     Configuration num.     52
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1264090485896598E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7521135852690097        6.8367375295844992        5.8895847988895724     
   5.7847804390151625        7.9272069049269049        6.0644656364962648     
   4.7472961233456958        6.5780319680707775        5.4924719522667012     
   5.7000843810482298        6.2464762418791198        6.7965316167732404     
   4.3624194501408722        9.0759349844105621        7.4515843162314681     
   6.9734892350676692        6.0812806404262947        4.7558913109657670     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.930401069940217     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3561185266305071      -0.74023287675694804      -0.52499234267681172     
  0.42595255684713212      -0.25891959526275665       -6.4926598003644045E-002
  0.35273026044783184       0.46112263378371054      -0.44984780737300567     
  0.79322784743500763        6.9923813771744392E-002  0.66912534928252831     
 -0.14371754385815030       0.17341364332513526       0.13597939385524493     
  -7.3536406760303388E-002  0.29439089967776394       0.23497060363478056     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.71479070689052471      -0.72345645192707753       0.19500078138434687     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.30689610390203420      -0.22870246109976558       0.49075738631953647     
**************************************************
     Configuration num.     53
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1264090485896598E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7998507926612062        6.9124507643767714        5.8253158999049681     
   5.7330832102074325        8.0508221876448047        5.6429604061238514     
   4.8979028992715810        6.2765773902848778        5.5175561066804857     
   5.9161372030529824        6.6853534480979153        6.9140973882932650     
   4.1973273180941293        9.0805433707515082        7.3021205637034861     
   7.0868728777205865        6.0215699127406594        4.9585904727245076     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.846212498005801     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5605117236916162      -0.43419884282575738       0.52839669619178053     
   3.0987064245746179E-002  -1.7685770101891833       0.15990413900040928     
  0.60273428988278388        1.5194441356363975       0.29965859166784653     
  0.11757078880239061       0.55513364035168888      -0.64297064909111290     
 -0.11150713567228659       0.14155383995292281        8.0099495782716107E-002
  0.91981369862823370       -1.3152903340000133E-002 -0.42544637761246773     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.34326573629132845       -3.0073989740486544      -0.78064848452651692     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2976338744462919       0.61439619868823259      -0.93164613761298443     
**************************************************
     Configuration num.     54
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1264090485896598E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7191111798422440        6.7982762152423648        5.8574816451053993     
   5.6633931154403792        7.8624621990659147        5.7530797395949920     
   4.9756034564151861        6.2233387716910604        5.4295312060413137     
   5.9281377970511837        6.6504643064614255        6.8699700350293167     
   4.1814246818365959        9.0987137985644893        7.2962384833229352     
   7.1278712538046376        6.0732751373376344        4.9560611045993035     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.851327566280816     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8912052237025805       0.44069565095570584      -0.68447828004195643     
 -0.22889261112428508       0.78091611306928477      -0.59154246874821259     
  -2.2641998493445570      -0.75145501328095410      -0.35805832446926178     
  -7.2941958583470738E-003 -0.64024483898572560        1.7933547720903522     
  -8.4066980308132727E-002   8.5273629008950746E-002   7.2303035000662416E-002
  0.69250074876286805        8.4400786014858786E-002 -0.23159757730223099     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.1238544506570713       0.88481526939390109        1.6459113239334795     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.36150252146275291      -0.34437259767098777       0.23382257826803604     
**************************************************
     Configuration num.     55
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1264090485896598E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7142541081919562        6.6880964227348141        5.8687281211583722     
   5.5520330098537691        7.7655531513887608        5.7660034882464677     
   4.7667647743870525        6.2235896439095058        5.4240811397379112     
   5.7607274344164852        6.5419834142364017        6.9827356829878422     
   4.1699482321860275        9.0921895350629303        7.2531491677189095     
   7.1960079265277042        6.1402717376948353        4.9817742109939918     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.970713186104149     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4538586352507072      -0.11046066567017858       0.22633405461155434     
  0.31413913861670734       0.23884122296028776      -0.14149392619094939     
   1.3062736005727074       0.13381704573399841       0.54681689761712471     
  0.22296197615372540      -0.30707943249370850      -0.95431526970714597     
 -0.10580765966874114        9.4032856935989340E-002   6.7451819123740431E-002
 -0.28329214374860856       -4.7078861775952052E-002  0.25447555438629565     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8463688461970758       -9.7470640218602460E-003  -1.7994036978974661     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.34039016871391942      -0.24224843292687023      -0.21883392124018333     
**************************************************
     Configuration num.     56
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1264090485896598E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6544357976297679        6.6278061147685365        5.8781443245221556     
   5.4991914124607106        7.7126276687160908        5.7900893630527648     
   4.8262669648927785        6.1849240656552960        5.4319606207852313     
   5.5913131280637067        6.3759620858929207        6.9595911324401634     
   4.1566959385616373        9.0767878990638700        7.2035451196661171     
   7.2478886177805855        6.2051641486936004        5.0271929647183455     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.893457951495744     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3053927735504309        1.2863082107798145        1.0460067250117178     
  0.25227480261108826        7.6454992659525170E-003  0.18865142816673020     
  -1.3373105804637739       -1.3005966377466922       -1.3919796839646659     
  0.76819848065249519        2.4723678356253071E-002 -0.47265314931184954     
 -0.14927985402057470       0.12433890822448621        7.9285359764645319E-002
 -0.83936299112140822      -0.14202148993154462       0.55174072921130224     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.53505002226818932       0.38334068080993128      -0.75843775648783751     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.63146972545414537       0.80772477965749734        1.7863978638546596     
**************************************************
     Configuration num.     57
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.8414438523043514E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6521685047097652        6.6318617442191652        5.8416104645795928     
   5.4696984776310504        7.7030835019330741        5.9462358360289329     
   4.8551125125547347        6.0304900305869493        5.2826240984161243     
   5.5635102433939352        6.1928869974723515        6.8974636830465839     
   4.1332455805787625        9.0621306008423659        7.1699281557481624     
   7.2753170183159126        6.2576038911583645        5.0794283300950260     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.927388979504936     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.91993089382815341       -2.1261587808260440       0.78547879445071089     
 -0.12054631685237893       0.29077516108297408      -0.27710508270962170     
  0.91930953349175837        1.0805071598239326       0.20100314389984561     
  0.68910437261970148       0.53716933403476075       -1.1157381495202747     
 -0.13647931604303121       0.17530896869754883        9.9680542392003649E-002
 -0.42951666798981852        4.1818472132301818E-002  0.30683461967251280     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5778815889291729      -0.62483330118609215       -1.7936711353679931     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0384634395998953       0.16967430941898540       0.33608453871790012     
**************************************************
     Configuration num.     58
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.8628435695674528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6359168810330438        6.5997459553643418        5.8473983640054987     
   5.3873718604770389        7.7036906111816101        5.9354401675563002     
   5.0020666794785242        6.0703449053787129        5.1579306428388847     
   5.6637270398090003        6.1296346285339851        6.7958423305744091     
   4.1048601845772028        9.0808307042336036        7.1890333969948195     
   7.2906096116559702        6.2523555204703509        5.0851143179709712     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.990546777632058     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.72335750752615513        1.0039713947973263       -1.2169294314273398     
  0.33245961500908527      -0.85042260145426918       -2.0796632659981815E-002
 -0.77288479489540496      -0.14870672437198612      -0.19184458908300414     
  -5.1030506890471838E-002 -0.43301725659930801        1.1560421341584872     
 -0.10311253836242316       0.13133339555626022        4.7610653799855594E-002
 -0.12703447734625672       0.29534820810905116       0.22548764576234531     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -9.5356142010394426E-002 -0.88415786193321122       0.52161442817376502     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.56344326272154854      -0.40479447854555850       0.44947432425666473     
**************************************************
     Configuration num.     59
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.8628435695674528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6689185795777615        6.5969644194340953        5.8607381958613303     
   5.3519642677762311        7.6340424504430722        5.8665047013909692     
   5.0405784555601461        6.1038720395386656        5.0523477969697765     
   5.6266681985588525        6.1148826411453596        6.8617971358961176     
   4.1038786831485536        9.1022657703765635        7.2037042120435952     
   7.2842415299818262        6.2376025710432419        5.0781728715632282     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.885747652305554     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.58766946517115981       -1.6937986817388977       -1.5831816774345056     
  0.45172331132216914       0.76206728216418373       0.40622599439550966     
  -3.3983502578733768E-003  0.17793108857865864        1.3974135654907718     
  -2.6480408524750448E-002  0.27041865112507835      -0.63781496060678922     
 -0.10138045664411621        9.1590134099872683E-002   2.4139886929724911E-002
  0.26687752447046309       0.39211829604452336       0.39361601893172421     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.9986046975586482E-003  0.12364140406040854       -2.3795479148697294     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.14473262063460723       -5.8775907142465944E-002 -0.31991648930055788     
**************************************************
     Configuration num.     60
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7506271933094506E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6751255251438213        6.5491084330815585        5.8058712623079183     
   5.3464771431259299        7.5726871896931920        5.8805691313177153     
   5.1016368861264541        6.1792348840629971        5.0782744678767227     
   5.6168981043903221        6.1320292611863501        6.7974240969732351     
   4.1102627640405647        9.0883329641502879        7.2367050123192707     
   7.2705870778889636        6.2642333559121850        5.0665111537704677     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.711624908864223     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7987699127203980        1.2553494802217275        1.6025806647211907     
  0.50347716188083047        1.1999574294746418       0.29492829166229589     
  -2.9780498840867944       -2.1980585209336692       -2.3278160257605265     
  -6.5142805984810592E-002 -0.55811848047174939       0.28520282162556809     
  -8.5739080354361785E-002   6.1826857783762200E-002   2.0470828439917672E-002
  0.82563790377345758       0.23884766055518172       0.12684015817393751     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.3337579728323532        1.6637445803338804        1.2538876326925668     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1128062409309969       0.95240210994132579        1.3012497088752606     
**************************************************
     Configuration num.     61
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7506271933094506E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6835224971465763        6.5511826773429824        5.7631063652693504     
   5.3602594608678817        7.5954630508385810        6.0255948760272924     
   4.9524310441517798        6.0726431955047193        4.9744971359304069     
   5.8124110910259850        5.9469715679785615        6.7135424907523689     
   4.1190800992062249        9.0863401498235259        7.2730311435128181     
   7.2521453419578688        6.2958592149646071        5.0494833034603621     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.814408051763849     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8000741743444280       -1.4636701435653849        7.6111166220919346E-002
  0.41287883966701516      -0.28694092778301494      -0.19624524464524531     
  0.87114606909423042       0.75196624989918570        1.7936851935786939     
  -1.0112309647540978       0.55243834292502858      -0.82272271715473999     
  -2.7309608053634089E-002   5.2093452147272581E-002   2.7080152093986124E-003
   1.5559664547994405       0.39310881580305407      -0.85516773736079033     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0673725769401556       -1.3595595263561076       -1.9724524074879615     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.16293910352995730      -0.32622456460981897       -2.4703596100359886     
**************************************************
     Configuration num.     62
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.0904797683679808E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6225437119749042        6.5046426140612121        5.7253452314192668     
   5.4854981648535093        7.5619685683466145        6.1362530867825189     
   4.7967204793686280        6.1190835639166830        4.9756199679676927     
   5.8300897457766716        5.8341613079906409        6.5633996973826143     
   4.1696721147059295        9.0841632180542167        7.3147098365227938     
   7.2236555184555797        6.3250705358222561        5.0249257562203438     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.758155672504017     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1032260995182532       -4.1471496606553131E-002  -1.9287911222429399E-002
 -0.37126140443127065      -0.90140158636016621      -0.58503373018121207     
   1.4656054355982948       0.80715059641860276        1.5193362105784602     
  -1.2771280904020410      -0.12425031604252236       0.35027943881042561     
   6.5877309224980987E-003   5.3521429375742294E-002   2.8657679042318203E-002
   1.2798668924693553       0.20697104021208870       -1.2919884618910147     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.15890496890893288       -1.4799823752151935      -0.59477693057034575     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.26730850282701196       -1.0561430364540390       -2.9416727492417469     
**************************************************
     Configuration num.     63
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.0904797683679808E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6206050490523438        6.5261841091760333        5.7370316816355205     
   5.5612881274443806        7.4507557032209979        6.1901778551236744     
   4.8148997912506060        6.1631386666121015        5.0988878368186130     
   5.7480811076778622        5.8934974890756413        6.5626191554150113     
   4.2116012071053017        9.0662389834966266        7.3242769485822325     
   7.1810337550514038        6.3365792745841913        4.9914956612131949     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.742046548438115     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.10172288068432826       -1.8070449503546249      -0.61473201273523270     
 -0.80636480714500458        2.7458621499423459       0.39899767379357765     
 -0.12306997426075306       0.39853121744642750      -0.12658549989221540     
 -0.49094739678002813       -1.4233913283628943        1.4852463006075791     
  -4.5257579211504348E-002   7.9573243880641104E-002   9.1797683593091067E-002
   1.3633298679305375        7.4552999555700028E-003  -1.2344086922883881     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6616557932568419        2.6880790207362693        1.8516559611444092     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.68483923123258683       -6.5823098213155157E-002  -1.6368992023561937     
**************************************************
     Configuration num.     64
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.0904797683679808E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6269663100451686        6.5182695642195503        5.7755586982104434     
   5.5235159354826653        7.5794886478268584        6.2987771061779627     
   4.7725498519099396        6.2067261666213707        5.1434813652991087     
   5.6859564514284298        5.8330969768206611        6.6566402797390198     
   4.2456045772741673        9.0384571639091718        7.3436432642720106     
   7.1609243302305350        6.3544150210616595        4.9311848947994568     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.921861615237731     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.51854178247970872       0.85201916905666486        2.2000128924428553     
 -0.26707969239388274       -1.4277511725988026       -1.2724082589535914     
  0.34773472877297462       0.40862329606296549        8.4961333828054236E-002
 -0.14534307911074362       0.10934640182418690      -0.51244686209321144     
  -3.6550386825010772E-002  0.13080331748789159       0.11413195955702785     
  0.62023544512422668       -7.2718670521890141E-002 -0.61443196774675501     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.24516344830660633       -1.7433508674538560      -0.89656807352957557     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.42768334813306286      -0.60279439581473215      -0.97189864565260675     
**************************************************
     Configuration num.     65
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.0904797683679808E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6017648022478541        6.5685566796392507        5.8946222980208134     
   5.4118688669599848        7.5665800800955383        6.2060551674664479     
   4.8065150135338373        6.3392556124654789        5.2024846403969729     
   5.7296850785156828        5.8570696267465987        6.6784520810292447     
   4.2662064131309982        8.9774880645429906        7.3808681762580193     
   7.1526912199935282        6.3821465197886624        4.8549662319876035     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.942483121076975     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.92259066533517686      -0.79658256150000784       -1.7741928557125319     
  0.36096254602268402        1.4007052809648686       0.69002747253709995     
 -0.46336599388695571      -0.55681461466855542      -0.23733719921078925     
 -0.10295569968248343      -0.51813402543754139       0.73585860424671878     
 -0.21369334080732919       0.25034598508356559       0.17328157073002226     
 -0.50587206812988472       0.21951272314184650       0.41150358435652346     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.65005646105107084        1.7476959570465345       0.23317330251699314     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.12894796037519532       0.49661600403385076       0.54167182383431689     
**************************************************
     Configuration num.     66
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.0424945237465531E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6088130287381865        6.5834633553937563        5.9471405771942480     
   5.3647784739770179        7.6733959955277360        6.1889223054291627     
   4.7937996259719924        6.3820347660259795        5.2352764115605250     
   5.7628973314848118        5.8559506108562989        6.7565343468372907     
   4.2857714571682743        8.9316914907319376        7.4161412608371089     
   7.1337387577385369        6.4061410375001744        4.7913242716888469     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.800654532845556     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.24041280498539161       0.77591475388061992       -1.6472718965080624     
  0.95616188001612712      -0.83909601189860739       0.53212422594105557     
  -1.5840702695504662E-002 -0.76145546520381524       0.31338478528550534     
 -0.19700377229236782       0.34418576233999459      -0.14901484823092828     
 -0.28664891431543632       0.34459349045537174       0.20237489391301514     
 -0.69492018604257955       0.13708561237853623       0.74725463987909890     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3009087160327073      -0.69650712217563315       -1.1891968299553568     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.60188434544948888       0.86693564870102502       0.46265780685757735     
**************************************************
     Configuration num.     67
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1145809733913443E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6030330430082280        6.6126766725271144        5.9728010725145371     
   5.4762207635032594        7.6694649124709979        6.2732832621248127     
   4.8025717676961515        6.2823501790999563        5.2503375391577931     
   5.8111076511731667        5.9428512501371751        6.7605917760043948     
   4.3147077924592177        8.8953646740998540        7.4625649258582376     
   7.0877580088534700        6.4344566553823306        4.7245320549758416     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.826659708360694     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   5.8400944489058110E-002  0.33954452738214891       -3.2362736767432803     
  0.17422605384253026      -0.14323605732453545       -1.1507999496073633E-002
  0.36809074594464825       0.21960825038065582        1.1221500619094584     
  0.20646490067174278      -0.90190436801871210       0.98700753484422710     
 -0.30353919145128855       0.38407369278066755       0.31458741123275091     
 -0.50331867619757720       0.10401741536918678       0.82351191114085909     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0267241623198775       0.63849357575386401       -1.0080177089835844     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.60946168776605647      -0.44788637322500002       0.15027817428228862     
**************************************************
     Configuration num.     68
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1145809733913443E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6402514740781999        6.6382503843055050        5.8296039411976652     
   5.4179325179699651        7.6190296801803186        6.3314611230021152     
   4.8275245297375635        6.1699856025371185        5.3324133283434909     
   5.8808511129603191        5.9676380047390065        6.6858562438083453     
   4.3483998614058477        8.8678325639148063        7.5316788111035295     
   7.0373490897457094        6.4688961179730002        4.6965393237310362     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.904637954529335     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0406132431654798      -0.83055664481486768        1.4877862486228730     
  0.17525457243823478        9.2301497631345888E-002 -0.84150665633260635     
  -1.1498311586486505       -9.1220605937248511E-002 -0.63357700879659262     
   3.6014966008999123E-002  0.14915546368138283      -0.28590971368254364     
 -0.23771572822778919       0.33804349099448294       0.32745566699768575     
  0.13660829230390015       0.34195788720503856       -5.4257587945961250E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.83552653361333507       0.17363692974923992      -0.20045472266815872     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.13823082992998753       0.35528182580862405       0.14204538619791662     
**************************************************
     Configuration num.     69
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1145809733913443E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6769735720123649        6.6214906451707689        5.7954665409646671     
   5.3423129188583234        7.6313415301938043        6.3087269874818217     
   4.7853000762435478        6.1356415980758410        5.3378635190552259     
   5.9039247335663960        5.9817495960121541        6.6532472003442162     
   4.3600388426999084        8.8615100788121168        7.5547102589158266     
   7.0239616699474636        6.4817902184381682        4.6907023662944267     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.850937952276809     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7731553174815942       -5.7197830738781506E-002   1.3950194942225860     
  0.75564840697485358      -0.79005147120090102       -1.1527931106630749     
  0.30363671776006879       0.40372243974747990       -8.2792646045253729E-002
  0.21943312174503543      -0.15664410031091405       0.20620590398864136     
 -0.20614696270013033       0.28597233890510587       0.26539320848476011     
  0.70224457092575787       0.31338693833380316      -0.63251991727898726     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.24184115081083335      -0.75910305794719435       0.29552969073666374     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -6.0560447335867858E-002 -0.53940074912184044      -0.62778483465663293     
**************************************************
     Configuration num.     70
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.3602917691620510E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6364734746965537        6.5660850726614051        5.8360486411079506     
   5.1753975436083799        7.5434498978293822        6.0500292339864847     
   4.7923094727406728        6.1114049853418697        5.3621342573375790     
   5.9757805887607596        6.0081321583064193        6.6521341948852353     
   4.3808005147823117        8.8767341688720656        7.5696295101921649     
   7.0268551797423084        6.4950110854376080        4.6886093491271028     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.819943481020122     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.47632644322364653       0.57619838808846457       -1.5201106420044141     
   1.0622558764755485       0.62828484921142236       0.48221752718355754     
 -0.54312435537598991       -1.1553717681265898      -0.58706532854052207     
  0.22796436547284524      -0.60970937742036480        1.6697836063577691     
 -0.23991831330932725       0.24605637248143550       0.18280007915489319     
  -2.7748695832389290E-002  0.31293452468806265      -0.22774325578670873     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.18755036280702952        1.3455221611704997        1.6816243008679617     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.57277604016605477       0.21231532994055383       0.28633034962903220     
**************************************************
     Configuration num.     71
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.3602917691620510E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5970713609256766        6.5326987868272557        5.8675780800394790     
   5.2075113645605926        7.5958775417469209        5.9013631475716855     
   4.7810561880156328        5.9218687602889304        5.3133713106082840     
   5.8319820709742149        6.0684352636814882        6.8746555115953178     
   4.4167733129845130        8.9014869380056947        7.5680370872170988     
   7.0181018189569571        6.4902347522105410        4.6766889741648816     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.851181594118088     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3805697200955960      -0.55166584728969603       -1.2162758374561518     
  0.62857507509495858      -0.83719651300474884       0.58192223091656714     
   1.1321551201802098       0.60409329684253188       0.98328532393001666     
   4.4353087484298975E-002  0.69246879411591389       -1.1334107595671821     
 -0.18103667485378816       0.22766316375154969       0.15066759129948187     
 -0.24186368921618612      -0.13578885822797232       0.63133271519809586     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6331370244083485       -1.4426645491046002       -2.4293119777576786     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.41051054307094959       0.79381023869897394      -0.49921331871587343     
**************************************************
     Configuration num.     72
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.3602917691620510E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5975568490858745        6.4891376166091801        5.8505340425523524     
   5.2193115339155920        7.4921336416312299        5.9204504239193305     
   4.8781157262283923        5.8967623275988874        5.2554636591516557     
   5.7790994132290221        6.0784136729732321        6.8429680648483506     
   4.4433472309356956        8.9317350896830501        7.5756725652224892     
   6.9850477893767895        6.4881563156361466        4.6827828624100665     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.924128472357094     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.58468483174806685      -0.78225059186345303       -1.5469094292414871     
  -9.2271271784950940E-002  0.85616050516184672       0.38482796904104494     
 -0.13505117001143280       -7.7778344127562488E-002  0.66441385106682105     
  0.48909514680962174      -0.12074305638656457       -4.4303819485720999E-002
 -0.13582073453820262       0.17028712908068358       0.12877950884452283     
  0.45818538621731875       -4.5030188542312978E-002  0.41150685953503285     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.47529865613800931       0.73993817246218607       -1.0768197527126415     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.48414720104525200       0.28800057281693903      -0.16994508941060546     
**************************************************
     Configuration num.     73
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.3602917691620510E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5777004290698091        6.4997465359901723        5.7973260037721586     
   5.1889387203154316        7.5232467376374466        5.9662092486142910     
   4.8359222102860100        5.9161922991890643        5.2304074475013111     
   5.8005033340729444        6.0631655228452042        6.7574449056020658     
   4.4415900328544637        8.9534289277776260        7.5699600173498345     
   6.9993044965435001        6.4588861539424816        4.7138349848912329     
==================================================
     Total energy (eV)
--------------------------------------------------
  -28.023757279405569     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.83024290309919813        8.4929148958796302E-002 -0.93792228075317174     
  0.31862644978758076        1.3804873837637736E-002   2.5530368123722808E-002
 -0.12831885517151898       -5.8171335737346827E-002  0.41179742434155869     
  0.27578993078157876      -0.32040269604285615       0.39509870471349584     
 -0.12319687610197999       0.15921666431625714       0.10644318816742174     
  0.48670272427645395       0.11970446915955568       -7.7929226631719129E-004
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.33829043817839066        2.1190686126238586E-002 -0.14242173149416290     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1168179728993090E-002 -0.12710623305727334      -0.30563176944798676     
**************************************************
     Configuration num.     74
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.3602917691620510E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5305604411791913        6.5630510253907239        5.7367222125976083     
   5.2170010338665964        7.6451688153612043        6.0423526234783100     
   4.6982026247068633        5.9073036058734782        5.2656772891594050     
   5.8894951454133269        6.0552247259510050        6.6405439424389119     
   4.4467559888877544        9.0056374338806471        7.5976701038692740     
   7.0124405244693850        6.3733738210195590        4.7072758058369351     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.889154458635176     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.91394115535982967      -0.52740292757932961       0.15061021358384297     
  0.43786526984386848       -1.2151125158662277      -0.61324139997471039     
   1.0931373329392673        1.1760547828465036       0.58983449672273491     
 -0.47630928049807636       0.10729747065198601       0.24025671723037928     
  -6.5922088535750878E-002  0.10329441460060013        3.6176556105531166E-002
  -7.4276071784047923E-002  0.35311163985646182      -0.40376012317278370     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6118525513929383       -2.2779135897898404      -0.21278187198640933     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.11340650508807180      -0.93959425299399790      -0.76255558934693857     
**************************************************
     Configuration num.     75
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1543335551725715E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5909456845790482        6.6408259165019565        5.7718789679227687     
   5.3371815793658426        7.6731926787076636        5.9914291332699481     
   4.5600402550425763        6.0766252672998728        5.3892230497313713     
   5.8437010725404495        6.1448223871750152        6.6658596293520782     
   4.4088618652556200        9.0114740780012319        7.6350693314995244     
   7.0370724821261712        6.3088136003010948        4.6469160496952009     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.717397949185624     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.3698968129172089       -1.8826211954137759       -2.0074321984895631     
  0.29495786825660592       0.76673247268703448      -0.18762772169976322     
   2.6065745657489670        1.2995790041443738       0.44465330796618985     
  0.46958590253219279      -0.58317284571527472        1.3409491659521899     
  -6.9863686591398619E-002   5.8035030256125858E-002   4.2308395583791313E-002
 -0.93142331024850133       0.34317881586450349       0.36903130312868054     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.0732937648444478      -0.15208911055288879       0.15408912194607263     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1314011572400218       -1.0596794147056672       0.40544800604224573     
**************************************************
     Configuration num.     76
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1543335551725715E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6090084108083111        6.5338532607477466        5.7364952147628232     
   5.4598347509907770        7.6238208561079261        6.0483247511101927     
   4.6859793504878828        6.1608485605879091        5.4255786650356708     
   5.8275030844863291        6.2515015784551888        6.8310433352396034     
   4.3622158810767253        9.0163557182007281        7.6082683514835034     
   7.0513790727190733        6.3242046005097414        4.6565465364687819     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.730099060284147     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9975437493096599        2.3583291445477204        3.3567649671015376     
   4.5437443097330790E-002 -0.49013729604110451       -1.0580592352227822     
  -1.3196383274201238       -1.0658577105355800       -1.0989820850794634     
   4.3120392797105667E-002 -0.63058517243933565       -1.5466194224911796     
  -8.4436280866712673E-003  -4.7888371405116085E-004   1.8138301167646975E-002
 -0.75889755673631143      -0.17079146839987722       0.32728806608070365     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.35207288593409336      -0.41407590852424841       -2.2884664726576189     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.63682364087657384      -0.31866867756701994        1.2050265463119079     
**************************************************
     Configuration num.     77
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1543335551725715E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7038538516033199        6.5752241841863404        5.8476922187045890     
   5.5974373714813446        7.5995080898223586        5.9303275415223276     
   4.7235302256354519        6.1330718787082716        5.2874903126738735     
   5.8658055376150138        6.1932426236473344        6.8077874813228894     
   4.3226113247600129        9.0170144294352053        7.5937358510161435     
   7.0347680087933213        6.3219800824456929        4.6649238018113568     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.723964911262780     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4477870253678642       -1.8545852362812423       -3.4799665579582153     
 -0.50224394296426844        2.4184473469662455       0.27839117040734446     
   2.0743562431718869       0.87602190100865218        1.6228945495116274     
  0.49819419745939392       -1.1184115878200545        1.3986915044633899     
  -2.6716846806134134E-002   2.5031280914352683E-002   3.5681582187740153E-002
  0.40626333514436874      -0.34678194222433883       0.14359566537997337     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6740230400200180        1.9410596885833604      -0.14245875832797866     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6315372781668691      -0.85410220972686290       -1.1324582727710004     
**************************************************
     Configuration num.     78
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1543335551725715E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7189911511326619        6.5864167183205060        5.8433679713393314     
   5.6244565046156678        7.7620483429178666        6.0969879311583499     
   4.9112830749274048        6.1569077839804596        5.3273567488483886     
   5.9646045217496946        6.0194305895686933        6.7914280381380854     
   4.2976297279800111        9.0116821014640323        7.5817430817989893     
   7.0192425124954250        6.3221029775157964        4.6569258510499827     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.829091340149262     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2823539541534035        2.1934058869835180        1.8728506734457577     
 -0.23960557401308738       -2.4384610278255474      -0.36395000656250981     
  -1.7347534884451159      -0.29040676315050251      -0.24471678673293187     
 -0.25652049458172016       0.55637589126725562      -0.87203138348464382     
  -2.9546517813209151E-003   8.3445398216111411E-002   1.6573566959027789E-002
  0.95194824409247691      -0.10356225437166354      -0.40948464643213356     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9503200984993692       -3.0949622917462185      -0.69207684046463014     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.33693675937819551       0.27896461344731027      -0.48274158012030827     
**************************************************
     Configuration num.     79
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   8.1543335551725715E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6655185803383841        6.6277209022114620        5.8075036140607397     
   5.7357129001990597        7.7332327457706711        6.1688104068167258     
   4.5628553428029255        6.6567281619570213        5.5551199205555397     
   5.8787285237293716        5.9345909857305372        6.6034902840489238     
   4.3476027670987776        9.0123010019475132        7.5847155190223328     
   7.0238332165311377        6.2639215220812803        4.6535070544823700     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.739434567510443     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.39848428528210644        2.4058843225989994       0.74564765143973100     
  0.33465254505678421       -1.5638844886188401      -0.18600608191506576     
   1.0857851620239252      -0.78288472927658903      -0.80173614043398211     
 -0.24858440323740424      -0.16404684208365972       0.64484904121850217     
  -5.8738801187643089E-002   6.2608529399169804E-002   3.3066786276960372E-002
 -0.71256424497778859        4.2106495010091366E-002 -0.43583045416614485     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4159564135846741       -1.8628172798684406       0.67735491070107912     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.65296470195978340      -0.42262589866991546       0.36333013443018231     
**************************************************
     Configuration num.     80
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9779783130449491E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7500790454850552        6.6424740326682183        5.8953101945085278     
   5.7810184243155591        7.5358531459180282        6.4789922990286266     
   4.9377148441353880        6.8128409087407151        5.2224235790754632     
   5.4004890050700896        5.8483050649412140        6.4638089095942730     
   4.3677608325009443        9.0340241733245321        7.6072843577224818     
   6.9815794815372456        6.2515913850177744        4.6194903399221570     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.691364257376787     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.51797871345490931       0.60130311548347892       -2.2940327217616616     
  0.97457418199543655        1.1572370979731788       0.59463996229733940     
  -1.0898326479566438       0.45540355715718378      -0.37651827165764407     
  0.15666181422638817       -2.1550595513369037        1.2934654176176903     
  -3.9248993746130820E-002   3.0607048996254521E-002   6.3007095393026694E-002
  0.51408138657943192       -8.9404393074221100E-002  0.72037826493048607     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.94656195506219698        2.1886298850411783       -5.6612717695945849E-003
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.26074190995261448      -0.65574155113964672       0.63266311498189864     
**************************************************
     Configuration num.     81
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9779783130449491E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7644360173756981        6.7220865374408829        5.8395762835609561     
   5.9014326190624864        7.5087739214542850        6.6899127116834904     
   4.9048322289146444        6.8815259800954030        5.1874552132718801     
   5.3467902893161856        5.8695897716383127        6.4160494581075298     
   4.3196256952830794        9.0462713288146830        7.5718512974546535     
   7.0210334621684289        6.2052769288992762        4.6593419154900477     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.700882518581921     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3664961706618159      -0.31147595774531345        1.3190280340967435     
  0.23965305691049138      -0.40004011295154346       -1.8634007727009620     
  -7.3695314100154313E-002   1.0581754564155446        5.6018668744379704E-002
  0.79099032803765945      -0.40356096988863516      -0.13117562164944266     
  -2.9776736257819472E-003  -2.6992586644384049E-003  0.11567341469255207     
  0.41200232054473951        6.0247715872667529E-002  0.50473728075196123     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.19115997790610448      -0.32541935444365255       -2.3832084937894447     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.63786544608659868       -1.2488235690632314       0.21919594607368334     
**************************************************
     Configuration num.     82
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9779783130449491E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8377145754648492        6.9496151905254377        5.8428845108626790     
   6.3935440634849625        6.8768496639684464        6.9205299215033929     
   5.7544136403660842        7.9875976036287097        5.4763247474257710     
   4.8753098926471186        6.2780092076077780        6.0770171949006571     
   4.2349853375064308        9.0840368220172074        7.4866446296213098     
   6.9826659335030694        5.9908518057566633        4.7230679458261688     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.619572306668033     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.25957035033040493       -2.1439549374062876        3.2534816272732487     
  -1.1468957925531034       0.69120938764271544       -2.4870423056908182     
 -0.39394691352892286      -0.55979929987117583       0.27220182222800654     
   1.7066878778002379        1.8194442729964431       -1.1210241317891620     
  -1.1280889475702549E-002  -1.0631727833932117E-003   7.5273165535247773E-003
 -0.41248576224758560       0.19407742068260303        7.6861458844896952E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9335717192613515       -2.3236466110073453       -3.3144376973398471     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.98275007197884490        1.0379330472982777      -0.20727703383498294     
**************************************************
     Configuration num.     83
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9779783130449491E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9063715435672464        6.8769212985474821        5.8116918924644834     
   6.3732601062099246        7.1385370000162993        6.8908576600216893     
   5.6239573085035914        7.8035526525473733        5.3642209548232502     
   4.9280668098171310        6.2057384309098831        5.8175586305092031     
   4.2193000737581867        9.0923687893490044        7.4491266196054244     
   6.9861461551954109        6.0065414981849115        4.8164230645065809     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.636505871948881     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.0000787823279138      -0.64826143355392218        3.1111357182048103     
  -1.2960967088683522      -0.80372548849196179       -2.2627894772626083     
 -0.16985491648453613       0.91878252806489769      -0.32049526132362055     
   1.7419196971189770        1.4860910887341214       0.72258754339470255     
  -2.7736727059927017E-002   4.5314489468964145E-002   2.9984728558899339E-002
   1.7504701034656112      -0.99939864633040210       -1.2780529110326899     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.73936656901684106       0.12036410899794824       -1.3546969505819646     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.9780781124313469      -0.18694505094729538       -2.8538680966610341     
**************************************************
     Configuration num.     84
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9779783130449491E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6124498241428951        6.9078231140981474        5.7647070468129247     
   6.0737996243403547        7.2051870803385611        6.8600595061137497     
   5.1754387380100813        7.7266678348413818        5.2338712652401700     
   4.7894555728568466        6.2027493551187245        5.9809305204252396     
   4.4381663935351412        9.0903289505976996        7.5391442844160670     
   6.9668864957659418        5.9996041994900384        4.7420723050472686     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.702324952237174     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4005416609844006      -0.93988942147212173        3.0374047051193553     
 -0.99040093687519881      -0.36828102348286312       -2.9678641990137717     
  0.32894937944776526       0.86789874199145600      -0.48657152861910746     
  0.39574472163778018      -0.20786948276803766      -0.21924719410570198     
 -0.12173874614337354        5.5194988058572814E-002   9.4788144166501775E-002
  -1.0116891572045112       0.59203510865969311       0.54226514673589388     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4584207785201393      -0.14252259244209178       -3.6173961219013995     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.35825487612435208       -1.3302990729488087      -0.29933012236070461     
**************************************************
     Configuration num.     85
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9196119263558309E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7793572413830425        6.9712952046542149        5.6942089502517304     
   6.0336398657125523        7.5574888183540425        6.6617688206862429     
   5.4138484226867174        7.7929767855261032        5.0027865155860951     
   4.7912035520206651        6.4083160892570028        5.7820954022351279     
   4.4189819726071926        9.0682442263336078        7.5166221107511957     
   6.9069600767276764        5.9297623457205964        4.8593564128470037     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.776416278509714     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.8424022996750122        1.7591839346247007       0.23240466123282080     
  -2.9811983567450691E-002  -1.2611365649888413       -1.1350530303533504     
  0.81427543990682483      -0.52849505603036406       0.39114257454290069     
   1.2171411345645442       0.32745401783988942       0.57371508019803152     
  -8.0093095186915930E-002  0.14446431310535388       0.13363398842644220     
  0.92082178098100564      -0.44249320729057123      -0.19530672554089279     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.78549339438676236      -0.96284401963742461       -1.3048253689569869     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0487093986878429      -0.18703335332575469       -1.2754646010754982     
**************************************************
     Configuration num.     86
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9196119263558309E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7072715735492912        7.1016591669213796        5.6099156860907371     
   6.0291492022331497        7.5771825358826739        6.5964813941366707     
   5.7090666780816575        7.8746403398369509        4.6952097388949658     
   4.7635164944253114        6.5521443966872246        5.9025384776759786     
   4.3569766461177730        9.0330032494321735        7.5422037721670083     
   6.9637093972111286        5.8931745953529777        4.8908116991376476     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.720944611098044     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.29902313617807275        1.1873083336647170      -0.71895350585224072     
   9.0039244154678094E-002 -0.37545728426382186       -1.2997946139758370     
 -0.72448210973818239       -1.4684712968545783        2.3486502657714694     
  0.74496948016711673       0.53775987658314328      -0.96155318467887352     
  -8.9545640166798723E-002   8.4367503360183227E-002  0.10053253297705830     
 -0.32199324845835631        3.5614313786403881E-002  0.53106159445860746     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3370643384947296       -1.7906662746058288       -4.0570550447042457     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.61887379948660803        1.1415425953279210       0.96513840517738492     
**************************************************
     Configuration num.     87
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9196119263558309E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7831076270542905        7.3181315129304627        5.4918520801231967     
   5.8199458854284654        7.3779873653019585        6.6843564022282358     
   6.1231290947542023        8.0333348513337111        4.8243728050445185     
   4.7644255065188572        6.9120246534577428        5.3270357182248631     
   4.3556041342714718        8.9630325174681289        7.6199576016738941     
   6.9161737972898942        5.8537732646238503        4.8935001654059080     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.644702022284722     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.73984091313841727       -3.5180271947697075        3.2497182330071093     
  0.45529648404693179       0.55563579578220190       -2.5552625732100491     
  0.38341014384793870        1.9982120537866637      -0.72795455161825018     
  0.39570969176973814       0.47321954440616382      -0.37038685021006840     
  -9.9835010251608791E-002   8.0320167230220174E-002   9.6063093286035628E-002
 -0.39583629907352191       0.40982746910847717       0.30723750010794815     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.98564224527182187       0.31022913238147304       -2.7668642295109804     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.55049271764963870      -0.78193095682822655       0.24914852077097338     
**************************************************
     Configuration num.     88
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9196119263558309E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8946139891508222        7.2668238709748065        5.4998088728276375     
   5.9999250360190093        7.3309881941487642        6.6467721424441741     
   6.0129046843854077        8.0637425188285068        4.9719178843610461     
   4.9555511682862230        6.9113876349050836        5.4371463621314895     
   4.2255236592303786        8.8574591865431032        7.7112574389330497     
   6.9790434714651131        5.9786727506379638        4.7746750160171878     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.468345690513839     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0399396146039757       -4.4773179197981285        5.1190400000084004     
  0.46978119131277829       0.38794631454349660       -1.6360783542048527     
  0.99947342480421153        5.3036017863147915       -2.9476093495940354     
  -3.5111635117238844       -1.3244951170785897      -0.64388689285454215     
  -1.9876397248309328E-002   5.8897452420636105E-003   1.1257113620362654E-002
   2.1555829048592545E-002  0.10359073481947816        9.6896163546145303E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7512374857221595        3.7526984507371162      -0.79331192943132234     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.8712099660870791       -2.1710341522735352       0.17510861962639684     
**************************************************
     Configuration num.     89
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9196119263558309E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9562465402263616        7.2134383019242811        5.6115559224833582     
   5.9944067063357487        7.3374695952532631        6.6651624218581542     
   6.0650688930207517        8.2083125706101452        4.8487589579718966     
   4.7850263542803528        7.0091750034964031        5.4250048447251542     
   4.2033945389317955        8.7937023114394286        7.7301247293983870     
   6.9942690058681984        6.0324405919209783        4.7311397663977903     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.348099308040897     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.2399420079782550        2.3289580337534002       -4.8227186324433582     
  0.85853395316835734       0.29967917045434966        1.1733606982381866     
  -3.9458215472150122E-002  -2.1165436658497745        2.7761970893489849     
   2.4057250106373038      -0.12091138802951999       0.32930382957171800     
  -2.4523265271469009E-002   9.4036046860160229E-003   4.7011838921005959E-002
   4.0058141528360659E-002 -0.39980759686711242       0.49928517879936268     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9318213945511649       -1.8756303010739765       -1.6463895199822525     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.45233111058036635        2.1194483517739298       0.38748673678223805     
**************************************************
     Configuration num.     90
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9873484835197794E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8827834854599992        7.2294789164735667        5.6101696075947416     
   6.1492047259846414        7.4042207167736551        6.5999455851441384     
   6.3754661311464034        8.0953990278987185        5.2327697212739643     
   4.8691077814882933        7.0531727730816520        5.5768988473361096     
   4.1766948690854111        8.7339166178088679        7.7218119724781280     
   6.9838845928688080        6.0870361686382060        4.6868166197649277     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.502243795504910     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0385494957610124       0.44162052530298274       -1.0504404471718141     
  0.60604991996702740      -0.90130586574439131        2.4785965550364444     
  -1.0331581925731066        1.5159485322290671      -0.99347553292504798     
  -2.2871735470664190      -0.33923505912698193      -0.77939716018965033     
  -3.2014542411790706E-002   5.8977923506135572E-002   2.3856272758351303E-002
 -0.29219035539697363      -0.77496575875329143       0.32016171691504247     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0649929431746201        1.5361601916496233        1.9179585162600510     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.3524437114836014E-002 -0.58608038632462878        1.1930261337721693     
**************************************************
     Configuration num.     91
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9873484835197794E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0369502500572878        7.1781529134355742        5.7517952611021039     
   5.9196973587525648        6.8838047692284832        6.6820240140934981     
   6.5993363949907264        8.0796276554971094        5.8918677367057120     
   4.9871398827477025        7.2165964634359785        5.2620187093539075     
   4.0383947570854097        8.7027592365001478        7.7571009252046865     
   7.0572740625800172        6.1776393271973458        4.5554497342859168     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.560133017339240     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1862986578115344        1.2434995534463644       -5.5052633979806993     
 -0.40247701722128765       -2.7851058402307292        4.6174704107390792     
  -9.1453450304960049E-002   1.1048573302758937      -0.64280588753302703     
   1.8043005518081938       0.54197313345421516       0.79350414988476126     
   7.2593799982765259E-002  -4.3899281891818971E-002  -3.2059867092234011E-002
 -0.19627134981508837       -6.0179372708544274E-002  0.77022083585467338     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.5387815883626508        1.1868489294008706        2.1367196010875702     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.39522802259688589       -2.5259959281177999      -0.78317250182741227     
**************************************************
     Configuration num.     92
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9873484835197794E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9952711783839376        7.1647531952840779        5.7400447820113021     
   5.7756297893988737        6.7183111599926821        6.8783658904010085     
   6.6934902597883417        8.0408014028108763        5.9163154108120155     
   5.1258207441243613        7.4163830556886268        5.2486006546456547     
   4.0015235086875967        8.6930070462694289        7.7866753990075148     
   7.0982504276840697        6.1924426299825805        4.5064593865524607     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.538981222109669     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.3116331564491959      -0.39070918223019330        3.6208673302041530     
  0.53892740388174643       0.57833110286024303       -3.1357948841948051     
  -1.1277447946154182      -0.65605080195266008      -0.15712973720995460     
  -2.0213224511624954       0.50673886669322810       -1.1072209509326250     
   9.7795643697486390E-002  -8.1728186317284346E-002  -6.4785721368285892E-002
 -0.79932994393660817        4.0116541321939390E-002  0.84305119958407315     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.67109311924202342       -1.2763117567802351       -4.3359489825962125     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.71883981570790334        4.0465679292569397E-002   2.4258153833664355     
**************************************************
     Configuration num.     93
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9873484835197794E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0385497995275070        7.2080701975788788        5.7720119488594097     
   5.7062858335782431        6.4093283934962511        6.5319846921204956     
   6.6406557730625417        7.9683994517532266        5.9946333043238802     
   5.2044855353048103        7.4694203052118180        5.3202280220195295     
   3.9572380573704549        8.6873655125258011        7.8444308013534521     
   7.1327831101779378        6.2204548899711112        4.4600369069088757     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.427607215531907     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1100097192635852       -6.3352019453059345        1.1601324778920312     
   1.0933157611293973        1.4298914978807105      -0.66507563720170826     
   2.4046877317095587        2.9272520875234096        1.5631798445677512     
  -3.9536419262587463        1.4833201785189190       -2.6459649561830552     
  0.13591009599906367       -9.3680385238388925E-002 -0.14811309798868688     
 -0.79008786069426229       0.58989497641204447       0.73339699532504243     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4906330846416309       0.16752517522223187      -0.66675657410561462     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.85636108958594470        5.1781669090019057E-002   4.1515670531812887     
**************************************************
     Configuration num.     94
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.9873484835197794E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0616925835942466        7.0927315978941223        5.6982392825586912     
   5.8466301078581173        6.3470519277080424        6.3858035629174568     
   6.7163695768827720        7.9887912164491208        6.1854074107698169     
   5.0044368154118706        7.5168345232727427        5.2142899622026837     
   3.9507634536794742        8.7040697591392338        7.8846270461981787     
   7.1296109868710857        6.2422019409330369        4.4517551354580425     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.542529778730110     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.31020800890778016        4.0028685481269557       -1.6676431344287090     
 -0.52930106611866012       -1.2795630772296414        1.6232809524332130     
  -1.7388853277645822       -2.0442058337728675       -1.1338121090800053     
   2.8619297426485524      -0.96591756223267045        1.1546340306589120     
   7.5120477265186933E-002  -6.3404501333251415E-002  -9.8557472660100967E-002
 -0.35889308298972478       0.35052463322552047       0.12244886964683349     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.6799743928051560       -2.0454598128028163      -0.76166351289095913     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.45570120520073554       -1.8516640180830521       -1.7891152614603463     
**************************************************
     Configuration num.     95
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7501541891259518E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0002742144458381        7.0779748633399571        5.7141268940124323     
   5.9514173565292134        6.1576573407478117        6.3309496523524631     
   6.7227411894565980        7.7644467686748113        6.0339483473513464     
   5.2142732038630824        7.4523163326942132        5.2370506757934736     
   3.9626183350265989        8.7289870733337747        7.8959477844642478     
   7.1023473963331174        6.2762435876157818        4.4557612507840458     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.510758167395576     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.8895210687418258       -3.7255894774067930        1.2433025132462496     
 -0.93888450129950651        1.1760590883837780       0.34666612538088781     
  0.37018451127477336        1.4218398333701292        1.2611409403855163     
  -3.6281961940916077        1.4319050624345571       -1.6387957473436736     
   9.4580628278560674E-002  -7.1530582681103475E-002 -0.12020729454659730     
  0.21225915278989485      -0.23228552243571651       -1.0926211578901155     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4615669839934480       -6.4343908156312302E-002   1.8711693869046049     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.22199472621056307       0.55125521405490585        1.1411095977473378     
**************************************************
     Configuration num.     96
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7072401111703243E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0601105272828404        6.9588490413303594        5.7783963240323519     
   5.7202020607330741        6.1416125569291466        6.3975732365757132     
   6.7414862953145995        7.8832186625866196        6.0497166278916374     
   5.1358515108451570        7.4673037937761029        5.1762968017736153     
   3.9916797248395697        8.7364343180982598        7.8933727495030261     
   7.0858342698078536        6.2958733733834693        4.4341213508471240     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.494726035772374     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.64927685317398753        3.8490472306646089       -2.7797250446015234     
  0.21308877206174362       0.20166028745586831       0.74209542480546720     
  -1.7002271174201449       -2.0552002841442247       0.73332391906370709     
   1.8190035742968240       -1.2452648684936622        1.7707114234398413     
   5.8574272597935087E-002  -5.9275492209897591E-002  -7.4619716403550709E-002
  0.25793310519975565      -0.69071045789563967      -0.39022616879402650     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9946343086437737       -2.6491164624710319      -0.45050319201402905     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.80821776942895174        1.0048830040103149       -1.4846537825204968     
**************************************************
     Configuration num.     97
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7072401111703243E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0639704747350534        6.9599760966987878        5.7171265675269289     
   5.5406145070603969        6.2753599499567745        6.5473313120003969     
   6.6021555723504610        7.8830276515652820        6.1860032631350856     
   5.2216170943005435        7.3454479904923939        5.3444812752173565     
   4.0298159539914469        8.7324484339250041        7.8872006172558775     
   7.0726958953897681        6.2981573035071259        4.4098022498823903     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.470743035372834     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0734175635065757      -0.18292820572980123        3.9472112226808003     
   1.9607965179908966       0.76131234757913691       -1.4495428506724690     
 -0.72450235858614276       -1.8202021077884851      -0.40187026540166321     
  -3.3346783830131899        1.7806970114372043       -2.1817680886773863     
   6.3022768231358592E-002  -8.2435724604246446E-002  -8.4854686426348400E-002
  -3.9543109184552019E-002 -0.45605183554688267       0.17084321170389388     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.66007687263809800       -1.7461716684647388       -1.3447444905109265     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.8898163541032478      -0.45093650491456688        2.5201500621932769     
**************************************************
     Configuration num.     98
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7072401111703243E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0525160348825402        6.9255870511303481        5.8110242857146135     
   5.7351557629739638        6.3105750155573590        6.5421956148451281     
   6.4404793580909354        7.7727714426427905        6.2810301202181726     
   5.0340727644293288        7.3800196743643003        5.3028477418464659     
   4.0411790191389620        8.7329475894448692        7.8528200330292641     
   7.0826651978821484        6.3138746787215414        4.4069268614302466     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.502017450384074     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.6884604307490299        2.8589628316643338       -4.8963549237115416     
 -0.70529870558062413       -3.1327798365243802        2.1965142560965649     
   1.3348369447012498        1.5427434617761557       0.55450824402629095     
   2.3103569729729516       -1.1900602032468481        1.1403003691030247     
   8.3364748208908462E-002  -7.7433134726884484E-002  -6.3753816400581045E-002
 -0.33672359176575090        7.2364283304589966E-004   1.0688254660642416     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4296992082455700        1.8312512408069617      -0.77178640434774304     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.7420746571229957       -1.0581925564016934      -0.35198930527223060     
**************************************************
     Configuration num.     99
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7072401111703243E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8535914669873037        7.0065240536767739        5.8230979120391595     
   5.9194901689516897        5.9656854265848747        6.4227018870545614     
   6.2989607538027617        7.8856895708825760        6.3114597118686051     
   4.8868709635446699        7.0376593219135657        5.5486793602674727     
   4.0842082665398527        8.7090558306094952        7.7408932443227032     
   7.1188063163676443        6.3751453029603704        4.4970759090455736     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.458979095863466     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.5661666401143721       -3.6799772489610891        2.3504150792750611     
 -0.12283875915942548        2.6735238444711431      -0.41868008487420227     
 -0.35377284050929664      -0.37629117631480746      -0.14354291516141215     
  -3.3054478213305045       0.75820206940535384       -1.8125091068677088     
   1.1738674209313483E-002  -5.1644278398696460E-002  -1.7816063595434854E-002
 -0.79387411212082548       0.67597820579325973        4.2153506863414195E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3749010699607760       -3.8299040667924271      -0.34436572540954247     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.23914432532957872       0.16008323136147898        1.6403789601789605     
**************************************************
     Configuration num.    100
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.7072401111703243E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9094297943691130        6.8705971913510391        5.7993819638397994     
   5.9935438316490437        6.1146810407589376        6.4293401869114550     
   6.1126427863287596        7.9085155909868901        6.2813641087784475     
   4.7609887266737010        7.0766481825077312        5.4967540981330014     
   4.0784700662196780        8.6857535982056522        7.7199836346624586     
   7.1324962278662110        6.4207129448896199        4.5345252336888482     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.509038667464893     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2896113449739808        5.5442792764040654       -2.4259190040840637     
   6.0252662979132357E-002  -3.2910579531631061        3.3143902027310657     
  0.15038743078933314       -1.6781408415362413      -0.59640400740954425     
   2.4530288870462598      -0.86969992980391819        8.6006590640594696E-003
  -2.8846082663389030E-002   9.1017530197298399E-003   8.0630447660570339E-003
 -0.34550413164298199       0.28419697230733520      -0.30742284793254437     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.3504144915712950       -9.0258100015121051E-002   1.5980608376125047     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.67648882251406117       -2.7441120980151292      -0.19763555173883685     
**************************************************
     Configuration num.    101
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.4001016265264702E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0853337714226639        7.1823498902919161        5.7078638550317375     
   5.7866854929153426        6.3781260855675610        6.3683593838486079     
   6.6427820163686206        7.9433643409241297        6.4208849030913671     
   5.1721089371876570        7.6099165956949673        5.0253432584623745     
   3.9131473057188262        8.9050962695866325        7.6883581915934727     
   7.1553659639214384        6.0019312838967256        4.6414816049889014     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.437447193103935     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.79043135361566619       0.73062845576975410      -0.24929606211824706     
 -0.93046122820126020       0.20501724305722788       0.36432299618519848     
 -0.76926244465076710       -1.1086947871483315       -2.0040074189227477     
   2.4010653000450510      -0.86108837061087395        1.8227179486720571     
  0.13590356745618692       -7.7450139294448703E-002 -0.10214729070560204     
  -4.5761053769650506E-002   1.1110528792301642       0.16836064605454043     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9108721556728425       -3.0685251253137715       -3.0430691185808767     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3843717431131268       -1.3230905245846492       -2.2567882887887705     
**************************************************
     Configuration num.    102
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.4001016265264702E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1421277352072305        7.2068036091621028        5.7277384247859651     
   5.6634878084089273        6.3010248078841018        6.1505804984391634     
   6.7247476718028913        7.9086403200384510        6.2611480121504774     
   5.3306478193851046        7.5457630508616482        5.1243254717185431     
   3.8989198122778985        8.9399342473779981        7.7047452529938667     
   7.1371172293557761        5.9786636035769432        4.6497869756833552     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.483253857439422     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1718804800374778       -3.6886674735233416       -1.0225624574166772     
  0.17770983678449223        1.2553158746179838        1.5174576226962393     
  0.63634347376727507       0.48798692214167427       0.69991557395384307     
 -0.22931999419663390        1.1078593751855437      -0.79272283829298440     
  0.13510909125427775       -7.9992224026271638E-002 -0.12569182102704834     
  0.45098584222494820       0.91749220975193324      -0.27541351788605156     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.10063067491981277       -2.0478635642558598       0.94273204752523510     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.5765839531931889E-002 -0.97240812308863422       0.32894343949739197     
**************************************************
     Configuration num.    103
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.4001016265264702E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8721560387603482        7.3454517019023493        5.6896628743810407     
   4.9480486640033421        6.9511587505616550        6.0214954682032049     
   6.3166265707156928        7.7137473893950927        6.6075947822340684     
   5.6641288686136146        7.9397572661145102        4.7995491955960796     
   4.1067011123495165        8.8913274192986034        7.3743547596651009     
   7.1099397380191203        5.8844829905074549        5.0051960451837649     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.743887528519508     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.87304181797612745      -0.81595439434744221      -0.51614835648802904     
  -1.0390512900025539       -1.2591735015023140       0.14731652456291017     
  0.63844390717017474       0.54858396258458142      -0.37714510848004135     
  0.60325004466316468       0.42961966526334583       0.22772978896325102     
  -9.7015344363395623E-002  0.12977859681091308        2.9197347076770078E-002
 -0.97753902883095822       0.96368805438621918       0.48763510862207432     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.38739130737897054      -0.68565696552167976       -1.2311902952371609     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.1377119836322036      -0.70198145863023020       0.21774535223799180     
**************************************************
     Configuration num.    104
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.4001016265264702E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8370314193604669        7.3805431542620221        5.6647827582152193     
   4.8605440405075493        7.0072324748860879        6.1015566751227270     
   6.2822418875592154        7.7703329671654231        6.5862845550090388     
   5.6641897976640294        8.0462323918408529        4.7927055687051361     
   4.1296169883151483        8.8831033082530961        7.3584629138564575     
   7.1126689503117300        5.8560946528017590        5.0236604705781547     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.613578361454984     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.71079878415656350      -0.93820471363163827       0.53746460495920600     
  0.85642472089283939      -0.39756473933058556       -1.0067331324017859     
  0.68944698652075498       0.26977092639926226      -0.59672134499175211     
  0.48374770398043304      -0.36301308444417690       0.54159015298256996     
 -0.17155166557198898       0.21237856138420724        9.2322843658809328E-002
  -1.1441879943847431        1.2157570460056220       0.43276421000815934     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0742775991183424       -1.8329168301406997       -1.9461983041225692     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6591452780457983       -5.2275962480665600E-002  0.96599089816595585     
**************************************************
     Configuration num.    105
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.4001016265264702E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7978001447231700        7.3614639837864750        5.6523271988344295     
   4.9020638331857382        6.9635022254618653        6.1125740642669983     
   6.3424154911307333        7.8512355561539557        6.4911960953804480     
   5.7633101802456475        8.0679442594162385        4.8405198173335950     
   4.1542905096915241        8.8826050643331893        7.3426758211968970     
   7.0786295564941843        5.8564130272613379        5.0477580309314520     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.715425468516283     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9352560220170969      -0.18435156228275551        1.3393753610618648     
 -0.31878886268197010      -0.50929622589188728      -0.56834141537981275     
   3.0491354804248149E-002 -0.53434001595993186      -0.52691171366756562     
 -0.39979236497364862       -9.0532218833939845E-002 -0.66313906906535691     
 -0.21113747857151943       0.25885625007478663       0.10927753006004605     
  -1.0366814145818082        1.0595122335416962       0.30984982044569348     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0624065431850793       -1.6561326308487549      -0.65085794808369779     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0532052275727075      -0.76881397660697426       0.45385783907871524     
**************************************************
     Configuration num.    106
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.2173850102963635E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7748772692947874        7.1957903165944685        5.6519799081266298     
   4.7804658991815101        6.6486668786259022        5.8072216947882849     
   6.0940309003449045        7.6878584754443891        6.6092915188413324     
   5.6225781128341747        8.1140513091115398        5.0446765411632573     
   4.3229795942302101        8.8472971977521517        7.3664434100259308     
   6.9753280280318926        5.9966013814751342        5.0222013748145757     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.795317580020313     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2218524552294228       0.43842751745006486       0.97370805736017474     
   1.3846307350134126       0.79143314827446454      -0.16687468579940140     
  -3.0330987516391988E-002  -1.0509924575636918      -0.41887201456696388     
  0.14031271535513679      -0.79398821555166499      -0.50986641647159037     
 -0.50846037385373544       0.56484117206368445       0.44426845047263419     
  0.23391777467322375        4.9756923104299043E-002 -0.32214965030122511     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.80009899430631737       -1.1751447487241136       0.30715405241241328     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6022583903787901       0.47993276410017921      -0.83846267917839046     
**************************************************
     Configuration num.    107
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.2173850102963635E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7568474485738390        7.1997634695428152        5.6418051476161155     
   4.8890058890341246        6.5788890757173029        5.8760416561203455     
   5.9993452063594859        7.6486937158049946        6.6027101967165525     
   5.4751564000083262        8.0815252964429316        5.0224317958179165     
   4.3212600843260649        8.8595963361293375        7.4075004859234630     
   6.9982256002865828        5.9989174452191740        4.9800790427481445     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.837856214444631     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.60971625344729752       -4.7727670512766662E-002  0.16074203751816585     
 -0.17145681572673860        6.7160843056784603E-002 -0.32183392169447500     
  0.84369134819867342      -0.18946131727723822       0.24494188283870313     
  0.42614874532057290      -0.83154664424995817      -0.34721634967957798     
 -0.44774307323044998       0.45053726787479875       0.38350334377591422     
  -3.9891112992625918E-002  0.55094131241052136      -0.12128821808599635     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.30435166478266967       -1.1655437806794693       0.55675691146757378     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.17396307565350266       0.69818661580926999      -0.22668546394763467     
**************************************************
     Configuration num.    108
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.2173850102963635E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7678690268724297        7.2073200596576159        5.6293833508861653     
   4.8839882745747190        6.5850896065783857        5.9276092784866155     
   5.9153937628223199        7.7492377906563208        6.6319638360502848     
   5.3995810449051227        8.0560306863956885        5.0204359865126023     
   4.3358948620287272        8.8515874169130129        7.3987082146572183     
   6.9984216542612048        5.9951992274786949        4.9841861361999502     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.615541504506837     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3742796923900884      -0.10388583271738702        1.8050518453560958     
  0.50490788964449418       0.30201849180886792      -0.59629159030420076     
  0.95120160278980703      -0.84418214025779981      -0.94370997628981490     
  0.58283567542492665      -0.64454745255226453      -0.70290925487836198     
 -0.54417513958172159       0.55807153863980297       0.49714767629667178     
 -0.12043664330041325       0.73247607270981008       -6.1872444103098161E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.34441088859712582       -1.5148096830839854      -0.26334606138573663     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5168489898865186E-002  0.11979907359656200      -0.11616443260474431     
**************************************************
     Configuration num.    109
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1335294852411607E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7396681691057871        7.2531737625936543        5.6992062576006495     
   4.9374126759385648        6.6209062591525676        5.9296417775490973     
   5.8609603115374211        7.7396536127171114        6.6380183860341564     
   5.4265332322175954        8.0060550129126664        4.9780890087559397     
   4.3418741765470656        8.8384593349813372        7.3743097579345616     
   6.9990693657510894        5.9954715276550168        4.9887949215913672     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.556755924435265     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.42337116771454736      -0.67527616740703422       -1.3587721930196459     
  -1.4761853344485543       -1.1578171549008731       -5.3405245489958161E-002
   1.6772505546292666       0.40480329108358626        1.0431867940017527     
  0.36899062860050513      -0.10493816498765864      -0.51271747003376156     
 -0.78045481175332210       0.70786084054393972       0.61477304740676209     
 -0.21400393974718071       0.82458927091605072       0.26589647421372425     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4623548176521779       0.39364540459162628        1.5060290170919597     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.99554453799551734       0.70283596399852388      -0.16036131314624383     
**************************************************
     Configuration num.    110
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1335294852411607E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7164392359931933        7.2586561338530791        5.7332871606711473     
   4.8579292349561554        6.5560958839950629        5.8923102255115607     
   6.0633881474155285        7.7064791839856293        6.7219580074980465     
   5.5692249895832378        7.9113557156997993        4.8626806810133756     
   4.3174419138270554        8.8182262405392340        7.3452469182252118     
   7.0014007655418720        6.0355869351090057        5.0140740280901337     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.741859588256602     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   5.6325619593769374E-002  -1.1209517936101889       0.45960098342927952     
  0.56421718999124848       0.85702410283280483       -2.3319522546856451E-002
 -0.12154583117273160      -0.57401750604114365       -1.5894463096288172     
  -8.2308805468409824E-002  0.22823605167497524       0.61004655226181548     
 -0.71420689487749056       0.66987470711841679       0.52535415220808324     
  0.29889551626955224       -5.8379428841217954E-002   1.8082131142124432E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.36689806363392802       -5.5603173627110702E-002  -1.6491152786500494     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8002070537025783       0.43709174551274776       -1.2057752622994202     
**************************************************
     Configuration num.    111
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1335294852411607E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7035676802355484        7.2194129983332891        5.7248644026656796     
   4.8209835606446454        6.6537723345882318        5.8579769687160876     
   6.2217215699483193        7.6338784422099977        6.5547773595057928     
   5.6719669193849223        7.8968309814113606        4.8761728861763558     
   4.2998014486121772        8.7570311539735393        7.3296245236127815     
   6.9981144133961068        6.1088866504116712        5.0537635692036389     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.686036548675474     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4504070099251152       0.38601343355813517       -1.4437455117386333     
 -0.82837573128878705      -0.51073547368730710       0.47002840772741056     
 -0.21941500695718258       0.28489080827966845       0.79627475386071145     
 -0.61509080513337588       0.54399971279597925       0.26227155664082463     
 -0.67598594940248480       0.64275554247961186       0.49695507408686956     
  0.88914050004551948       -1.3465323918977972      -0.58012327774209294     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.0655800025968314        2.5526950946190259        1.0536822762596327     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8923029633307182        1.5032494301126911       -1.3295409369362681     
**************************************************
     Configuration num.    112
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1335294852411607E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0444502372241118        7.2877063750469189        5.3104785012668216     
   5.4327895782872888        7.1297130862370004        6.1618381772878230     
   6.5909344037822937        8.2333540999537878        5.3246613625473485     
   5.4089554706128657        7.1696201035103364        4.3871626103687333     
   3.9854626819021730        8.9286915277640677        7.4847917422853953     
   7.1159572558456059        5.8748029591677993        5.1986626162484306     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.975236783425089     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.58276887268574673      -0.41262565396980577       -1.9527244236322074     
 -0.70996827208255342       0.35660682773758873        1.1164296661824484     
   5.5406566600716009E-002  -7.9044997011313387E-002   8.9191476125588004E-002
  0.37693787930182016       0.60622133118622801       0.74956904079267805     
   1.9207628860954265E-003  -1.6913296171195330E-002  -1.8899981955800664E-002
  0.85955247236783872      -0.45517330212200613        1.6378441514212090E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.60075641230506294       -6.9982745303415944E-002 -0.33166512926328512     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.98606604650503094      -0.23253114638695033      -0.94367739679200169     
**************************************************
     Configuration num.    113
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1335294852411607E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0412247868906075        7.2363766541655368        5.2370477579633574     
   5.4748180727230435        7.0817486064783308        6.1886132136244836     
   6.6190262240991320        8.1540873651643100        5.1799028352998828     
   5.3436283853244539        7.2434663105748012        4.4386250957134132     
   3.9862241963513645        8.9306525923461653        7.5175270707648894     
   7.1157476824479184        5.8962549007471274        5.1983098979876052     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.886840295393768     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.76729366216888750       0.52780361293616940        1.7594764310002386     
  0.19279581900611981        1.0300237618078971      -0.49516752853472934     
   1.7401778479691255E-002  0.33244558308979932       0.42890573767899487     
 -0.77122486142896418      -0.28929154101796245       -1.1152049261555264     
   2.6117803732023191E-003  -3.5145965798362822E-002  -1.7412585986134734E-002
   1.3281261384887033       -1.5639376944045054      -0.55928396532401614     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2603664930556768        1.5652819038028034      -0.19101748874602043     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6426694487536178        1.0688586119208852       0.69650876167693654     
**************************************************
     Configuration num.    114
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9998216797274734E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9558249930265310        7.3618984567058954        5.3137396365261012     
   5.3658946139461499        7.5699505986325457        6.2292940355524138     
   6.5651917628606320        8.1576169831983716        4.9707731844278138     
   5.2136537692761067        7.1861020887161207        4.4059091941622279     
   4.0315400461523785        8.8398448764522026        7.5311685799347670     
   7.1323918097533952        5.8955298289043547        5.1813827082988499     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.809127340292434     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5047600326952710       -1.6098670928149508       -2.7321051012682234     
  0.37764089708990550      -0.34088233068931167       0.38302172098680343     
  0.75601360391172912        1.1643399088122326        7.4716549522069367E-002
   1.1247126110151668       0.15632217946696805        1.7688405895554149     
  -3.3185698474904018E-002   1.6909979456430455E-002   8.4686699481322791E-003
 -0.71937872339875797       0.61306122063875801       0.49629574060087278     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7134215727476108      -0.49330106666377516       -1.7319778422169343     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4026150635634274      -0.83992412799324456      -0.82368011572148592     
**************************************************
     Configuration num.    115
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9998216797274734E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0389532706466849        7.4872664123600803        5.4740930364256624     
   5.6102815481606330        7.5895495605274448        6.5283281672125293     
   6.6197367580603217        8.3545108411238562        5.0021863739794359     
   5.0751775367373826        7.4016873758926884        4.9128345595513769     
   4.0358381786880333        8.7407428877653182        7.4008955003409129     
   7.0818274506643411        5.9034094402649178        5.1628532766074251     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.789434777034785     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.33789782216805214       0.10749214793433495      -0.71095518443890793     
   1.1310658628360546        4.9462673576431755E-002 -0.59783161485203684     
 -0.52005492306469958       -1.0601988340355097        1.0181329278896243     
  0.71136056451288909      -0.33831907894996699      -0.12425401593811478     
 -0.23992952959184638       0.16855806164323664       0.19723193676748194     
 -0.74361897665958221        1.0740839571647289       0.21529025092267395     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0467971399266238       -2.6355901209309174       -1.1662348425646900     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.47976816959611934       0.65331936700874105       0.75276322981039889     
**************************************************
     Configuration num.    116
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9998216797274734E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1778950292761943        7.3777730442863243        5.6747397149821763     
   6.1154948325839609        7.3958276872713204        6.7929111204957087     
   6.7760205582942703        8.2721239922290870        5.3262218450915775     
   5.0987107791236053        7.4821968131571950        5.4395105662639756     
   3.9454624108483904        8.6784708688548911        7.3454914352701293     
   7.0478427759159716        6.0248449145523058        5.0244473684580564     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.886940689251333     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.12477393591230382        2.2224503781375393        1.0032568755244498     
  0.43166183330340269      -0.22598303395051619      -0.61060846762828358     
 -0.88425887611966425      -0.50142555438743397       0.42447046395983046     
  0.43709672787515136      -0.29550190239423740      -0.50667089047699121     
 -0.21265219722116757       0.15774778087595465       0.15279816954102649     
  0.35210317574587546       -1.3566000142955734      -0.46252540427346062     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.66248390810953472       0.99994322136365787      -0.62911697016247892     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3602370868375122        1.0399146141096636        9.9789637927443331E-002
**************************************************
     Configuration num.    117
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9998216797274734E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1871503605111275        7.3940032970491627        5.6556070902604239     
   6.1670147268936537        7.3950827780888497        6.7396469867474202     
   6.7046301498782643        8.2839413719227295        5.4058743104042390     
   5.0922101201336130        7.5324039387927151        5.5619909179917855     
   3.9637075112598095        8.6775102505190098        7.3384960868596876     
   7.0294374326174172        6.0133930445086090        5.0211284196965886     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.800604832652656     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1475727822933459       0.52746386721592875        1.4379281939983080     
  0.49176573625025555      -0.39573935089712431       0.63950230507352734     
  0.55761578394666267        1.0783383598477818      -0.70321265607117733     
  0.12292157422526984      -0.47701027875013197      -0.96543392737842604     
 -0.23106705059122154       0.17749142295900738       0.15717240546556460     
  0.20693652247284031      -0.91017736438983499      -0.56572146688747760     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.31038845975487855        1.7320772360346757       0.96130815715461115     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.1637624161436663E-002  0.20092871857470937      -0.12173872799355710     
**************************************************
     Configuration num.    118
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9998216797274734E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1834310658226457        7.3898588050471474        5.5915408893547935     
   6.3104235873174543        7.3035410012013635        6.6980847163930184     
   6.6184306931445569        8.4271903061137223        5.3901357674030193     
   5.1470329452863783        7.5630024781718657        5.5545461898837649     
   3.9642480358118979        8.6657414228299974        7.3317705170429006     
   7.0175168706392101        6.0172797947064494        5.0568637011014514     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.516992036015836     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5764290009795674        2.9794417232127191        3.1337086651146278     
 -0.23983342288889054       0.42101360233539731      -0.39653228319290446     
  0.10572192460613940       -1.3176401093606738      -0.38281568059430698     
  -1.9846645493199957      -0.67169250243539724      -0.84504499009479628     
 -0.21710493813621656       0.17525770747790564       0.13244246854819663     
  0.75798434524283420       -1.5875499801304913       -1.6411606156464225     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4781210082101492       0.37161752025819200       0.23290946732541426     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4019132955188063        1.7585000394988679      -0.91596824153320211     
**************************************************
     Configuration num.    119
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1100720027027303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1412321719739067        7.5771692480156219        5.6996429970820293     
   6.3944273423245237        7.2327373734930331        6.6838888893763846     
   6.6214753331889851        8.4250191061016224        5.2212628653301696     
   5.1024520953728230        7.4810887514783628        5.4431007805041238     
   3.9685754360178320        8.6582081224101675        7.3300030554836901     
   7.0226944695437972        5.9788302019201023        5.0552363057505199     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.673164657484676     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.67190827115509255       -1.6706176215373518      -0.47809026466229582     
 -0.37180420969719669        1.2740804991646977       0.85865991641215733     
  0.29529814331556065       0.18318932397647053       0.31154210767028823     
 -0.46966746250098279      -0.11003802531814683        3.5459915573493601E-002
 -0.15634412421181654       0.20016144433030175       0.11921031456724780     
   2.9928198541344122E-002  0.12074345057824028      -0.84662207749832974     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.38006918104115545      -0.69315927504551367       0.80984815878259120     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.21785152184958104        1.3117976598011944      -0.59905133562833601     
**************************************************
     Configuration num.    120
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1100720027027303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0862397362943588        7.6179639829625447        5.7281441083828106     
   6.3328898846294610        7.3790186887633631        6.7759995503680113     
   6.6751098671136404        8.3800802464907083        5.1963231997426194     
   5.0695010785358070        7.3478610922999419        5.3634442145015404     
   3.9736091478856372        8.6707908505359779        7.3425717855510761     
   7.0409008193739213        5.9560242275987250        5.0344204720405727     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.667787429324335     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.38312805799098720       -2.1541086193193828      -0.43765891792808859     
 -0.53904645171234744       0.76305574380895114      -0.46873677219052257     
 -0.50555239605661151        9.5866877751377380E-002  0.41314378669614737     
  0.78067668090705999       0.68213836462602195       0.55270602135379132     
  -7.3171153458195734E-002  0.20066663491944489        6.2141903189732041E-002
  -4.5617610183979487E-002  0.41357596837579935      -0.12005859345517898     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4551361281390369       -1.1539961860599686       -1.1615737656463998     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.39880287708192336       0.47092426227968331      -0.59640335851732296     
**************************************************
     Configuration num.    121
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1100720027027303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1116282450859565        7.4683617450208510        5.7012466090689022     
   6.1659853663148665        7.7474715410060480        6.8344613603763280     
   6.6562341068359192        8.3398446646046800        5.2519801859201953     
   5.1532326400156609        7.3565317369953851        5.3794753965830866     
   4.0000527394279990        8.7003865851924225        7.3508599206076095     
   7.0173696326873944        5.9391021967109108        5.0205606209427902     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.641869489407323     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.9617797390925369        1.3939543619936778        1.6961519817874045     
 -0.17831757387580996       -1.4668275917752993       -1.5566604216771336     
 -0.55816247523398765      -0.62225855579204215      -0.22071723926238923     
  -2.7759224539090139      -0.23881307501278901      -0.77447542565666672     
 -0.22074071265120807       0.26977963907451108       0.19575111936989736     
 -0.22743788801008943       0.66577500846808302       0.66075910592069809     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9435888953203080       -1.9351251826770217       -1.9127911884039404     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.10760964286541555       -1.2306422500735377       0.68801217307323037     
**************************************************
     Configuration num.    122
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1100720027027303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2590762161050799        7.3775086931237750        5.7150802672331702     
   6.0521810836453609        7.7436298050189682        6.7075024340881750     
   6.6071158055849644        8.2476468157236411        5.2122584545454931     
   5.1108574680135543        7.4035242146205373        5.3915659995091545     
   4.0011866201787480        8.7372696313460203        7.3463947482894483     
   6.9894451684537131        5.9385327047080985        5.0377808252959326     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.415416926991156     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.0292388179462835       0.93377569610575328       -1.9408147229777264     
  0.67688944831779507       -1.0370191707414602        1.6723626203447735     
  0.93006345270817325       0.80861175510981809      -0.82300405270376875     
   2.0158781624412851      -0.37724457485414253       0.41576460628747153     
 -0.16102231449176146       0.20833651576665205       0.16378256374561603     
  0.56730542503887427      -0.53640153364504728       0.51297174844542037     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6900264425999172       0.81608878383719852        1.2056441713201151     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   7.8699121886420420E-002 -0.57296410970131229       -1.0003856455926430     
**************************************************
     Configuration num.    123
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1100720027027303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1544659768237766        7.4403079068234685        5.6146566362578270     
   6.1835032387226496        7.3653992976318179        6.8008402843255675     
   6.7400213473819521        8.2336965667448485        5.0624242755398408     
   5.1461720528754507        7.3093657107124796        5.3666862412486802     
   4.0061039733567352        8.7871363228523744        7.3383930356660443     
   6.9861723716479096        5.9222619200459885        5.0889860067304333     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.732360199461024     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.1862856740725549      -0.25399305497349633        2.3071335772092119     
  0.12065709791811062       0.94532736938778439       -2.4486211655222281     
 -0.94760042869558025      -0.33708677548757293        1.0429719488114255     
  -1.6001429495317201       0.28887020032060939      -0.62032405367920185     
 -0.15702618040299005       0.12611569378427018       0.12145418836691842     
  0.39713489976478683      -0.76653220737847105      -0.40175604243280622     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1427709401530530       0.45897937709569170       -3.1721797409682755     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2370050653304303        1.6946845444097411       0.54071864397996661     
**************************************************
     Configuration num.    124
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.0126390318759599E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0639755842022653        7.4628789253907684        5.6163520861785008     
   6.3415734388800367        7.3047366432547101        6.5664373236442986     
   6.6575581881334331        8.2280639654986452        5.1821884813148111     
   5.1044190645463852        7.1631933311726881        5.2492366513427768     
   4.0299040686392678        8.8156947706746767        7.3439824729493477     
   6.9892096073516914        5.9100284669107550        5.1090076412958192     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.446736086122655     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.43264192860396894       -1.5751285205489542       -2.5956993928125462     
 -0.30332330138237001       0.33757897545038640        3.9042282541893032     
 -0.10046335286178115        1.1283805585010338      -0.70374963805332857     
 -0.74489637407376530       0.83174117434375450       0.26361127621060243     
  -3.4091343233420002E-002  0.10793464517930323        1.0908152240052978E-002
  0.74970620318423054      -0.82886602747786520      -0.87659948759617734     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.75540868402338257        1.3901842944304728        3.5028479638224801     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.91391490946577969       0.11406231699141206      -0.37015259540767464     
**************************************************
     Configuration num.    125
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.0126390318759599E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7737235989091529        6.7828173545711374        5.5212352723542963     
   5.5884743844988831        6.7070225952309270        6.6523271191815159     
   5.6721949918711472        7.8228756063821736        5.3538003992699146     
   5.1131084500433452        6.2675419899169560        4.8746453636561879     
   3.9309710084504736        8.9998268144977960        7.4115505417920247     
   7.3816385086806307        6.1704972896066463        5.0868745525005252     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.916963327889338     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.22919489830254183      -0.21924989710126280        2.2942669809772078     
   4.3480622513590340E-002 -0.34568229577515130       -1.5225202436961336     
  0.20565695121429492        1.4103725442389736      -0.40303163935543390     
  -1.1546748459184619      -0.76330309765371163      -0.29338679662413919     
   3.3272174794573714E-002  -5.1967558094316690E-002  -3.6706305864010011E-002
  0.64285063400329290       -3.2435096588825534E-002  -3.8255459872510958E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1654011371461441        1.1530695986501174       -1.9142975906723778     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.45835351680569919      -0.20774347114952033       0.50680024537532709     
**************************************************
     Configuration num.    126
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.0126390318759599E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8674625443132760        6.8210843825858820        5.5590022986098839     
   5.6880719155254775        6.5524362253703270        6.5645984629788083     
   5.6868920753223975        7.8467111566577632        5.3679853853316697     
   5.0770785797485516        6.2549754201469643        5.0129865047859115     
   3.8996577268626695        9.0093413944897112        7.4226419494201474     
   7.3723640417004388        6.1641882009394422        5.0556773812893230     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.864358123354126     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1277984202000084       -1.5284404347933043      -0.90725541181639691     
  -4.6693198805093143E-002  0.20103864106318947        1.5097608934205922     
  0.26509451999684297        1.3566137000080620        7.9844678536348454E-003
  0.22559329221252475       0.31292744488427904        1.2517333492477661E-002
   2.0046629525733640E-002  -3.9020017411559679E-002  -5.1382225750125327E-002
   1.6643948957884172      -0.30264251137636183      -0.57049294098302983     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6697995903960203       0.66630010799084494        1.0438114474990330     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.81271574658979739      -0.14297915738866421      -0.93619895644910345     
**************************************************
     Configuration num.    127
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.0126390318759599E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8831369613002265        7.3819016829355357        5.7654041417366777     
   5.7650401047996880        6.8866199680695335        6.7368668054663194     
   6.6736446258119972        8.1803179244340836        5.8497150239964464     
   5.1189058053631351        7.5646599880692538        5.0760317728372577     
   4.2687697738158530        8.6856156005455869        7.3998478513404118     
   6.8732077873756880        6.0748071517929851        4.9276445949132723     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.645804071746397     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.1455570948817240      -0.12143445802723268        1.4515939897851788     
 -0.78084944663327760       0.56912697058931694      -0.46307111367297105     
  -1.2182843413867928      -0.31207084689296172        1.0024525058980407E-002
  -1.4941148088563936       0.40744567505088780      -0.40369183992040897     
 -0.50334209099077909       0.56141401011028635       0.44088500255926621     
  0.84956366905261316       -1.1050138483563818       -1.0357576956984149     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3112986411029994        1.1412531803583774       0.82879713026049762     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.4004850056410172        1.9145163062602149       -1.2460690160205263     
**************************************************
     Configuration num.    128
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.0126390318759599E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9113681887894698        7.4573563022252944        5.7236620372002003     
   5.8110986495533821        6.9979285640918194        6.7085397676535354     
   6.6013077758996657        8.1600531624285235        5.8900237705255689     
   5.0603282602187223        7.3971581232134325        4.9995035617427037     
   4.3142248963360839        8.6794226570769819        7.4401321001592500     
   6.8277622022102360        6.0640634944398606        4.9087844971423165     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.276733755974647     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5642062061674444       -4.4160034437941427      -0.32165483653816224     
 -0.94912903925424585        7.1314013047319130E-002 -0.27388817415782529     
   2.1949298487149278        3.5213430566900046      -0.31631822267030929     
  0.48514931612076240        1.2413413626291239        1.3243408284597038     
 -0.48361544185551442       0.58082437562912426       0.44878181162538455     
   1.3179800373518007      -0.99819194460172300      -0.86050744315796224     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4544959621222366        3.6596767906062211      -0.30207010524412231     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.43265789518728409        1.4343549363026009       -2.5823870364541377     
**************************************************
     Configuration num.    129
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1057057337369528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8808766239066381        7.4086025983415364        5.7474102015741044     
   5.6091361173920529        6.9870469903118071        6.6893315032107612     
   6.6328451768018644        8.3534990364040151        5.8564711318706042     
   5.0062140693721764        7.4894130189636243        5.1210144765054100     
   4.3580388379290893        8.6891200928962604        7.4727482053276999     
   6.8196121388286759        6.0398765641790675        4.8603660833129672     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.612657447635687     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2698922546328077        1.3115247712553937      -0.37138636798935765     
  0.11775779656627232      -0.22560054794963413       0.62127145595999567     
  -2.0413932093683500       -2.2335406864314495      -0.41366379957201410     
 -0.16878068524159298       0.67387640987646802      -0.16221721874814812     
 -0.63096699483228369       0.67280450408496084       0.59219404890232219     
  0.45278425167143971      -0.19735533399823374      -0.26717402721059447     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.49233496964782164       -1.2035951086444405        1.2907853330656138     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.1276117373526193       0.40631236357647865       -1.3587432701485329     
**************************************************
     Configuration num.    130
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1057057337369528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8917497760862716        7.4207098480354716        5.8038501535438138     
   5.7121266705076881        6.8966110110022205        6.7201881839302500     
   6.6052786489682740        8.1975283943690691        5.8618839114586310     
   4.9887814065268445        7.8062614549572311        5.4281232026551569     
   4.3291457772151505        8.7176841852141731        7.4711280855479725     
   6.8382786212396089        5.9992630702683343        4.8041233139454524     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.682488417030982     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1078734725700965       -1.6373659533681582       0.27406157903093720     
   7.8249200793988768E-002 -0.17927752848468523       0.42630360655035116     
   1.0219847415140169       0.76568080373933922       0.24178613820263972     
  -1.2802668373628108      -0.15646192227452460       -1.3469501038654164     
 -0.45993735606550223       0.61232065920026990       0.54804813461797419     
 -0.46608714604551632       0.59627284925200608      -0.14474194255331835     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4871788035545994        5.7411520834883746E-002   1.3486620907530613     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.32565057026462901       0.31064592222243453       0.30845869511957436     
**************************************************
     Configuration num.    131
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1057057337369528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9392821287253517        7.4414543036918426        5.8713308001970743     
   5.7256772448006243        6.8786049597850187        6.7966616785655898     
   6.7938087962936775        8.1576347481880447        5.9582755129359031     
   4.9403022908934764        7.7536514426835206        5.4725599160743847     
   4.2899242730525460        8.7583621453122227        7.4525523050966518     
   6.8440666356696704        5.9640254729547912        4.7753203877970618     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.680470168293137     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.20815445175900818      -0.87311515870898304       0.32919184309878702     
  0.42706981885289813       0.23828297887460584      -0.42161609023290608     
  -1.0199175911762499      -0.34450025193067291      -0.14661196175980840     
   1.2181372983871306      -0.21283351717398971      -0.39844683682124027     
 -0.36035379782226296       0.51133641310083733       0.45525244488200900     
 -0.47451052776002711       0.68196478424655893       0.18258568451753238     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3192748328751871       -1.1560263487304607      -0.18927612092475501     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.30234766876671626       0.28065978728356750      -0.18270999694969925     
**************************************************
     Configuration num.    132
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1057057337369528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3002196418605845        7.0170122425988248        6.1399255665642656     
   5.5374620383778597        6.5139792139016839        6.7665600680389550     
   7.3542815110919735        7.3006013294216370        6.7310816259156221     
   6.0120907844461717        7.9182420035158865        5.8205964208362699     
   3.9890580687038959        8.8476332077284354        7.2729616757106728     
   6.8597269483313035        6.1378138980588872        4.7408513954952918     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.472511190120940     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.0361947614497620       -1.7419099587162683        3.2536290035287134     
  0.45717419624084205       0.16588507812940914      -0.37106702309103634     
  -2.6831206027595078      -0.96330486897583201      -0.79576096256396434     
  -1.8274365294309822        3.4906823224203496       -1.1650593115223842     
 -0.11356093037687889        9.7460427941000127E-002  0.10223380782442633     
  0.12947380940323300       -1.0482012122190183       -1.0253943622716715     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6090853764139808        3.1087478837351554       0.66731387839479273     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.7057103329564893       -1.0188448024403918E-003 -0.93734233305245229     
**************************************************
     Configuration num.    133
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   7.1057057337369528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3856009051084373        7.0286011869027947        6.2353953559064150     
   5.6655851808267448        6.4089115217333097        6.7616228464884474     
   7.2634125549260595        7.1218678500986652        6.8425575640578469     
   5.6041139984431911        7.9230930928802366        5.9950821320479726     
   3.9621059073663143        8.9234604728025158        7.2160340433543695     
   6.8995800220320138        6.0895331175833762        4.7337284439517227     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.751502160207565     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5356309198889369       0.64503086659932851       -1.2853680482293826     
  -3.0134758112795611E-002 -0.66030852856639444       0.21806142406664658     
  0.58570350054331610       0.74999219629226421       0.28862721913733158     
   2.1530071695812678       -1.0859359438749272       0.47285755013365433     
  -6.0895398366685491E-002   5.8306985123624436E-002  -1.1693048503574950E-002
 -0.11169219787568378       0.29265002095822668       0.32126862203511158     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4345108221228604       -1.0661140644561897      -0.76655470494370104     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.8516781601133550       -3.0886785303237692E-002  -4.4861949768959242E-002
**************************************************
     Configuration num.    134
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9354755370113610E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2312896598824956        7.0268015624663027        6.0960535017333637     
   5.2045939254534375        6.6771548042679720        6.3711444337026517     
   7.1071622033401693        6.9843526314177087        6.8152583636010915     
   6.0629424731597590        8.0709997954951920        6.0646956040230062     
   4.1753127416094848        8.8206639100224056        7.3257815148412746     
   6.7565247940105895        6.1615022813628855        4.7104698894970154     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.627847811945006     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.22365231761824561      -0.55950412392779925        2.2661541537379919     
   1.0389480956924251      -0.13850406671118987       0.52021604945647004     
  -1.3060055331635230      -0.58193821186111538        3.0951058188281033E-002
 -0.19396174394820215        1.5496403002845334       -1.1765612531071896     
 -0.33541777215750923       0.32395851606901399       0.26520321535803476     
  0.57246916219997168      -0.59081000626024560       -1.9051153263472653     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5715005838367102        2.0915172695386279        2.4834484431945505     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4673578547095034       0.65462271396192573       -1.6951990524038323     
**************************************************
     Configuration num.    135
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9354755370113610E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8975578660382899        6.5597019731734969        6.2313169602357821     
   5.5161003279023095        5.6752497382975999        6.7898148495286632     
   6.1134938472625615        7.4738019056601477        6.8037177567588181     
   5.1103004300302644        6.7863845535892997        5.5211174094022084     
   4.0244122508174049        9.4924420840518060        6.7796963574677473     
   7.2049365973261565        5.8507264851726335        5.2261244526324155     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.932552665237154     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.93181203890578224       -1.0889182485287208      -0.16903102897279304     
  0.26404961694787976       0.75692853041903674       0.34113967649611771     
  0.31068055285526863      -0.27955687074786306       -5.0600539575891154E-002
 -0.28270515171147714       0.46068162276828983      -0.16075493267626331     
   6.1217634975744804E-002  -8.5924803266158173E-002   2.1232651569040011E-002
  0.57874520433471011       0.23827540720805310        1.8290367537024337E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.32950332158005197       -1.5975373083026623      -0.27672666503803578     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.19188372014880295      -0.33196190586395413       -1.9504907274208710E-002
**************************************************
     Configuration num.    136
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9354755370113610E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8967031260665284        6.5379792123056593        6.2660684103065609     
   5.4271438380308723        5.6597305017972728        6.6944838151016448     
   6.0619767099770794        7.4782386034620574        6.9094592198007492     
   5.1554778444874767        6.8916618981750508        5.5280872986541896     
   3.9963083609722481        9.4909695693315541        6.8086355621389920     
   7.2440818978445884        5.8489308098168467        5.1834509817984298     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.783531072891719     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.63397705164234641        1.0260074062868569       -1.1036560781347822     
  0.17897904682908697      -0.11035478947011335       0.80166811244311664     
  0.41071562024319086       -1.4803720966253799      -0.63828171649924337     
  0.16557768722255334       0.13018615900281089       0.10476639918600957     
   8.9704368668956008E-002 -0.12597192914173688        2.5859110195800828E-002
 -0.21116371866460359       0.56116003309026385       0.80987504188666137     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.98039719411671356       -2.2976911731633725       -1.4557710954123870     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.68407282416954762       -1.6399507717635153       0.46962154582817678     
**************************************************
     Configuration num.    137
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9354755370113610E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9214950213651578        6.5087818654456058        6.2547650592691575     
   5.3340519363055945        5.6114819347406231        6.6173512454643939     
   6.1920467569206235        7.2428215503096398        7.0092304001598666     
   5.1899727172646468        6.8871531996602107        5.5282067889659396     
   3.9652793168913192        9.5037486869155039        6.8482643095006299     
   7.2586478068900160        5.8785567526800140        5.1450839653248908     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.817436385868636     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5373603536352523       -1.6448948921711575       -1.3509427362650941     
   1.0764672508459250       0.60649471727786763       0.30440713779833140     
  0.33996669831371801        6.3177127117241272E-002  -4.5670306994109379E-002
  0.25598146475294631       0.80795396576373990       0.25260257741713871     
   5.4482602945686021E-002 -0.11473413169067079        1.6311222075792678E-002
 -0.19056704598639729       0.28171798625970546       0.82287351604724646     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4378406055442401       -1.1227420078081751       -1.4561718101401959     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.26841206687933561      -0.65443887535868783       0.66071812036522493     
**************************************************
     Configuration num.    138
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.9354755370113610E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8950322836355848        6.4709592544033487        6.1917186623289702     
   5.3193972881861882        5.6360641825327020        6.5809610327663073     
   6.3663879632372096        6.9778111403517338        7.0478982943104755     
   5.2276641267296986        6.9723412455863256        5.5171733590192087     
   3.9496723690057758        9.4899906573967687        6.8850335016309305     
   7.2609507204828621        5.9226436075784754        5.1306619163877034     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.879512168230345     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.59435641461546707      -0.58230928200239229       0.20413506940854753     
  0.14904133432654593      -0.70689316354053289        6.6464436337921096E-002
 -0.51003229562848618       0.51889190909753191      -0.52175715654169941     
 -0.24110099888365599        1.2055491595194912       0.13592411680401362     
   2.5329294853163539E-002 -0.10191251526054310       -7.5138130151942767E-003
  -1.9062464889407341E-002 -0.33255993366360059       0.12291122213719344     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.66366343745068568       0.74388700071862512       -1.1201975660882315     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.35310885301768263      -0.33603976970578503      -0.15732813190931971     
**************************************************
     Configuration num.    139
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8743897505467791E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8462715008924944        6.4982440566449391        6.1928960049302928     
   5.3470936075194420        5.5766567140611567        6.5750884136504366     
   6.4244545945757254        6.8738288710446769        7.0209861972949295     
   5.2154226077408667        7.1575610839738877        5.5367533867974501     
   3.9460426813391325        9.4808639641790169        6.8887633875270007     
   7.2728048189129240        5.9200635859297970        5.1280229872915726     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.836081128869409     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.31542658577037080       -1.1192388618786084      -0.91434218837961134     
  -3.1656943269956564E-002  0.47363105929861782      -0.56485925169044227     
 -0.36887890642982846        1.0917596322356733       0.32131883404774531     
  0.52722903018067357      -0.22777474722178609        1.1592625689011813     
   3.4737929677244067E-002 -0.11845112991012527       -3.6179193123303741E-002
 -0.47760185030896918       -9.8144283083839753E-002   3.4591459367353763E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6106037191854738      -0.90368064638520240       -1.2269087292372522     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.60040357061560612        1.1436282283403434      -0.10849634607344404     
**************************************************
     Configuration num.    140
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8743897505467791E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8157498008417070        6.5173041042308801        6.2007024217698703     
   5.3632767480460117        5.5743765423075438        6.4390918414497245     
   6.3727924074438551        6.9604636538301250        7.0181513130178645     
   5.2604554515391948        7.3265892956742400        5.7581505548712357     
   3.9529020023476620        9.4256786101743746        6.8572536139737412     
   7.2752079284614100        5.9402036257865962        5.1475725397339511     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.900897126611426     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2119386346956174      -0.15088137546947061      -0.17738858617891967     
 -0.77978722776945619      -0.21471274427925024       0.24290339280220236     
 -0.20915396322187574       -2.8758951334635581E-002  0.61458069675699989     
 -0.62898148718460312       0.19024696133767985      -0.62685263608591479     
   5.9827048293927307E-002 -0.12375585014136388       -3.9263841476088135E-002
 -0.65231723925322393       0.32946109256030720       -1.4185337187816114E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.88690012737608437      -0.67171392089020143       0.23898259551202611     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.66648085210120234      -0.55157937504599341       0.60702975771731249     
**************************************************
     Configuration num.    141
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8743897505467791E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7893904715513838        6.5335380611155696        6.3030297898904060     
   5.2354295675872589        5.5361451295829687        6.3412778928923892     
   6.2812142738932328        7.0338111725992514        7.1335023973595000     
   5.2398410834849480        7.4326744014979740        5.9042514534136474     
   3.9848584112490779        9.3472239378203898        6.8001095486534648     
   7.2792642866702710        5.9972273641261085        5.1515869360331967     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.708008469120610     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.35008036667086517      -0.32316482631892229       -1.5861437202781690     
  0.54807998985551398        1.5869550706501785       0.60307832124550709     
  0.11640031214926352      -0.88262343396443588       0.78490657554146348     
  -3.0152068132460963E-002 -0.86288647645607219      -0.46332617497829093     
   5.0830082738366186E-002  -9.3210273561568968E-002  -1.2538087697686421E-002
  -1.0362852896184358       0.57344468881257893       0.67322850414436930     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1461815623537523       -3.5569643134901874      -0.44972302015478055     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.21216813559011954      -0.96606089933983530        1.2584563646312636     
**************************************************
     Configuration num.    142
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8743897505467791E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7708859577462368        6.4715452343775919        6.4001992679267721     
   5.2391121301743606        5.5116933461281663        6.2092362340421383     
   6.1533476365271236        6.8194865802001630        7.3509661224701501     
   5.2374337904547703        7.3318473081088147        5.9974175191932488     
   3.9498278317215254        9.1515911232857423        6.6567428163350790     
   7.3348466724356687        6.2521784230666491        5.2418846719660941     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.815883728598696     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.94944504032064980      -0.32937692034408317       -2.0141665955284687     
  0.33353111989937223       0.55696082163437577       0.85355794247513783     
  0.10739642471280166      -0.69106287050280946       0.53900899279020420     
 -0.32302698492582677       0.24858209692036723      -0.31662381345289292     
  -8.8017459582397845E-002   6.9266575185734286E-002   3.5923817873550423E-002
 -0.98056238377909744       0.14416536959049134       0.90256292908471014     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6385512842711523      -0.85763651258391405       -1.0524492110960040     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.50456071960067195      -0.93668923205358767        1.1986817646102412     
**************************************************
     Configuration num.    143
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8743897505467791E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7565425623555750        6.4063196626174550        6.4100176664462758     
   5.2724838270892169        5.4105649367352200        6.3017522926322034     
   6.2197181744145178        6.7974576382969110        7.3209914643494889     
   5.2044241414127921        7.2708998170228298        6.0046778818627065     
   3.9377062355758690        9.1777514077219333        6.6060055045098851     
   7.3442984854599018        6.2688873940373275        5.2814202283073186     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.822183723417087     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4128525877697731       0.39416089151938261       -1.4795936489571835     
  0.31203842069799553       0.64876307115179843       0.60573373024836741     
 -0.34273505398607729      -0.78998076971833520       0.38285206010254047     
 -0.31847796633407982      -0.19776923143984165      -0.13903478160768143     
  -3.7401745371532166E-002   1.1709473497370285E-002   1.2083937288123882E-002
  -1.0265892468662157       -6.6542546175137995E-002  0.61738454672465026     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9653252771022769       -1.4870390180431583      -0.86017484947964684     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.60164205343085553      -0.58655759888240311       0.87818205531513960     
**************************************************
     Configuration num.    144
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6383118474421535E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7850484330746683        6.3645833566012495        6.3650749353757270     
   5.3390004305432406        5.3759394449356064        6.4860731363457882     
   6.3068782664515712        6.7965441253505912        7.2545678416071038     
   5.2141809418546767        7.3171201890083113        6.0339707133257399     
   3.9326911665678135        9.1945980373752185        6.5490056734401865     
   7.3212166939219152        6.2649753341694607        5.3370392716623343     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.775965288305088     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4924857054398981        2.6451086998882074       0.22524647334581840     
 -0.14980185930694295       0.15916981268539887       -9.3770911139277019E-002
 -0.87286575257041932      -0.85306355050000482       0.16925249017691771     
  -9.2795823647751685E-002  -1.5288680397835288        4.3114097810909295E-002
   2.1965617726783855E-002  -1.8792766901113599E-002  -1.8464535703316368E-002
 -0.39944130108474929      -0.40415974158308171      -0.32509330102201406     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3164887931121791       -2.3168501023385240       -9.4120667422943186E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.17708103147663770       0.15962401561834375      -0.31275156410942850     
**************************************************
     Configuration num.    145
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6383118474421535E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8593153139914058        6.3663156529673737        6.3690704152208992     
   5.3913270143132097        5.4273789253082780        6.6648837212946903     
   6.3240693835146802        6.7232412048092689        7.2697385416311500     
   5.2556082560445319        7.2242087108493775        5.9825225242899203     
   3.9315017777725378        9.2111069457802870        6.4869116666154598     
   7.2847280423036116        6.2608290766446233        5.3816983056450205     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.804598656583270     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.17043269424617433        1.2926450021603935       0.77169647314545808     
 -0.27405557023020666      -0.31186739031679261      -0.73573731747777837     
 -0.24417435259877177       0.48857196201330927        1.0208955650648472     
 -0.39751458687173735      -0.68768647589011600       0.31140873267280739     
  -2.6936782754685405E-003  -6.6793553532585193E-003  -2.5515282423732501E-002
   1.0900717810491014      -0.77770215841148815       -1.3425653607607235     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2651096043722725      -0.54723688896609635        1.2295685999383168     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.25706844283655228        1.2648191973268272       -1.1372617576293882     
**************************************************
     Configuration num.    146
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6383118474421535E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9051635700430678        6.3845183271981254        6.5300302876998302     
   5.3851074011081659        5.3832659257151869        6.6895124449032739     
   6.3514528883584234        6.8340510409621382        7.4506195537735325     
   5.2003723011397351        7.0943810438832511        5.9262732492811647     
   3.9278766055457894        9.1992520795202974        6.3951732122987996     
   7.2766646366844174        6.2736398846144814        5.4020653422731000     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.821387652329122     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3549134849232236       0.63777460034146949      -0.79811349938642140     
  0.84242923141045112       0.94782655171082875       -8.1006149825973178E-002
 -0.85301245505002610      -0.24669917945054154      -0.47589871208830004     
  0.68430861821658706      -0.70952142811473151        1.7837245476535506     
  -3.6459201678949574E-002  -8.2047723838693902E-003  -4.0261513053612266E-002
  0.71869878129894627      -0.62214952893402109      -0.38906450180035917     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.60637744279335626       -1.8654867404964408       -1.5148073294298914     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.83211910681250822       0.96609566839892536       -1.7200051164742312     
**************************************************
     Configuration num.    147
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6383118474421535E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9037346203764560        6.4682185030417880        6.6712697225441522     
   5.5508233208097684        5.4776064482107625        6.7128831641207185     
   6.2288527498340613        6.9189560695217542        7.5651750865916947     
   5.1300459166255115        6.9385083068977522        6.1081791352323691     
   3.9326427673195656        9.1781591770078084        6.3424001732875492     
   7.2754526319014090        6.2637392444553477        5.3709031598965291     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.695224289940597     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.71797647424813582      -0.82712429471304583       -2.7905603099745409     
 -0.17490057517984001       -1.6927850483790681       0.89236282217037277     
  0.55136332991663317       0.70155502282810156       0.93659952577599592     
 -0.54364666774234260        1.5233147929205724       -7.3038528815384710E-002
  -9.2455887804397729E-002   1.6746068273856600E-002   1.7176280933590339E-002
 -0.45970305082286950       0.27796291120538807        1.0173419498592138     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.22188506495505630        1.9719820642491996      -0.95204687394329446     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.5054252308266809E-002 -0.62131152901344910        1.3193142170439476     
**************************************************
     Configuration num.    148
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6383118474421535E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9507072433933912        6.4755671583753784        6.6679451419210443     
   5.4897233565745314        5.4642628844795311        6.8430163387524106     
   6.1145599708341400        7.0068873955651796        7.7040655216719411     
   5.0686083645578801        6.9216867436337735        6.1580397108566300     
   3.9353241671488957        9.1862249399821536        6.3415919475265481     
   7.2835780186953443        6.2466663595052978        5.3368594632960793     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.491691386579305     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4096319238372976      -0.76506740703151710       0.28910339030870108     
   1.0710011397144450       0.19995770815768166       0.19030815198713774     
  0.55643104749955974      -0.70731885161606467       -2.2414366526958212     
  0.77113076018303306       0.91449573103514925        9.9825666926573672E-002
  -9.9947492223531970E-002  -4.6400716218566208E-003   2.8403738562806570E-002
 -0.88909412140973509       0.36309582625944464        1.6352449668455862     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3028748759110846      -0.71230598172966553       -4.7120183434392127     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.43935636676243256       -1.5197280403978504        1.4825136195502522     
**************************************************
     Configuration num.    149
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7835743473716514E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9226145063563660        6.3918897225059643        6.6213122534521931     
   5.3787371112211373        5.4997662355055184        7.0456778849504671     
   6.2206450839568790        7.0046347979595325        7.3969352378049242     
   5.2326998234655289        7.1325692402057719        6.0907264185648495     
   3.9630779865376287        9.2161484116200203        6.3327448107285935     
   7.2473809239235329        6.2175472396079972        5.3808865776204025     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.704336597148313     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.0298702310576702       0.22134706784732799       -2.2926324501594904     
  0.84528326491664596       0.27546767934663302      -0.94729111714573211     
   1.3957156417420387        1.1459067384616715        1.9396725022302341     
   1.2315418894551794E-002  -1.0049468454943924       0.54889819241216142     
  -2.6395956593388932E-003  -3.0099990200529399E-002   2.8794292157845636E-003
 -0.22194796554333457      -0.60841957446107053       0.74968990302472882     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.73193381917973543      -0.71372084097027211      -0.66474265954003031     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.15539576684125095        2.1092199515402568        1.5785921934944520     
**************************************************
     Configuration num.    150
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7835743473716514E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8679232964171399        6.4106039242812454        6.5557505442505386     
   5.3320619535237306        5.5574378467553265        6.9762786293904151     
   6.2575050898059166        7.1298484045911437        7.3758009583930884     
   5.2972031285580794        7.1597524729489850        6.0864997301849471     
   4.0061365678696266        9.2259537166542316        6.3253583207215929     
   7.2166807751530460        6.1777007510344104        5.4211758567461850     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.706095915781138     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5398079736837400        1.9085776795802076        1.9538020486382268     
  0.27537066252722531      -0.31670445063881436      -0.37539320001978316     
 -0.23451979416147462       -1.5122111590924767      -0.59378164543916578     
  -1.8499879947689180       0.67668336716342015      -0.96588411381178085     
  -2.4158316499567491E-002   3.3448140931881837E-002   1.2931610425838434E-002
  0.29492819014432659      -0.78941551211730931       -2.9595696701540546E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.73398441029672168      -0.50082322547860347      -0.68443870059555134     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.7449838346925659      -0.73500161126908070       0.42265760945693026     
**************************************************
     Configuration num.    151
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7835743473716514E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8149826628269548        6.6132583766270816        6.4929819621833991     
   5.4122780488623512        5.5976343650879263        6.7377369539254994     
   6.3531246859291448        7.0480914082143622        7.4109894508756522     
   5.0210188800791054        7.2195896599348091        5.9626379191677685     
   4.0592560788407726        9.2569910453067141        6.3413645452029304     
   7.1928187086328714        6.0759447395372499        5.4633529570950943     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.795094831692499     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.26839442073681347       -1.1601218586326318        1.0427010955706564     
 -0.19347386957012219       0.76858988299378561       0.36839018052259820     
  -1.3211158614639840      -0.14299853572358640       -1.2503563724391760     
   1.0428056735838840       0.15295234054986775       0.57905797708557860     
 -0.22124914894412709       0.18293200319231340       -2.3812090789893950E-002
  0.42436878501660974       0.19792677196081260      -0.71745580480289228     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.85234560454077657      -0.77357226747056640       -1.0912797376047541     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.48240673901007219      -0.24034047078213022       -2.0382161932008920     
**************************************************
     Configuration num.    152
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7835743473716514E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8135075436138113        6.6567237673380806        6.4854102978281327     
   5.4868920095190443        5.6439804944028324        6.7203685790629608     
   6.2545704429344315        7.0169886058039479        7.3725788128561671     
   5.0427406091060680        7.3567649942822220        6.0673353720713319     
   4.0350486205820957        9.2881746155627329        6.3006672983559842     
   7.2177762266922239        6.0128389778492632        5.5010961380092560     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.729367604142904     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.14381389440800704       -1.8316980252009898      -0.57244574456494490     
  -1.1786765485612505       0.10764882615456711       0.37723583437492497     
  0.56867260754088866       0.96719943346925485        1.1056019991322099     
  0.68411953194038655      -0.10882761168194047      -0.28164488753420436     
 -0.19933493503788469       0.16173374743728453       -1.7428472212645588E-003
  0.27268210495527490       0.70494573818316097      -0.62746655835347398     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.36342849610254396      -0.31970325525112975        1.1153931086363604     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1133062605292177       0.18003704259430159      -0.26543729222285506     
**************************************************
     Configuration num.    153
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7835743473716514E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8134356497606401        6.6271192702074329        6.4623973013852529     
   5.3658893336120048        5.6690836897930019        6.7979295652459450     
   6.2211806014624393        7.0290597006343987        7.4523061436696416     
   5.2015316260192561        7.4888803778107684        6.1257372690087530     
   4.0142791761205210        9.2773579722128261        6.2704172386887507     
   7.2380737652201343        6.0145850466367810        5.5148073503163202     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.818015471510765     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1063471832732525      -0.64230242400866733        2.6226271153454164     
 -0.64503618001304142       0.56617783000829469      -0.51160380717582044     
  -1.0083471605701574E-002 -0.29723234365894480       -1.0406741533540278     
 -0.18708401508687766      -0.26673696117253087      -0.85995751006104726     
 -0.12953229307903499       0.15813291999282719        1.3833960167610005E-002
 -0.13291971744123815       0.48333185824935920      -0.22570007365408451     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9870606960509176E-003  -1.1358471072850069       -1.1765180034042595     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.21050708053827655      -0.46801619098393221       -7.8251617973256627E-003
**************************************************
     Configuration num.    154
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7487499172544721E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8692131962116640        6.7170167081614460        6.5871736667345147     
   5.0295384777816157        5.9732442549567617        6.7321909214726361     
   6.4030698967487565        7.1219543162990453        7.5431894785700280     
   5.2846058015845223        7.5200355083445345        6.1217308816464220     
   3.9980132809804219        9.1508198222545314        6.2131913840766178     
   7.2434972896015406        6.0623541397391110        5.5273757108018904     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.776760875300852     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.47637264717364719      -0.22887843696990615        1.2346996567054107     
   1.3064298738056928       -4.0048063166239017E-002  0.30892951751873776     
  -1.1751741260231767      -0.91304081872043663       -1.4402146615765001     
  0.54605633787460883       0.70392935388379885      -0.46659834737380385     
 -0.36999719637031669       0.36483575557320658       -1.0035071989218387E-002
 -0.78337426959873380       0.11195644951901722       0.37225581344100422     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6399691413082569       0.53534507418236166       -1.9221732457580192     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2467361465690776       -1.3444729994279749      -0.18953770882821167     
**************************************************
     Configuration num.    155
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7487499172544721E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8640777355382419        6.7503405140510759        6.5637662676652750     
   5.1186508600893186        5.9623959966458511        6.7405844758876272     
   6.3976648138750551        6.8990245328441784        7.5609487541009184     
   5.5233910945131530        7.7413573604041339        6.2182012999420264     
   3.9887794915751185        9.0879654775844489        6.1540555577074629     
   7.2180855383952718        6.1153242017331007        5.5806066286232427     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.851996608545733     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5851760380897373      -0.17709609394542777        2.1588649566194187     
 -0.13425856570561692       0.25228729936253369      -0.47997271745682579     
 -0.81022602576124403        3.1328599863777305E-002 -0.73614516936401442     
 -0.42026246081056229      -0.31291645611249974      -0.27125074670584010     
 -0.45311209055176382       0.57398631577003034       -3.6546919221903909E-002
  0.23397907260215750      -0.36799711481313802      -0.63656590594044593     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.50075965999713823       0.54834178386851462      -0.60749391734007874     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4827396435853468       0.28707002058092967      -0.67122469031612109     
**************************************************
     Configuration num.    156
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7487499172544721E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9034678295700598        6.7803220729631724        6.6255214788292269     
   4.9811475995318126        6.1379937587151474        6.4981946048200667     
   6.2430282979070970        6.6586206554715188        7.6980916696219195     
   5.5898671487600247        7.7636196564481308        6.3949293812448476     
   4.0319183185351726        9.0869031218933358        6.1280749377264261     
   7.1870624835757466        6.1110292328802895        5.5776005240868836     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.868923360938197     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.34016910733495931       -2.8065871520258199        1.6707500815119001     
  0.83851717462760245       0.44565700388831270        3.1330583694145438E-002
 -0.19912117109980404       0.23411306448264202      -0.89128920233165609     
  -2.9198958088050942E-002   1.5554156632153324      -0.54521102660668264     
 -0.49862739798482902       0.55883050776850274       -5.9493559253026441E-002
  0.22959592268367771        1.2398703206883062E-002 -0.20573973357380743     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.2458151666827237E-002   1.8487496385523647       -1.0779722925803974     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6760630413155140      -0.42144189765183249      -0.27663854800944454     
**************************************************
     Configuration num.    157
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7487499172544721E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9176773454602989        6.6958577942002373        6.6623408181549753     
   4.9723321174437194        6.3060969681783376        6.2453013932996813     
   6.1260741497284776        6.5909103449051614        7.7230163965093555     
   5.5325749432888598        7.8017129660585347        6.4013643596595724     
   4.0942751493500502        9.1082469884916666        6.1308662379906194     
   7.1405456902074578        6.1026759627954448        5.5873299397065752     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.584772183688752     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2553658768102771        2.1845081614180817       -1.0995113099691520     
   5.2057199835018698E-002 -0.77870574553729566       0.93379791172511439     
   2.6525016270976257E-002 -0.41994295266102483       0.14838235670963512     
   1.3400922266416093       -1.1105257122507597       0.58299797043024193     
 -0.42752860728035313       0.50815977286267833       -9.4728031385786143E-002
   1.2641914822729983      -0.38310710939946424      -0.47147221293900826     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2385688949312808       0.10926205079044070      -0.37143816560673099     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.27846043637930051       0.28372472461872511       -1.3573837966564661     
**************************************************
     Configuration num.    158
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7777304251810375E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9103075068730568        6.6603227845706892        6.6114676651074591     
   4.9977938590231661        6.3724566671363876        6.1950573459417360     
   5.9709358270211768        6.4551782855968716        7.7143729380183839     
   5.6151668205015985        7.6797675666158574        6.4979138474841029     
   4.1315611608226606        9.1505128885639326        6.1394454190896681     
   7.1110688330217018        6.0940343551619636        5.5917366699084408     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.466742458879480     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0782725337740713       0.34697520439491236        2.4597280113128193     
  -1.9299123267394924       -1.5798218636731991      -0.27861262693692157     
  0.29421569043480073      -0.31073450203630193      -0.87294753884028786     
  0.82688114764519149        1.9230005122798510       -8.2208125902819174E-002
 -0.35584985145729098       0.40875318554811779       -5.2248131273213150E-002
   2.2450584480677840      -0.78691617854263052       -1.1739073146543375     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.0650992863354274        3.1844443510165501      -0.18270791612802739     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.74424853609550257       0.64898264296256714       -1.0141469864517130     
**************************************************
     Configuration num.    159
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7777304251810375E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8169601177936627        6.6911599466048122        6.6338281748875332     
   4.8764156529166236        6.3168890135789209        6.0927572897467135     
   5.9113492542244739        6.2590664714065838        7.6108595417446692     
   5.6776138562379996        7.8062809125026043        6.3539369552043876     
   4.2099591514184738        9.1851685994303232        6.1498873593434000     
   7.0776674989260435        6.0630533498001009        5.6131845357649217     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.599424031969193     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.3315943010894520       0.64293206265932101       -2.5024143139929396     
  0.77142554104238170       0.17947128123037359        1.1727111543859574     
   1.2970486692786562E-003  0.25993948351513330       0.86232834996417784     
  0.31580463767726363      -0.94567020866122486        1.4045948712097702     
 -0.41031677014887685       0.63018357737946473      -0.13986406977947097     
   1.6541135337187569      -0.76785608328913246      -0.79646870635321265     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4276111478497073       0.34809323013366583       0.11324551480167394     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8228395824539829       0.82445052277953446       -1.8400573181071920     
**************************************************
     Configuration num.    160
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7777304251810375E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6255582832811335        6.7301521368300783        6.5545267552965338     
   4.7949425811938733        6.2224276685600257        6.1671991564922344     
   5.8179422839172448        6.3481471854774405        7.6001585165180554     
   5.6506470968923228        7.8129916827248307        6.3968286474682579     
   4.2908818613129371        9.2272806405108607        6.1574272884300871     
   7.0843626109319153        6.0075812050924409        5.6204800004552453     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.719281586365923     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7518917477712201       -1.1695688855700499        1.3537205815517364     
  -1.4552408087774937      -0.44624327748893261      -0.78964808913291107     
 -0.25532359380644198       0.67458641501091310      -0.67208532238387209     
 -0.17331520112415932       -7.6703670883536690E-002  0.11848064242128528     
 -0.66506114154104035        1.0127955918816376       -9.3618767311678369E-002
 -0.20366118605765524        2.7782264970796638E-003   8.4195945430106486E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1711036088013025        1.8127237085421992      -0.96196978422507284     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.76306023609826112       0.43611801423145719       0.72383323177485137     
**************************************************
     Configuration num.    161
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7777304251810375E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6071429122189738        6.6851088093927533        6.5059655262699785     
   4.7775518936739276        6.0180698862709239        6.0781646733094892     
   5.8786836123669746        6.4445761453782318        7.4836772774812266     
   5.5163561957220288        7.8146113388564959        6.4541942663963106     
   4.3021273757277285        9.2716419830191956        6.1751701646534602     
   7.0896163508197114        5.9904743141361951        5.6359041153187777     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.607123109530445     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2919795362601324E-002  -1.0041118636051074       -1.8876928091172154     
  0.73996788917815060        1.3679249056998475       0.78067397699684060     
  -8.2611778745724812E-002 -0.72662799670496470        2.1047470611272061     
 -0.16369164598587926      -0.91954212518925715      -0.76309558992420579     
 -0.58402483975578667        1.0300334811365448       -2.3365189513507852E-002
  0.10402124404754645       0.24930352695275157      -0.20888035448150896     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.15475462970394110       0.26410864691108482        1.2520861634268219     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0211397352399540       -1.6641363824974251      -0.25774196082022421     
**************************************************
     Configuration num.    162
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7777304251810375E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6394013905995015        6.6281827129498687        6.4702508263600711     
   4.7890366304673648        5.9905216634148308        6.0563319387391292     
   5.8975199430147471        6.4652961925757300        7.4849006739380890     
   5.4590832399027027        7.8023933899587430        6.4254095135418563     
   4.2983418916704794        9.2807946874655034        6.1804029325079455     
   7.0855139542937655        6.0027562934289485        5.6483439174721823     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.642083684150521     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.84819752355408984       0.59965758071792763      -0.85277305491134481     
  0.70885489171418237        1.0114319293273781       0.83082280454529023     
 -0.34541952994726705      -0.67169006269250020        1.4838669342115771     
  0.12994416586088040       -1.7758452950189687      -0.76222746967176547     
 -0.47952616854611108       0.90322554076909933       -2.2042912873795548E-005
  0.83579500428056930       -6.6003538383714866E-002 -0.69961977443138568     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.63182413636744394      -0.55268278302125096        1.0976866157112302     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8398023821730711       -1.1290454368379665       -1.1029307617851638     
**************************************************
     Configuration num.    163
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8287808592010349E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7530179038782698        6.4691070910624031        6.5501963516561448     
   4.9523891701080034        6.0110770798874604        5.9758610422727481     
   5.8887298232284433        5.9329907517012721        7.5093636752133710     
   5.5033990523485796        7.6170608028726097        6.7447938686634030     
   4.0349719692472599        9.3019000878344205        6.2667793284115110     
   7.2879536064946624        6.1141922221560767        5.5051674892990503     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.870441397503100     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.41476094636865984        1.1378644538302389       0.37216331202583597     
 -0.25168765680694566        3.0751809888156623E-002  -9.9001746275051233E-002
  0.12937624362971983        5.9314865021083782E-002 -0.31829850920252500     
  0.58682240962674537       -1.7123117639923315      -0.83751065829747362     
  -1.6076848733743349E-002   5.3532673723794486E-002   9.6201536548291666E-002
 -0.86409539751209663       0.43162049590166612       0.78542885602681711     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5365746386966308       -2.2971113405764227       -1.6977859025021846     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.93537877803815750      -0.70858436372090383        1.2019719788588301     
**************************************************
     Configuration num.    164
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8287808592010349E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7536653877965760        6.5352666925715415        6.4873118735395536     
   4.8855417763451934        5.9642504760701875        6.0272926416385140     
   5.9768563763112086        5.9734554643893487        7.3868886841523702     
   5.5234996078564498        7.4901454696204652        6.8640746425009649     
   4.0344724603832463        9.3161376675259362        6.3103782975180955     
   7.2835650723537393        6.0925777187570898        5.4774305329442541     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.575553674337019     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.10336195074329049       -3.8705187727174466      -0.38591646698464116     
  0.89466956196591763        1.1058648117866698        9.9912537570395074E-002
  0.13756392783485780      -0.54523718954849965       0.53989369241225105     
  -2.7015040730970292E-002   2.3065913090517158      -0.81657139411004109     
  -9.4474093800180736E-002  0.10862931714571647       0.10698695123971139     
  -1.0143959558812516       0.89536927622632156       0.45486475211333705     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3857405002820387        1.1613354074392479      -0.86966578092351732     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.35349991547057746      -0.98053383080884615       0.69876601504081226     
**************************************************
     Configuration num.    165
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8287808592010349E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7878185379597173        6.4641742850276298        6.4395779531216739     
   4.9013762443926092        5.9440227183767140        6.0849860616022973     
   5.9956913173990243        6.0066214383092262        7.3848166234406083     
   5.5771143847494606        7.6103130260045821        6.7275249693490906     
   4.0388945014954682        9.3347803100917783        6.3488113435786788     
   7.2576117015734356        6.0830025124185871        5.4642998695801568     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.771587302547687     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -5.7995912782265305E-002   1.7669079360489519        1.2160524194400468     
 -0.14686695026929886       0.21910660442011437      -0.71357931579087808     
  0.29758015278784955      -0.54283235571242372       0.97891160198952332     
  0.29042877899014763       -1.8080140700365892       -1.4695917268338079     
  -7.6544144637174689E-003   6.6074312675850386E-002  0.10984280284931389     
 -0.37549362305750211       0.29846748412323154      -0.12050143754792880     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.79313824735180538       -2.1685082536331879       0.26422718287822577     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.39566276483320034       -1.3014285109130725       0.72474246458528935     
**************************************************
     Configuration num.    166
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8287808592010349E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7879427892452897        6.4998586134261256        6.4914693690898737     
   4.9707388987857604        6.0755762574763867        5.8564279490803717     
   5.9227473931881089        6.1751078037956431        7.5500769037848237     
   5.7017248124288464        7.5748107493630981        6.1005777230483220     
   4.0909580984880751        9.3773694237570240        6.3903490464037214     
   7.1918508430335004        5.9984774559509626        5.4830592506893359     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.612020683730631     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.48427417135230588       0.97052428985882566       -2.4896820442857148     
  -2.9790408011692592E-002 -0.30709093099144286        1.3542881558112796     
 -0.35350340107014006       0.56163261934216113      -0.77340064175546652     
 -0.17083251005141437      -0.60394750410820497        1.9983303251625435     
  -2.4321820470414857E-002   4.9629997611478877E-002  -4.7247429557984208E-002
   1.0612123076693711      -0.67063159262560501       -4.4105604957258904E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0043361209650039      -0.63150547627951426       -2.7528203573288690     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.57681303779714388        1.5556266676485375       -1.2429173769962905     
**************************************************
     Configuration num.    167
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8287808592010349E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5541326487461138        6.7050832942929031        6.3429293216356335     
   4.7883618329618409        6.3900838738761827        5.6171629384663868     
   5.5357388350102967        6.1328043811248287        7.2833338619179315     
   5.8239149271345605        7.8108941949193555        6.3567698919564632     
   4.4222010976009045        9.3940970297977895        6.4555329161499353     
   6.9902746037074213        5.8548747138418324        5.4963843377102251     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.736484429899974     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4040988540640518      -0.47973034448418150      -0.87475768050035463     
 -0.32947620470145217       0.66875962844561254       0.63675610779101188     
 -0.43107213931482613       0.58090093219481109        3.7974979617082218E-002
 -0.79816586084979990       -1.2551819264052244       0.20043539489899775     
 -0.35207059154089032       0.66767703429802072        8.2853496770969828E-002
  0.50579219382150498      -0.18411121715086595       -8.4386556488814518E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.63522813794225153      -0.35064052116849292      -0.84533033937597613     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.7140666252863213       0.24687865368341522      -0.58690024496109583     
**************************************************
     Configuration num.    168
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6329499234268674E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5920586844181921        6.4146808467359993        6.2929180496124744     
   4.7935513172868074        5.7716250525475568        5.9060173018541526     
   5.6084151496843280        6.0880423459555253        7.3227484466111976     
   5.5826468096757438        7.4900803215012370        6.0327845996230067     
   4.3578346188464412        9.5350535455647005        6.5442989275517878     
   7.0602281881900950        5.9233267873979738        5.4240781679375782     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.828380644599289     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.16590656590274391      -0.25358912968427705      -0.84017683614289262     
 -0.33383390405685276       0.54402993227639562      -0.58358293177044906     
  0.62157486176532251       0.56292714532021337       0.76154692380593159     
  -1.0747948920198152      -0.16303537991293762       0.86688979339003158     
  -1.1756955454644131E-002   7.2843237351980394E-002  -1.3677614407044668E-002
  0.96358478089426314      -0.75927890555419819      -0.19194377624270598     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1413266913525941      -0.54311174888102576       0.34189887165348298     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4842090227934859       0.99905365561726334       0.19113431835399544     
**************************************************
     Configuration num.    169
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6329499234268674E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5801999429187843        6.5316363905962023        6.3186140577679808     
   4.8304996966944493        5.7721727919723245        5.9620124887227144     
   5.8015273784947095        6.3510521394143815        7.4005289870107163     
   5.3080399897412347        7.6044846946179447        6.3194974544364584     
   4.3184490673958607        9.5047353413541824        6.5553007908927130     
   7.1086572674384767        5.8713783100496286        5.3569290368821569     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.800652409191116     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.44736967935012573       -2.0653964363784523       0.60583306062520026     
  0.25907240300016698        1.0356688176992082       0.36636927160330579     
   9.1534259598035683E-002 -0.33782777871948727      -0.60503020675191777     
  0.13730947552033929       0.35102963768496859       -1.1123809163308267     
  -8.2341454441469730E-002  0.11774711387903873        8.2071498197825027E-002
 -0.85350113655001925       0.89741123424091984       0.66243590729102964     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7526517465585028      -0.94833682020455112       -1.8178586448359784     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.28910244135764757       -1.4538167398189539       0.76234680546900802     
**************************************************
     Configuration num.    170
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6329499234268674E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5495416934409798        6.5696749281329989        6.3651284460407664     
   4.8647229607399458        5.8584119235391707        5.9819087626477216     
   5.9216450703701433        6.4571174619506211        7.3631156791199226     
   5.1464836207760110        7.6695085981890569        6.3178488924570413     
   4.3340861087105615        9.5087160796881012        6.5311119137498865     
   7.1042209111618559        5.8254774435163670        5.3675218309357211     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.550905299202896     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1933278248858565       0.89798718639724417      -0.71195680944935447     
  -1.0654558520325108      -0.81566660060080542       0.19419388189664891     
  -4.1104709250268490E-002 -0.63311277083289408       0.81998418491126179     
   1.0122262297186968      -0.72950233976643497      -0.90107122014628083     
 -0.17014428615993724       0.18549138857811831        9.2535734841623141E-002
 -0.92854353798916356        1.0956220434973019       0.50628950433257480     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3143988900255847      -0.76954211093572145      -0.26873613770860583     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.9570746689328768       -1.2488592169680208        1.1365898255581874     
**************************************************
     Configuration num.    171
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8410461258691727E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6920042897059027        6.6464635175837614        6.5602447917054763     
   4.7166374474807160        5.9944830086598886        6.4361513523109561     
   5.9894979365046321        6.4883305594858971        7.5387114751335744     
   5.6894792944980273        7.6176343828829252        5.9948536965780930     
   4.5065063180024891        9.7905910248437245        6.1675603526794633     
   6.8313248507394997        5.5045663768112965        5.6303508808795781     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.683200971041970     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.0844832502027808       -2.1928630932228370       -3.4588570392125861     
   1.2852039117345426        1.8044191407137686       0.18220353518448076     
  0.77728205259745442       0.65991298007601540        2.1866733984121538     
 -0.25698273908332819      -0.36988330283586746        1.1052117632995810     
   2.7058190781412278E-002  -3.8965540479640737E-002  -2.2621967829732210E-002
  0.25339782427506319       0.13845213804258741        4.9646629963163783E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1741760688123715       -2.0985434657121806       0.83151684116238878     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2331235907020186       0.46861160555322201       0.46458184790446594     
**************************************************
     Configuration num.    172
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8410461258691727E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5154834652590692        6.5525212399852881        6.4500655316485682     
   4.7972783409429969        5.6906041874081197        6.3301573814989336     
   5.7173588673360634        6.7547439761979566        7.5581491631275632     
   5.2579231904409118        7.6114807777891587        5.9778258592806317     
   4.4944857345801177        9.7834908464874566        6.2821051321850376     
   6.9734446850428826        5.5484142700229828        5.5648202771279696     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.602400277630299     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -5.0448222217845701E-002 -0.13098054331264075      -0.11856081651692157     
   7.4949704877071616E-002   1.3142820373722641       0.20913026698351586     
  0.29324211811218875      -0.54505749016598926       -1.3365687938050022     
  0.45410681727272079       -1.7286508308811213       0.37961388161032922     
   6.0241465306880623E-003 -0.14264164272242374       -1.8315129985460366E-002
 -0.77827704430861666        1.2312184667797996       0.88340424452584176     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6130251816356835       -4.7146401548106622       -2.7993296760848829     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2560945181957412      -0.94184896418246866       0.74297430248482799     
**************************************************
     Configuration num.    173
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8410461258691727E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5528274665303421        6.5290850714389919        6.4269719848607192     
   4.8786243881765268        5.6443945440625196        6.3384569478754234     
   5.8265340838191229        6.6533996165156584        7.5109058650961211     
   5.3704894523754696        7.4818870893163441        6.0869366855959806     
   4.4474005098620255        9.7837364324738374        6.2621847758067846     
   6.9736822832731225        5.5873778507195988        5.5846477841515059     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.664866176529131     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4025576168784233       -4.3477990199579581        2.0763469385859290     
 -0.51708607983984678        1.3962448092466502        5.9784081856656027E-002
   5.4707967889381322E-002 -0.31114972547269193      -0.74247885636650923     
 -0.76605122419098981        2.3913048406610642       -1.7474338763777153     
   1.5768762251085824E-002  -9.3883746468950674E-002   2.1596450187722934E-002
 -0.19220685903121809       0.96441884722281257       0.33116826456864418     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.27325910799335618      -0.59107959489039474       -1.0039085451193988     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   4.2138837570651400E-002  -1.9106503351478477       0.49066892742930018     
**************************************************
     Configuration num.    174
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8410461258691727E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5996038474058709        6.3810386130781183        6.4193416730299342     
   4.7219097744514045        5.7330142006009233        6.3372799969212714     
   5.9353885181680504        6.4982697007264223        7.4239826850182560     
   5.3322343430961761        7.4515225273301011        5.9362542496826682     
   4.4856172891900679        9.8038573142296705        6.2872041150259124     
   6.9293342892079881        5.6283430631256337        5.5891542380438466     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.881051195911137     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3643288535534570        2.3367647442283461       -1.4642364311764877     
  -6.2747348089233282E-002  -5.8236800876772521E-002  0.14726058458004504     
  -8.5975835575225465E-002  0.30060645175231404        1.0432726474503728     
  0.52012820010978822       -1.8486583313330733        1.1400776677517825     
   1.8206953974066117E-002 -0.12209380385384078       -3.9153442345576273E-002
  0.97354898668989631      -0.60886267752372025      -0.82919472337497080     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.60974489660429343       -2.0870106374177455       0.55734013977322738     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9743909894998409E-002   1.5862791096163735       -1.0564179490814718     
**************************************************
     Configuration num.    175
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.8410461258691727E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5453350651026163        6.3937467040210603        6.3682264598937497     
   4.5873322007399846        5.8907883248560760        6.3547254595471321     
   5.9795391699133109        6.4362287339447812        7.4190047292931443     
   5.3537182143483708        7.2400002422245917        5.8971213920806935     
   4.5327906027832494        9.7904297289279878        6.2931958741620981     
   6.9083250392229694        5.6505292761939998        5.6034881559387646     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.475195241541769     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0746524994793583       -3.0233879587223385        3.8994640835915746     
 -0.12535828623914469       -1.1463704737209932       -2.7770671870156655E-002
  -1.3466354637434184       0.75339002580477610      -0.89395775248662124     
 -0.48373161633311607        4.7285218796818427       -1.6069412874864473     
  -2.5957975848246079E-002  -6.3211576969732189E-002  -1.7980252063379241E-002
  0.90920066306169389       -1.2495517831538525       -1.3539960998206040     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.34567066341102926        4.5011361640556098       0.25435103719248969     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0299839890212394      -0.41109677634416114       -1.7354956800621357     
**************************************************
     Configuration num.    176
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7465713829247917E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5463106334816565        6.4272277922522978        6.3673383567328967     
   4.4449177000116400        6.0346406557773768        6.4416250332115501     
   5.7989930986001346        6.6611859919623404        7.4040468173934979     
   5.3573733782858461        7.5013943353252479        5.8174173229069801     
   4.5707594517419734        9.7581661404930724        6.3068474435133037     
   6.9060514510493851        5.6003469198878930        5.5910132609649263     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.591184627428447     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4977996938468245        3.0533002108239629      -0.59280319951536242     
   2.0077100379886073      -0.48068767322792139      -0.68420447580934263     
  0.34784931522891827        5.1647740931413541E-002   4.2271382876336278E-002
  0.57072350348983591       -2.0091393783370881        1.3034918325072198     
  -1.7323518538971731E-002  -6.5259708597769112E-002  -4.0145454805427992E-002
 -0.41097086269764049      -0.54888217579597343       -3.0861061439789207E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.0226123171966366       -1.9068514881319751       -1.1649914377753328     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.23177037837842526        1.4284927119680497       0.47909661617917143     
**************************************************
     Configuration num.    177
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7465713829247917E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4855961290745734        6.6030129013600041        6.3096912205298059     
   4.5702844988272568        6.0206128344777872        6.5283141753781981     
   5.6456076418851495        6.8922293678862161        7.3514015728820876     
   5.4324620042428045        7.5407892240962475        5.9202479040494351     
   4.6018979632848032        9.7750847840317832        6.3084466953874490     
   6.8901715083216919        5.4949450247463894        5.5935011621594795     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.469790970661958     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.47778928963587219       -3.4336817348865196        2.4625707595080408     
   9.0658293384093563E-002  -9.2001350346472277E-002  -1.3701544492409712     
   1.3121200407976863      -0.26839457363779773       0.48739389488782747     
 -0.43039476464752013        2.7177283366514740       -2.4345832800282077     
  -2.7164323171401696E-002  -2.7602501284343946E-002   3.9436746707253584E-002
  -1.4236964939230470        1.1015592690749234       0.81503260717266901     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1898454534626688       0.76620748105326353       -3.6234954335659264E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3792532984005046       -1.9829630013419626        2.3749404868798458     
**************************************************
     Configuration num.    178
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7465713829247917E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4562575914665103        6.6092560187147091        6.3738231788587116     
   4.6572025798721119        5.8576112325903056        6.3854385147925008     
   5.6584627086031141        6.9325272191593914        7.4052753535904285     
   5.1369316431483254        7.7007825713758526        5.9024189474933948     
   4.7116493267073585        9.7363733596801243        6.2848012826277646     
   6.8124460391404460        5.5273341500201569        5.6074727643599749     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.639135875285092     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.68579843057646206        1.0277640371514492      -0.76353240891545082     
 -0.29070828718196318       0.35517080284254476        1.6450968319472172E-005
  0.67792880484540685      -0.50491550026363530        1.6818096880870461E-002
  0.92528028709571675       -2.0826793614977417       0.23573251824402852     
 -0.10170721681945247        8.0926349503238695E-002  -2.3903480594681642E-002
 -0.52351095358010569        1.1266607147644576       0.53362375724290789     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0017186119892150       -3.6832996836053904      -0.99813254490841696     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6291018833582824      -0.37827191990918546       0.62552716807876141     
**************************************************
     Configuration num.    179
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7465713829247917E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3785240243894075        6.4448593019295553        6.2467289495247611     
   4.4480140473453300        5.9006392068327491        6.1785567667460386     
   5.5521065503764362        6.7671564906227495        7.2094878590329738     
   5.4178914436842955        7.0891826625710079        5.4360235533664376     
   4.7400649220198465        9.7957030882940028        6.2476431273947455     
   6.8142675869479472        5.6065072171556531        5.7857413287390074     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.448551001802119     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.68877128384955288       -1.1261479908406016       -1.0894620663179324     
 -0.27056834112376382      -0.86151432566403474        1.3531661528990062E-002
   5.3980022966735222E-002   1.5458578170273003        1.9601062745927760     
 -0.85872192625116583        2.6311627263462869      -0.62984691518692937     
  -4.1327319749021013E-002   7.4320283506139374E-003   1.8464156418554973E-003
   1.8066154886753625       -2.1940301253878385      -0.25770967683033369     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.1383476895995313        3.8006659194546439        1.7473078203450898     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8358480383217737       0.40049908471071105       -6.4776557770421989E-002
**************************************************
     Configuration num.    180
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7465713829247917E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3803974404329553        6.3987431659092122        6.2387904583928453     
   4.5193299922937404        5.7119780495022257        6.1613471747123931     
   5.4133635863954810        6.8990000862595844        7.2170530727341955     
   5.3652686534224268        7.0738162396495801        5.2833459122640800     
   4.7616011614162499        9.8033306684734658        6.2716775572983119     
   6.8056413308273918        5.6226473533387216        5.7827104047369042     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.463639040620588     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9573427150880003        1.8528156651570467       -2.2559637171262050     
  0.14154332737306752        2.8289797171120425E-002  0.20665336786460178     
   9.9458686876862337E-002  0.25926234971385409      -0.45544789973414929     
  -1.1284922288496693       -2.0826449892048078E-002   2.4300764680673947     
  -3.0510218745884141E-002   2.3658911336573510E-002   1.1120538600873957E-002
   2.8738879800393136       -2.1419707192915181        6.2326092605294953E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.2494092003845116        1.3442757778178009       -3.1202776369071081     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.8513557631173509        1.1523890880523717      -0.13850883370621564     
**************************************************
     Configuration num.    181
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7839648991148763E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2313158579411283        6.4766217404658351        6.1717269493130731     
   4.6076622324307479        5.5441227150469663        6.1812739923052771     
   5.2983678858731302        7.0731222978022243        7.1055093693686358     
   5.0853349052029770        7.1870038630449447        5.4388745908458036     
   4.7942264411532376        9.7931057953529681        6.2966625444161419     
   6.8581148501124485        5.5930105064092812        5.7732347577685950     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.763139062709342     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0904086054063700       -2.6929694600255671        1.7215005743403411     
 -0.17888508462406838        1.2658217249762851       0.12909250124719179     
  0.14807340892121418      -0.64612933852022147      -0.14280702114415944     
 -0.56715356627833957        1.3970690412518438       -2.0431606693242381     
  -4.9471546052356846E-002  -3.5403376939258588E-002   1.4185337754532719E-002
 -0.44315364548900976       0.71263401379102997       0.31917768027331961     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.95349910044159780       -1.5765534771479712       0.58905297699096759     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.15220483596144721       -1.7507542962976779       0.66919635141249145     
**************************************************
     Configuration num.    182
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7839648991148763E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2250023549023812        6.4932824979059829        6.1429485203065326     
   4.6366669116528234        5.5830616614421888        6.2421543776086059     
   5.2251338483414402        7.1425476665259344        6.9948121944889019     
   4.7051002669266531        7.3674472768062493        5.4462827901911401     
   4.8121207489937543        9.7728758269344667        6.3170680860042454     
   6.8902498055597263        5.5750111776418017        5.7673637286821666     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.258298939723087     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.84727878421870850       0.56495610769432336       -1.9951421057490315     
 -0.53819764323790165       0.18922059632169155       0.14325999603367975     
  0.89746847636006233       -1.5061966239752500E-002   1.2723969544133973     
   1.8436248149234884       -2.1522152460651123       0.47475695902146725     
 -0.12544177264586942       -4.4093638265133246E-002  -1.1089627387730824E-002
  -1.2297321221952018        1.4560456911855435       0.11499136198823361     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9355134375621286       -3.5987161422507903       0.12747818256020024     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.2053107862746728       0.86703010475833986      -0.11801784970134985     
**************************************************
     Configuration num.    183
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7839648991148763E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2737778125707528        6.4627774412039036        6.1655721197115456     
   4.4505565690070963        5.7284416983662974        6.2894953761820709     
   5.5152412958359065        6.9919832941629778        7.0431752363019511     
   5.0894204309347248        7.1975337229596636        5.1617287503254463     
   4.7714892991967304        9.7809308023233470        6.3203187407253631     
   6.8592621794680513        5.5970464003515419        5.7777555850451066     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.581003760511294     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.13989425581571135       0.55376127672265452       -4.0870355522746626     
  0.45373670708343905       0.18654572922648768       -8.7422883693183018E-002
  -9.9584178936167791E-002   1.1299300129915064       0.95955284964621845     
  0.29458015577833707       -1.6899805825105467        3.1445741710080419     
  -5.3198965062520726E-002   1.5826693508034971E-002  -2.5535003518275933E-003
 -0.45698236642315243      -0.19523624022524222        7.2890225792133584E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5404930221912934      -0.84945694351331591       -2.7084367222911432     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.11873707231470849        2.5657588701827585      -0.14365256527851555     
**************************************************
     Configuration num.    184
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7839648991148763E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4070941030102491        6.6148783954872687        6.2518249936271140     
   4.6303151269024738        5.8707450942006441        6.2767994620282677     
   5.6813484821728002        7.2054470060874669        7.1139801884576732     
   5.0011149767157246        7.4363966430239161        5.4792358327796711     
   4.8340379524229276        9.9290787473886422        6.3119943577135658     
   6.7224884077886395        5.3302793067462133        5.7144796027725988     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.509750260475816     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.70521385415769910       0.50421366290255254       -2.6832848867932020     
 -0.81841400750961601        1.5902167454280639E-002   1.0146485077363419     
  0.29705594912837274      -0.28465818195548831       0.56683571977637737     
   1.6151809161286916       -1.5059944593241705       0.96610564857657366     
  -6.6280169392353094E-002  -8.8667111068825188E-002   3.3926366082457390E-004
 -0.32052572886931741        1.3612415753969591       0.13663850085775792     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.79906000055351512       -3.4821945175327369      -0.81806314623581933     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.1910626214970104       0.15962170089575020      -0.76882298813410099     
**************************************************
     Configuration num.    185
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7839648991148763E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1991729599565151        6.6997794190528284        6.1355511650912353     
   4.3840234582286914        6.1593574417847599        6.3888847660070365     
   5.6241380664423861        7.0098246853675068        7.0835505990321908     
   5.3702678525789649        7.3878668187291581        5.4261495274922433     
   5.0782694131699531        9.9725874633214282        6.3154207627998273     
   6.5412907575338748        5.2529910233769996        5.7472218524540821     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.364602741603221     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.1703456389427771       -2.2551638360368038        2.7833241816866368     
  -3.1972363665058623       -1.4953072558648555      -0.20114470990325034     
  0.20330898889119178       0.58111465323065570       0.13197666041744160     
 -0.10834660660499749        2.4401518423758475       -2.7802413482533277     
  -6.0791021362121174E-002 -0.12544657447465779       -3.9585277978280440E-003
  -1.0073250958390505       0.85374215765489592        7.1808176749709962E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.66926578046453300       0.69094838104014555        1.2861747432002073     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.8146070740359606       -1.7593396856949228      -0.14402976832106834     
**************************************************
     Configuration num.    186
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7526383488037509E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1819034902373211        6.5673916345419512        6.2631072053860519     
   4.4357859085441103        5.8756780650690219        6.5328192882664151     
   5.5636704461220683        7.2973272327348928        7.1010239562572695     
   5.1665460221187267        7.2594500917907032        5.3464459578506229     
   5.2776230719109893        10.056116009585473        6.3039112713939813     
   6.3717549309271586        5.2283710012126665        5.7062987474829683     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.556609786928220     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7638708345958807        2.1851733123781059      -0.72665863708610301     
  -1.8361387531718869        4.2250613756170029E-002  0.26838204848287062     
 -0.37368248037212615       -1.5979362184038612       -1.2158317069355247     
 -0.85350573232432014       -1.0089141604514642        1.2493615878811080     
  -1.9929517948761043E-002 -0.12767533669838696        2.3428795001508448E-002
  0.31786484572629581       0.50651674141790914       0.40095009524123926     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.97311744188097704       -3.0144307863341857       -2.6586646570355308     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5673076525174331E-002 -0.63861958050780221      -0.18488750094807299     
**************************************************
     Configuration num.    187
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7526383488037509E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0965851857363633        7.1541009584474660        6.4995063935682360     
   5.0267829727340905        6.9287631143106987        6.6075958754624988     
   6.6838022478281003        6.9592495418787337        7.3981280124910995     
   6.4184827122875472        7.7820351747475511        5.7480506104041051     
   4.5427468108945632        9.6315016058611640        6.1715144808125864     
   6.4624401765457788        5.3145842694957324        5.6713378579473135     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.559389680345475     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1079041391404185       -3.8929860790168860       0.96521804414101187     
  0.39413944085903507       0.89126822577660236        8.1450585812476890E-003
   1.0289752263668676E-002  0.74781653446146801        7.7735037166375420E-002
  0.53291766320996392        1.5443248347299732       -1.3234444069044364     
   9.9221756898647435E-003  0.10498481966575900       0.10191830060805523     
  0.15884191037818873       0.60405652609651250       0.16923125528587596     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.70840144406155603      -0.45005134403839481       0.25592793525039198     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   4.1007699137507965E-002 -0.85693312658151022      -0.43914938580408236     
**************************************************
     Configuration num.    188
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7526383488037509E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0501491987346521        7.0922819428115185        6.4100010327072585     
   4.8970923953550276        7.1520858506626368        6.7635669011101029     
   6.7006022371415970        7.1542065446032383        7.3672019304002170     
   6.4341606857915075        7.8915427821176483        5.6766136847928506     
   4.5423179850344200        9.5259649401345836        6.2343914474667104     
   6.4895689459402934        5.3815165522650812        5.6327357571019911     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.520876885538431     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -9.3048600464603393E-002  0.20350826300732019        1.2243654367450685     
   2.6353615037128026      -0.10824511863654229       -1.4316921098237712     
 -0.84583601864646796      -0.16845582213731158       -1.3072185152528970     
  -1.1393738391827464       -1.2522535366867631       0.95049540727185244     
 -0.26530064782273133       0.52447535194204109        9.5308753113654845E-002
 -0.29149863025113976       0.80070876532888269       0.47182449223923939     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.9412140868383245       -1.2755543667277873       -3.1325421989121156     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.82297898061622332       -8.4217122248380037E-003   1.1407778684625969     
**************************************************
     Configuration num.    189
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7526383488037509E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1231758165245775        7.0402085980276006        5.8979008201954430     
   5.1401620900596887        7.4274347425878933        6.4607031871017204     
   7.0167272521005408        7.1885830483165378        6.4818606502949745     
   6.4466200219279202        7.6712203906996352        5.1082334296272895     
   4.7401809477607761        9.4862858397004555        6.9761083866376756     
   6.2024684323867865        5.4287504697053244        5.2626989761573020     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.591653191425618     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.93689973229076029        1.1977692072597346        1.4301941169948904     
   1.8843325408592428      -0.73422615169259664       -1.2407885075921770     
  0.24321548709490254      -0.25171165647151333        1.3770640584618334     
 -0.72434445607684372        1.0681533398240992       -1.3443918997220354     
 -0.22936335054054233       0.39536728040745162       0.21790327785056934     
 -0.23676980459015493       -1.6725045664054428      -0.44059483079016393     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9789087313709455        3.4236250223790790        1.0348352853436997     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.15012696739363021        8.7331643378853518E-002   1.5453989203500624     
**************************************************
     Configuration num.    190
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7526383488037509E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3122076057191325        6.9889477911874573        6.2242423705085557     
   5.4584545189217692        7.2367120345902736        7.0819757054563137     
   7.3572525570817167        7.1762922633567507        6.6016592881896567     
   5.9114118495615378        7.7883828804875410        5.5064805344016809     
   4.6327612509799110        9.5884420807211512        6.6691797485996220     
   6.2319003970737956        5.3536468776462129        5.3305234084890580     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.574000451745860     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.0548185932674410        1.5808881684025493       0.70443206105726541     
   2.0042660429766372       -1.2782095299559098       -1.7047454042738615     
 -0.90197417549659831      -0.26591851322320392      -0.43086816054821581     
   1.0121760800668365      -0.91830692387130308       0.57249870199932340     
 -0.10032709015124382       0.16287748517335840        8.6900692987817815E-002
   4.2649818596160412E-002  0.71882347586777007       0.77250276490481595     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1674016420348741       -1.9774258920129655       -2.9868979307888557     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.78011444516274819       -1.0308424158389327       0.53299175969422685     
**************************************************
     Configuration num.    191
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7699469623140981E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4403460886899140        7.1546370207371348        6.0724526502263734     
   5.8055391323169854        7.2091859628225414        7.0730905525646257     
   7.5520621918380355        7.1237606460671365        6.2468862763005868     
   5.9223299691776639        7.9451590901132061        5.4169433607878590     
   4.5761873126723662        9.4189846187533970        6.6826302383216127     
   6.1826914456390742        5.4583152549555658        5.4196291956375102     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.681648642050735     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1518537125192547      -0.21786842233617079        1.4386022292056391     
   1.4558185168205613       -2.4534340653267303E-002  -1.8480861609749153     
 -0.93642511478451707       0.80177796540852653      -0.16716585845074006     
   1.0983319084198584      -0.98696244304156344       0.69701595124351168     
 -0.30518432343371205       0.43962707210204111       0.10153291725434434     
 -0.16227771730536028       -1.3823928165049499E-002 -0.22202706397031294     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2769592379916355       -9.0923824145008783E-002  -2.4674540615710252     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.55192988922202280       0.95223055670030132       0.45972903092723999     
**************************************************
     Configuration num.    192
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7699469623140981E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5078920467150239        7.0933430277349521        6.0500370541860056     
   6.1459677254050202        7.1761010494672686        7.2293210553825027     
   7.6372873903644827        7.4343631535182704        6.0601431509744588     
   5.9751984004345280        7.8736614909898881        5.5228027742166166     
   4.4103780273848621        9.3773068157806332        6.7196822207942883     
   6.2716275920293043        5.4975143444219716        5.3816702817446105     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.602692297374915     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7379259632156663        1.5469650886270976        3.5248819865682384     
  0.66951768869293948      -0.35641507265489170       -3.0075699853378808     
  -1.6751603885785997      -0.97646997428536175      -0.13415150836172923     
 -0.63328820106833827        8.9889390058960322E-002 -0.20715518650423276     
 -0.14594492166268203       0.23601500669324604        6.1250698378187821E-002
   4.6572700195293887E-002 -0.54078593260518515      -0.23749557292447865     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8794676090471965       0.69262140344907286       -3.4950392920201403     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2709714989436067        4.0759429097338297E-002  0.90228846509586935     
**************************************************
     Configuration num.    193
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7699469623140981E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5617441241528676        7.1609934636726873        6.1774113312994672     
   6.3107574747252393        6.9440346412597371        7.2127051345205464     
   7.6447185768499590        7.4261633209171771        5.9814463149340069     
   5.7473029688224209        7.9133648913766113        6.0801578860251562     
   4.3163587090309132        9.1917404535284213        6.7483351052154905     
   6.3536840491619069        5.6827902369153289        5.2577345760661256     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.750694116443587     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0110135757082364       0.32352719475586722       0.43735339828051517     
  0.73860336336779653      -0.45729652710673641       0.62724693910350604     
  -1.1743065181458729       0.33782018279650800       0.55895570247312676     
  0.27095832447253365       0.31728118464608279       -1.1141446737131460     
 -0.41584544700170645       0.38248057537034857       0.16288507365400212     
 -0.43192969552265209      -0.90616361755254371      -0.67236427670615928     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0999479631763633        1.9835988365899113       0.74491799018007920     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.39750171992880684       0.44941150523468676        1.0405568076907632     
**************************************************
     Configuration num.    194
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7699469623140981E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5618469284414438        7.2092899707389071        6.1462820379916900     
   6.3369446836403123        6.8497126916926261        7.1758853233826301     
   7.5237879395766303        7.5859154957301111        5.7214113928874308     
   5.7705233760602441        8.0039124337157954        6.1425003568786662     
   4.2954471969952888        9.1942166006188462        6.7592151600398944     
   6.3826303481597515        5.6463536233844769        5.2838596545518417     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.531616895694693     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.10667178800933759      -0.22067413109671416       0.44664018061511968     
   1.5080493792271190       0.55880918849145489        2.3907937795072724E-002
 -0.25642576016685559       -8.7672940487233536E-002   1.3139043666648111     
 -0.36743144364764319      -0.38132514294474329       -1.1881342056419664     
 -0.42820647732125761       0.45261789442804201       0.19950892553385394     
 -0.56384473510083366      -0.32061587558380866      -0.79806290948398129     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.22205938144407544       0.43712193332339500      -0.24632947035885325     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.78805104513271940        1.0760563876995299        1.7350504668752742     
**************************************************
     Configuration num.    195
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.7699469623140981E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4267034421411973        7.2119927281047200        6.0615134583961838     
   6.3793406808566449        6.9801013923574065        7.2045125646251273     
   7.3984936837815987        7.7461021092311606        6.0610127953175121     
   5.3929834225690243        7.4736125241145377        5.7615135546589551     
   4.2743504784206516        9.2692312529858913        6.8703157839513826     
   6.5014610035586893        5.5974703439060747        5.2029169310637373     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.531314229154987     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.42551543827546368       -1.6586959035256235        2.6082146535434516     
 -0.35080158067145029        6.2411866046376885E-002  -1.6548132990877640     
 -0.75109390678698573       0.31089778530173667       -1.1845982331597122     
   1.0005736871196502        1.4273626552505272       0.19054033148375696     
 -0.20632227054199703       0.20049843528308459       0.10453079478705248     
  0.73434633976601127      -0.34228043815649345       -6.3883318270950396E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6623809237712135        1.0218244252741306       -2.1627134334712221     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5005967137292149        8.3745908059938659E-002  -1.3736628955481807     
**************************************************
     Configuration num.    196
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6011227208961590E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6893993848458262        7.1104537823901124        6.1375076035251768     
   6.3030977776792803        6.9057827794190674        7.2456472163191181     
   7.7243427202485018        7.1641263196023752        6.3295348070790816     
   5.9591854308336458        7.9230732764438985        5.8700948606796937     
   4.1735601214472622        9.3059466464913267        6.8515973346238139     
   6.4212096000592886        5.6184910764810621        5.1487017060887244     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.666861208477940     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.9234300933679789       -1.0372149126983543        2.7798793242534963     
  0.34798633731151296       -4.0705783310784047E-002  -1.9823501842624949     
   1.5413440185611837       0.90069775613961878      -0.57530775127631228     
  0.97113443411850675       -3.8146850676879535E-002 -0.27270960613049788     
   4.9658770373788262E-002  -3.3478300696102815E-003  -3.8291303407749631E-002
   1.2511678562547500E-002  0.21908693597934001        8.8191791574850076E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.6894260157198907E-002 -0.65918884221705798       -2.6595582039743650     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.85443922508180947       -8.4036726044883381E-002  0.42046139144116462     
**************************************************
     Configuration num.    197
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6011227208961590E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7478846411026954        7.1203284602973387        6.2118175258458752     
   6.3153161606379440        6.8181113144595065        7.0673071771706883     
   7.8918620323574187        7.0914040994778054        6.4177136578270462     
   6.1041053454675147        7.8843269920817391        5.7699803972149670     
   4.1579618516021783        9.3068377039246268        6.8455337081111232     
   6.3803642162867078        5.6367226637165171        5.1510580618617556     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.562397046998512     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2876734780122154       -1.0460632178840170       -2.5152450650792559     
  -1.7099634859747261      -0.74299071958333429        3.3700346348168391     
  -1.7099400906576137       0.81863117461244050      -0.91587408114487490     
  0.69466625424433637       0.82447045510976180        9.0696411427516846E-002
   6.7401398084494551E-002  -2.7499601905431281E-002  -3.4898013259448357E-002
  0.36936673792361097       0.17427945514362039        7.4034631247324465E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3594669457050581        8.5180481550778439E-002   1.8931948867845096     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.67377795516391259      -0.95690906383397412       -2.2598291375233286     
**************************************************
     Configuration num.    198
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6011227208961590E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6876012133364746        7.1084790105903606        6.2179114658484682     
   6.1741462022092168        6.8037998427425315        7.1754111197580412     
   7.7775323481922696        7.2432914540836384        6.3264142754198742     
   6.4682949439574324        8.0899746838514144        5.7227318883229517     
   4.1837014888083921        9.2369341591874772        6.8319776733143680     
   6.3627848032453276        5.6719162950978541        5.1659844033032591     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.718154840553776     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.49431699120958872       0.13266112719165496       0.23919867843594242     
  0.40512034276708003        1.1951799446839779      -0.90808227997753754     
  0.12888699681879184      -0.80185896899480780       0.37975087429069110     
  -1.2050064307248587      -0.91402723645808981       0.51292459402537305     
  -3.3313059317585450E-002  0.10342324476235813        3.9873490016316862E-002
  0.21184575259728902       0.28468880816661873      -0.26238205019372773     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.33807253529821868       -1.8264760362066879       -1.2214145523738220     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4990681497960980        1.1627774829223789       0.69971021234235653     
**************************************************
     Configuration num.    199
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6011227208961590E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5971949534435153        7.1119152456816046        6.1930158660995636     
   6.0948931210188055        7.0450436051280541        7.1817559294358677     
   7.6503468545938889        7.1900373256581531        6.3379714959892990     
   6.4624312357342752        8.0867126844721788        5.7947496082483632     
   4.1853278797053362        9.2401908892122915        6.8338039639248782     
   6.4157399349169157        5.6466534398366948        5.1624471727974921     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.659714674020737     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.70013475725063579      -0.68697663442956391        1.1786908186826224     
 -0.12488992768438129      -0.18859826517843239      -0.77403242831425922     
   1.4152283277133451      -0.53120032572279730       0.65329210357983136     
  -1.5717317485015925       0.71574259106576776       -1.2087346048955605     
  -5.5887275958822487E-002  0.13056218783431114        7.5841047468857156E-002
 -0.36239362375692535       0.56205021360897101        7.5767062953865941E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2680929616267493      -0.29413157002577445      -0.72044740689368558     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.88652641326111248      -0.96709656466383342       0.96865473117094703     
**************************************************
     Configuration num.    200
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.6011227208961590E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5897681584819034        7.1098976246698706        6.2040590682835299     
   5.9511159194203707        7.2095255013133661        7.0709832036850990     
   7.6733737310615657        7.0067087228658833        6.4699075649479587     
   6.1253766751399814        8.0660412340605863        5.6625523318263591     
   4.1684080936882060        9.2816920384606227        6.8473890107912627     
   6.4868278527475480        5.6102944865674402        5.1576482887783914     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.611518175704305     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.36851752342463673        1.3546388839469625       -1.3394499224348539     
 -0.51116183292886208       -1.0619832367307422       0.60714713282001886     
 -0.73562036093166827        1.0789986699441263       -9.3969697944938174E-002
   1.4949503390254968       -1.6683340731689453       0.48564710206882994     
   2.6033089687288020E-002   3.6567437948337639E-002   5.5211896277097550E-003
 -0.64308527220679990       0.26004787089472725       0.33629669465585071     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5717151996932763       -2.3235686628051959      -0.61312955728454999     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.3146575216436771        9.1959480587059227E-003 -0.68162178523361316     
**************************************************
     Configuration num.    201
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.5815386351202737E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9201093087784056        7.3468022660264358        5.3549948646330074     
   5.0298799742141647        7.3633218666353137        6.0769420723592802     
   6.7087794526349098        8.0632142796284150        5.5186552658458572     
   5.7767051824929823        7.3647632643424510        4.2823585205993595     
   3.8847577218518587        8.7992605017040066        7.4037392351146165     
   7.2494582631958169        5.9550350675008703        5.2641491381770207     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.570260916496178     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2546708929778188      -0.62755623051364395      -0.40114399954179591     
   1.0252427140353639      -0.29400002777401507      -0.42681489707464926     
 -0.42471246910758703        1.1074717029319521       0.66439912695564174     
  -1.0299752898252870       0.23153293534141556      -0.31977483962894637     
  -7.1159302682397674E-002  -2.6288857340497421E-002  -2.6294724481934133E-002
 -0.75620951813178872      -0.39073789613945020       0.51015371991975866     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2328714358019845       0.75218861150039285      -0.48307822567085890     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.62264540509145849      -0.28774561764619988        1.5745516387209222     
**************************************************
     Configuration num.    202
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.5815386351202737E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6922606561116433        7.0061891218207624        5.3776950657326301     
   4.8065712268626664        6.3660077808109952        5.7363909949519947     
   5.6390095333761945        7.8640521024411365        6.2800836168803382     
   5.3942962589382031        7.3532092843133929        4.4660865289517417     
   4.1374871937370132        8.6790206517927722        7.4912368156381568     
   7.2629584623636090        6.3269666063303029        5.1007461831202541     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.463332335822319     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.6339541333288741       0.90264939724804871        4.5921600148806405     
   1.5998720256196028      -0.10873496214037272      -0.30508087435071990     
  0.20985438996281053       -1.6413053673451161       -2.1289541518921302     
 -0.92869386357138828        1.5461267665259659       -2.5765501861721387     
 -0.20337683607561796       0.25287363528104867       0.28882383552443869     
  0.95609687487154293      -0.95024609499099877       0.12876803157243977     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.21948448284594521      -0.22268520204223485       0.32823644625707216     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9789184058467821       -1.9739511078239476       0.84964989494529364     
**************************************************
     Configuration num.    203
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.5815386351202737E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1792971881275394        7.2079518623005026        6.0081040262228997     
   5.2696882093631281        6.5939009490590905        6.2014175375932412     
   6.6676829461110918        7.8236022084002910        6.8424641642314512     
   5.6151520582256502        7.7885887716273263        5.1743967100142987     
   3.8395177143253245        8.6133321125839366        7.1752903226230540     
   7.2026964644917379        6.2540303938400914        5.0072855425029816     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.429719277222599     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.9474538026400769        1.6969700481988232       -1.1530936217463399     
  0.84252286217414363       0.16829650452117315        1.2514144328796284     
 -0.86095775141007147      -0.99455786751004327       -1.2136207281053786     
   1.1367615965642413       0.42644049598889577        1.7800963668596612     
 -0.27802970245721137       0.17930561939115308       0.16262685401843943     
   2.1075342379259050       -1.4755220024803246      -0.82728013445032023     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.52142828901652882       0.63468627178018844       -1.6173322919299400     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5695746019165191       0.49516833947125061       -3.6230987233366494     
**************************************************
     Configuration num.    204
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.5815386351202737E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8869223845585443        7.0097563621631327        5.7908869529138531     
   5.1146068914146090        6.4948405645552425        5.1818952674722958     
   6.2108626455432496        6.6814836632081116        6.9311143594789391     
   5.8215349007396568        7.9859696554587716        5.9858806338479722     
   3.6797623736450253        8.2884065251694299        7.2111240305918898     
   7.5072572904532944        6.7638689176946176        5.0585120796946033     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.273326790311103     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8544586308296589       -4.2339513759024712        2.7846554701480004     
  0.33118966750589951       0.32792728434687107       0.87557244607970897     
  -1.8823415777120081       -8.6225487694504221E-002  -2.6427588236137987     
 -0.98856624748864885        4.0762276652101264       -9.5461775472551608E-002
 -0.29396256782030444       0.12493115863555522       0.18021938605450274     
  0.97740323609578517      -0.20697592602023657       -1.1015413006632113     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.98583669365846727        3.1919863604814420       -2.7944538855636525     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0376970590905161       0.75687909710648682       -3.3788548800154334     
**************************************************
     Configuration num.    205
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.5815386351202737E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7931506365262972        6.9688549099179413        5.9123233124117966     
   5.1644145405832971        6.4836547802630555        5.1798171561358624     
   5.6413970335138961        6.2380848744624267        6.9015038717699086     
   5.6982168805223852        8.0893029008041601        6.0027127536387264     
   3.6994220825849116        8.3379052573352475        7.1495942315207452     
   7.5919102320063709        6.7678571303201318        5.0805770606428524     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.437743291792003     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.63259753462184576       -1.0729627755742912        1.7233399115971495     
 -0.35374969840138104       0.30436515538309517      -0.55845893550191761     
  0.97591623301196107        2.3617637450239641       -2.1883724582485158     
  -2.8789130828362274E-002  -1.4961942962805639       0.26542563293378801     
 -0.47647141140764865       0.13755056548151948       0.20752853016402481     
 -0.74943158678253563      -0.23547383107542377       0.55036456584442939     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.54000512491438812       -3.5762424709356395       -2.2663421602138065     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.98778682286491037        2.1494762641411880        1.1737164434579392     
**************************************************
     Configuration num.    206
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3257690365117053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7718583653899369        6.8970088369509241        5.9960373946862839     
   5.0414344563139144        6.5111319439917548        5.2234073902170453     
   5.5203217924907779        6.2697452439148211        6.7451674942605937     
   5.6353861232980487        7.9586293949875415        6.0559395629279518     
   3.7218401939847423        8.3750562894808684        7.1051628499956898     
   7.6113302104349367        6.7631176591975253        5.1033625305202834     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.287761445047181     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   7.6761567487005855E-002   1.1969930042881516       -5.0110439692685320     
  0.90513260847400590       0.57861313529027081       -5.2989257343370802E-002
  0.50351731802544897       -1.8624929847555247        3.4317897951721199     
  0.30882552724083057       0.35312824385389985       0.54089706017760286     
 -0.57561270751018379       0.14754437630577272       0.25722661250450424     
  -1.2188467651473589      -0.41489966187702898       0.83340979193734732     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0504880981697222       0.91568921873263298        1.4961642292109059     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.94249237628939797       -1.1900671269090384       0.15637733035199400     
**************************************************
     Configuration num.    207
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3257690365117053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7820876249559374        6.8396730863965569        5.8666130129356198     
   4.9972132328775043        6.5577630409993377        5.1976853672245111     
   5.4776939071712798        6.3334122554535659        6.8485657183199731     
   5.6364295132267150        7.8681206263855499        6.2205112356256445     
   3.7371677179332949        8.4115167781180098        7.0718291851789390     
   7.6022182179974465        6.7438490115930509        5.1532117160023967     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.478525545658844     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.45697072570389818       0.47396841460279221        2.0607374524358009     
  -6.5587538093332273E-002 -0.17143014749890256       -1.2964729652210638     
   1.4053000494745331      -0.25945130236235459      -0.97511130483142860     
  0.34051784801999474       0.20209769984120513      -0.72440040248262971     
 -0.61184996623882915       0.24122739017326172       0.32491307094240651     
  -1.5244818297334619      -0.48470841096105538       0.60997169176792143     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1359810975791880       0.22296731724728891      -0.86152223966251074     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0635166512262793       0.51582712412549669        1.7578516327210076     
**************************************************
     Configuration num.    208
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3257690365117053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8150680686239014        6.8301618968505151        5.8127015293201847     
   5.0353854799736029        6.5969560666127229        4.9867017393981632     
   5.5774606367179738        6.3916533909170843        6.8420742347726700     
   5.6999803903444048        7.8326126331607240        6.2619845105078555     
   3.7414522551705929        8.4317256542819390        7.0464930348119834     
   7.5640271700575905        6.7198755520716942        5.2166698356151366     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.519444989027079     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.86219483929913865       0.36257009601990786       0.80615071109436154     
   1.4357854142961870       0.34028836685793834        1.3622722281421824     
  0.61532800297680823      -0.90485514893698482       -1.4594186529296511     
  -5.7669950499916862E-002  0.40915337627490739       -1.2511264885445299     
 -0.54398842334497621       0.27195304775343043       0.34225067515479701     
 -0.58761650647711949      -0.47794433791619384       0.20104196571218919     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3927015805403973       0.61086772702353254       -3.1509775404860307     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3488090189256461      -0.37697019427612988      -0.81849592658012427     
**************************************************
     Configuration num.    209
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3257690365117053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9086375600771541        6.9508300036785080        5.8641641831204705     
   5.3320062142730524        6.7702777085666082        4.8757119707900269     
   5.7573019908356917        6.0937597448502112        6.6449165177512910     
   5.6701459820160061        7.9755306075010992        6.2750816415583293     
   3.7375255303386856        8.4269249563281399        6.9549269025225096     
   7.4858628480895026        6.6817256249156127        5.3240902957053873     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.432464981999598     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.6268268226494733       -1.3193890822800087        5.6784448352510813E-002
  -4.2143010386142328E-002  0.29853000810829050        1.9393703397989219     
 -0.51344548819029168        1.6822085437610692       -1.1999986395266178     
  0.29444459911214849      -0.98612729049252013      -0.26229686330084490     
 -0.80344000941173144       0.47627803535288865       0.37992064988017515     
   3.6905603968023373      -0.15163746229622554      -0.91194508650455208     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   6.7380616773772362       -2.1225189485222633       -2.3828748347909103     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3217132011169348        1.1123992495670745       -2.8730773423209817     
**************************************************
     Configuration num.    210
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3257690365117053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8559072423800691        6.9324461262863881        5.8614607675547745     
   5.3022205039609753        6.8550089780360350        5.0182927038749874     
   5.8926763735374319        6.0620764929255095        6.4885843247576949     
   5.6764041424777023        8.0251712266605377        6.2550717730379581     
   3.7557270339618731        8.4624785356408285        6.9687192398381406     
   7.4729065004320798        6.6408143665500932        5.3150229756823855     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.202478015636643     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2920975645582962        2.0790082966500085        2.4124994175341783     
  -2.3734117930029326      -0.54969963964920388       -2.4682769695988860     
  -1.7300168364721162        6.3026253709795144E-002   1.1592054397194103     
  0.39631342686748533       -2.2150694178505868       -3.9140148594458080E-002
 -0.80942592482608999       0.48446562618428851       0.35305166676318805     
   3.2248308594476454       0.13849563279215504       -1.4172410385103271     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   7.1716290601911377       -2.1149997418129143        3.1202439699671487     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.6919685068623022E-002   8.0969506679221356E-002  -1.4780385133594900     
**************************************************
     Configuration num.    211
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1792520258156000E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2259678486149381        6.8337991553854511        6.2172094900069812     
   5.4125617442928196        6.2241712435938679        5.8657183641801911     
   6.3954927098036976        6.1094655600089842        7.0041130223099746     
   5.8002696305375832        7.8101091537253957        6.7069152280178956     
   3.5636631298327752        8.5028850079864817        6.9661308579053358     
   7.4564438990434878        6.7239204806898334        4.9923331256821069     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.512142518615288     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.6481330357658057       -3.8666322227561833E-002   1.7030580848302783     
  -1.2444499948062957       0.55603840776761237       -1.0502759017039929     
   1.3263581388352348        2.9516729257534319E-002   1.0312234801986375     
  0.78707879054080920       -1.0987476246523402       -1.3934242397887089     
  -7.5740146575280845E-002   9.8909659653980353E-002  0.13653969446823616     
  0.85435267867386933       0.45295610146266035      -0.42757046404587773     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6433154653653104       -1.7410560237428110       0.54272369104356943     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.32053257634415161       -1.1048316070339186       0.69706177634477517     
**************************************************
     Configuration num.    212
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1792520258156000E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0725422200930854        7.3130417851040574        5.7731976462120791     
   5.5003037109133510        7.5262779144419270        4.9062966193350652     
   5.3901535914144532        7.2063782699186074        6.6961720898881270     
   6.5363405640771761        8.4100375025581595        5.7718605376063765     
   3.9320033481396162        8.8383461884369297        6.7312338735933368     
   7.1605629958042920        5.8877407674237450        5.6261440446832482     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.471388702115746     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.20223066985333230        2.3008655388792820        1.9053868429616692     
  -1.1116349391530311      -0.96509326413309682       -1.1929918483366930     
   1.0916330445224003       0.15932881791928585       -1.4532813324320446     
  0.16271245467689180       -2.2568220670201504       0.80992619770177632     
 -0.71521273849242939       0.62881312513388243       0.23475966862025527     
  0.36976943302029930       0.13076863113552273      -0.30340366834378679     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3658245177516464       -2.1911944176558031      -0.57008820877717625     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6333826214850407        1.4411037650028735        1.1273177648584800     
**************************************************
     Configuration num.    213
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1792520258156000E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0092853771793022        7.3774653413267224        5.7960877954669447     
   5.4530323296854917        7.3329423150679620        4.9165761373346744     
   5.5665751094424989        7.1411298762785966        6.7984101827430425     
   6.7599740756184694        8.2022321259763888        6.1959586321995461     
   3.9325842355728109        8.8780612539800838        6.7022756346402339     
   7.1416097096141931        5.8788204482939417        5.5868035104862379     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.419940446842929     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0982763075301243       0.20965235957253212        4.6769822329643986     
  -1.0515490841179422       0.74500846046245339       -1.1538478122285094     
 -0.51128778411216269       -6.9541262542268389E-002  -1.4353296111070450     
  -1.5782983631484424       -1.0150660892781451       -1.9355452447679611     
 -0.46162933839293452       0.49679379128466661       0.12903074913124829     
  0.50740383738066175      -0.36957437849802427      -0.28211399795129205     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.67590823320321969        1.0770104610215466E-002  -1.4887358942134636     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.3540183543945075      -0.55328805869806208      -0.68246133021090560     
**************************************************
     Configuration num.    214
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1792520258156000E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0498072918491790        7.2314804418152745        5.9686607275818124     
   5.4624534183257936        7.4775895979483513        5.1924286729811389     
   5.2893549624268559        7.1323052677916774        6.7188288467932660     
   6.6232134640873710        8.1490675666813548        5.9844392343859516     
   3.9092006387904701        8.9205259604682361        6.6333467930317092     
   7.1969096452825516        5.8764875266374919        5.5989873461667967     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.528780050402023     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.1072219946326900        2.5969683788064971E-002   1.1508828070210049     
  -2.1927006805013267       -1.7891731909633793E-002  -3.6964578189035286     
  0.24511102980494781      -0.54539624525851260        1.2938160932408467     
  0.55562103591472023       0.22494758809486307        1.0343991707636586     
 -0.54241703319952128       0.50527896123630489       0.13547599867915905     
 -0.17096850927698284      -0.19358709648861003        8.2499737788752747E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7684392618769089       0.82796386569980274        3.0377147283306800     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.65531443698822034        1.2150597277714533E-002   1.4683601659569758     
**************************************************
     Configuration num.    215
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1792520258156000E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1247883866177144        7.1618517375723592        5.9781289879175974     
   5.4272557902341099        7.5227617583925221        5.1888863959486509     
   5.2671166731795198        7.0597999994000569        6.7545233680352084     
   6.5191233922583907        8.1891113934115900        5.9619203702757257     
   3.8775031719647846        8.9444556553683938        6.6200105281762793     
   7.2214287640814714        5.8747130087753980        5.6080290013900349     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.359223183127366     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.0230827198425545        2.1207373388136492        4.8824479954272748E-002
  -3.1236287657409822E-002  -1.3924903831678508      -0.81413697324318701     
   1.8845423818495950      -0.20192321823095619      -0.40595622404833648     
   1.0877909427289039      -0.27533667186030442        1.2508002326120047     
 -0.38988568207904095       0.34502088262749558        8.6019081052920179E-002
  0.47139963480278968      -0.59837024563674190      -0.16459125064336350     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.18596275263742990       0.15582776609739291      -0.14392151900182404     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.34098774758768896        1.2726889501132663       0.95755298057371518     
**************************************************
     Configuration num.    216
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.4077896066176643E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9924868060070162        7.1908768309224556        5.9415759803640142     
   5.3491467486182884        7.0009205282571827        5.0001748482573936     
   5.7010893876350677        6.7346527069246305        6.8984583116655420     
   6.6134002219039125        7.9824886374340620        6.2995922796071380     
   3.7414111804230625        9.0489997013541696        6.5932930392733580     
   7.3515554571935544        5.8792097976449247        5.6140841190590471     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.476488059859548     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.16922612083164820       -2.6965987738279908       -9.1256909786614521E-002
  0.85253470205391479        1.3292440805630226        1.9298418120279595     
  -1.1863487664676573       0.16518233040420821      -0.54182323060636572     
  -8.7627202057609904E-002   1.4839241716790810      -0.98064135638207550     
   7.8308146393075040E-002  -3.6715610191651121E-002  -3.6945944657913571E-003
  0.51125553094638621      -0.24622045947226420      -0.31215336337682209     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.13508851690571189       0.58881526710741627       -2.9256024290770459     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.16692914284558363      -0.46539784322056693       -1.9151636453712586     
**************************************************
     Configuration num.    217
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.4077896066176643E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6240175927537610        7.2759182614079299        6.1054389773454574     
   6.8515574614329031        8.0684840422506987        5.4717597880236202     
   5.5598676861849405        7.6387004491804538        6.2326993439253098     
   7.1705628816151217        7.3965668992307316        7.0575008772349648     
   4.0095785177811507        8.9340798362691256        6.8068407031037212     
   6.6529951216711849        5.8089777519256653        5.2814182780544172     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.619339501705099     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7317068897345864        1.7114733384933696        1.8089268639976350     
   1.4238704203793344        1.4896839953795440       -1.5331579925333965     
  0.22410855744656694      -0.70142898269975107       0.75325391494102889     
  -9.5529639736538496E-003 -0.59959593624938690      -0.25678758801911084     
 -0.34814869938406523       0.27245797415919465        7.2124006463467782E-002
  0.44314317594459934       -2.1703114170145517      -0.84443152361030371     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.44667980339648361        3.7377361679188361       0.92244426910886845     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0063542933442908E-003  0.35672826086225845       -1.3621690274571965     
**************************************************
     Configuration num.    218
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.4077896066176643E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7374657467142045        7.3920071523979018        6.1801457251574083     
   7.1467047295554469        8.2210056316347089        5.6148700808720244     
   5.7569732551944819        7.7282652970741914        6.6220233684759826     
   7.3402492589236434        7.2855749166120969        7.1350207329496795     
   3.9531225795513873        8.9193160783436429        6.7669751875580211     
   6.5963327727325485        5.7696213652000035        5.2271558089323991     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.777018463285454     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.18967501322298189      -0.60714539975474480        1.8978235147108133     
  0.19202593669591483      -0.14524114619150896      -0.76588120461851006     
 -0.14848840150953868      -0.40687422454740169      -0.98901370076146955     
   5.7234200472344267E-002 -0.55797501632956781       -1.1247395333107437     
 -0.21333643546896591       0.17803017233050605       0.14367562328341366     
  0.30135742530610332        1.5375664517294565       0.83736169616408918     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.26789091187651765       -2.6668150559725232       -2.1630281693340598     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.63322698496587815       -1.8568813745680004      -0.48136750017246066     
**************************************************
     Configuration num.    219
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.4077896066176643E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6801397575854438        7.2790945564161751        6.2879020790357405     
   7.2056975165079358        7.9579197728865143        5.5655208277869193     
   5.5777454432430886        7.5861044597208318        6.4238057132343176     
   7.4334514112161747        7.1846422512254318        7.0886877303725946     
   3.9433531982571872        9.0087514445130861        6.8263298158162673     
   6.6285734243353547        5.7755491738335234        5.1644541600322533     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.792848457605487     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.10188406014264827       0.37650198330253087       -2.1214842841734072     
 -0.72370351726384730        9.3797101486928977E-002  0.53434401013427779     
   1.2780830365935065       -2.3846836025042808E-002  0.50322690245557489     
 -0.73142360268456796      -0.58846600469042931       0.28956951114288942     
 -0.10603221682280953        3.5527772245925918E-002   2.3166285549748859E-002
  0.18197270161559775       0.10770908374044416       0.77123629417087936     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3861239377634798      -0.38475237390387940       -1.3754395494684124     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.41722900425111925      -0.61201984693907419      -0.12921289982251974     
**************************************************
     Configuration num.    220
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.4077896066176643E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6614286639054363        7.4036315213205173        6.2006532166342945     
   6.9587458069155339        8.3173682133736122        5.6222891979859559     
   5.6160659873129815        7.4945825931163448        6.5901337437935172     
   7.5521637711683702        7.0174920273204684        6.8168056013716578     
   3.9974201370529605        8.8435695777993040        6.9165112946482878     
   6.5909906806280594        5.8871694551983378        5.1093356941829038     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.756312674440323     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4851068661246387       -1.2707248749710869      -0.23829878288431816     
 -0.29032116479175457      -0.79325837044098158       0.15539470807354794     
  0.65967685838080303       0.28178783987370282       0.34762426729171231     
  -1.4416649898109206        1.1183967519790181       -4.9241817616737835E-002
 -0.36043201846929385       0.19358380016120508       0.12541610962193656     
  -5.2790982903919620E-002  0.46904731425469892      -0.34065877187572163     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4883965339601661       -1.8639011424100020       -4.8658735928540649E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.9658777010809655E-002  0.79289070792032679      -0.59581590309591159     
**************************************************
     Configuration num.    221
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2091066257418413E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8086705463443167        7.3081132483653368        6.0716043024158752     
   7.0367150192050527        8.1838260250623449        5.4559066129334832     
   5.8439700416739289        7.5743917999025037        6.5859582074069749     
   7.4652349734871528        7.0176160782193993        6.9333297169650061     
   3.9681378621386711        8.8025647831603013        7.0007586873222181     
   6.5456868802920054        5.9665830078823410        5.0749047495404547     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.823163492023468     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.69387931378984158        1.2512788815379738        2.4010496110416666     
  0.63080752927038275        2.1516319417479418E-002  0.29706311425555432     
  0.14518439112290091        4.4624410960961543E-002 -0.42093010417552335     
  0.25187846785292745       0.55798561249294842      -0.91010319239421078     
 -0.11815611732956832        7.2152623454490791E-002   9.1269109838784085E-002
 -0.21626445928684124       -1.9479516778961290       -1.4588660758859615     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.8947293923839341E-002   1.9652747253147358      -0.15647069460728411     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.60664738053435607        2.3037434030641331        2.6043580162259512E-002
**************************************************
     Configuration num.    222
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2091066257418413E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8376533933192984        7.3583531258308748        6.0995925014418964     
   7.2038608067413827        8.1147760257841117        5.4050960509806529     
   5.8687202368459808        7.5750024143170096        6.4465681641662709     
   7.5487245657582456        7.0464845860870717        6.8389429148460410     
   3.9374248272400045        8.8310463496474547        7.0538088074058951     
   6.5355104199452931        5.9255454472549376        5.0444813005635520     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.956262737587849     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.64211437149436990      -0.75627072124224404       -1.6128489081059034     
  0.16853896713144392       0.30824383966653524       0.25780357529368814     
  -1.4482162386164585       0.90025221645297648       0.99886083010053173     
  0.49968292255434266        2.1297166902292983E-002  0.58337108586324049     
  -5.0273793584651977E-002   3.0524453403851175E-002   4.3617009993863122E-002
  0.19036305717349852      -0.50442387629952357      -0.27095921278765511     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2178915021718533       0.65894927060189723       0.35238376164421376     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.60800704815483408       0.60979017524985468      -0.44463754812506939     
**************************************************
     Configuration num.    223
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2091066257418413E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7750461744578141        7.3298681174948284        6.0027599456735521     
   7.1928874806820815        8.1824223321805025        5.4462282231542503     
   5.7648303243398846        7.5240001681009945        6.3468875914786533     
   7.4878517065534602        6.9430276420602901        6.7681505607995378     
   3.9631331000813121        8.8271706957593778        7.0988964887188724     
   6.5508401325163907        5.9488661402231999        5.0467921143165952     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.787315671914261     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.95809773751649197       0.52375453160969421        1.2719846879226191     
  -5.3997185328433922E-002 -0.15111296527228615        2.4704495173958715E-002
 -0.22967750711545520       0.91501263678921652       0.84852665675392569     
 -0.44047622973806166       0.96227664278328029        9.9993520364730248E-002
  -9.9373923193333685E-002   3.0447335496039583E-002   3.6759477017714232E-002
 -0.13537473417985851       -2.2799213700349323       -2.2815482699740044     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.32625573287039566        2.2267224347524324        1.9002827947856549     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.13394324098556251        3.0872151408244481      -0.31758336197102693     
**************************************************
     Configuration num.    224
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2091066257418413E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6173724539716803        7.4872767450957625        5.8466746969176047     
   6.8370291514862753        8.3453546266762562        5.2312319971641994     
   5.7456549218841682        7.7508923021188494        6.4082118168827886     
   7.5055182947746708        7.4034676514223605        6.4838968009644162     
   4.2164965997924106        8.6099415226700859        7.4092750391391977     
   6.3912144724938971        6.0168359339195616        4.8387023113786229     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.899967341652200     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5465435601828057       -9.3354527069314380E-002 -0.44383835037990599     
   3.6943800145633251E-003  0.34273385908989018      -0.90232624731572386     
  -1.1362294660454464      -0.18928760448250520       0.68683924160416021     
  -9.2180558628387303E-003 -0.55324366936185387       0.16809783809811751     
 -0.52860450296031991       0.32596675766976235       0.38525786367834769     
  0.12446856062034843       0.16802181025297536       0.10861908763367147     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5293252588376767       -8.9296448776219881E-002  0.94556136726500206     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.97191960173101410      -0.32296207705754204       -1.4523754269416158     
**************************************************
     Configuration num.    225
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2091066257418413E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5833500426209675        7.5306079567890096        5.8076395735935193     
   6.8585644880368424        8.4461531700353163        5.2468652968632208     
   5.6562289570094499        7.6187996535652207        6.4347733785107328     
   7.4416097010424727        7.3985121811025172        6.4346291340973627     
   4.2558487691350626        8.5677787329423616        7.4508150481597033     
   6.3782589429548970        6.0484085653647739        4.8111848699378967     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.838902395120162     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -7.4954478735773294E-002  0.14972493524924257       -2.0135695485121320E-002
 -0.69074106419783110      -0.40501180316680063      -0.43739520482315275     
  0.40327895242619333       0.40807066930624353      -0.41593044925240269     
  0.72977495359820199      -0.57746818611984774       0.73217434935185444     
 -0.63703842520128140       0.31856882315238833       0.50690202844192367     
  0.26863110933753931       0.10565229130072122      -0.36609042037670292     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.86180068400637388      -0.53876680030500390        1.0625468913559453     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5966843625810854       0.47723613068923587      -0.18572884060432696     
**************************************************
     Configuration num.    226
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0878696752894833E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5701582451689591        7.5968016702021481        5.8060236105577747     
   6.7548644453587006        8.4966674279988279        5.1554015381787970     
   5.6085394802098039        7.5694661475145217        6.4022701891449971     
   7.4772098602786521        7.3270635945089575        6.4725057524398562     
   4.2836858435297245        8.5444989137956018        7.5056201321392733     
   6.3679550567294347        6.0571908426086711        4.7666404310617851     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.754466931171919     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0121806156568660       -1.3891749157212614       0.44140352280569967     
 -0.27394570911763322      -0.84596640882415064       0.49793009487266676     
  0.77221111136981113       0.76432775553935894      -0.35258449283819060     
  -1.1946675215485041       0.69502935907763197      -0.93054035905061327     
 -0.63954867387282133       0.30160357415422689       0.52320723783883805     
  0.32301659704141933       0.47470920858233745      -0.17866778419526497     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.93199925277527107       -1.7591884001564302      -0.49896027407179910     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.95320813635765467        1.3360092822325889       -1.4350796462044597     
**************************************************
     Configuration num.    227
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0878696752894833E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5729464366716561        7.5722750781372206        5.7465168174439034     
   6.6429752734718654        8.5103919971626674        5.0868058208269220     
   5.6256065706944778        7.7762749599165240        6.3682633679414975     
   7.4986583054276030        7.4189142607957468        6.4682447472389679     
   4.2744896869873079        8.5373577254533544        7.5373239738838462     
   6.3844850235805399        6.0373964459759177        4.7671536165678203     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.761618035185165     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.80866114599795069       0.65074423483684551       0.86502218334590331     
  0.40433415038549836       -1.4094278499298611       0.46722629701022889     
  0.76880822821698769      -0.55699463905981461      -0.37803212970616712     
  -1.5952456051020274       0.42132760542249464       -1.5215131595115223     
 -0.54600092395433242       0.30224075699729164       0.44763280313361448     
  0.15825187856726688       0.59232570291885778       0.12013650132014558     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3516505803875625       -2.4010685110438081       -1.3075662228838767     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.1271949893822199E-002  0.74961332397109570       -1.8863750738147897     
**************************************************
     Configuration num.    228
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0878696752894833E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6535714207068040        7.5036964745930428        5.7253096076196250     
   6.6180083749858385        8.4340952880691837        5.0389386284166715     
   5.6864966970716599        7.6855086123322733        6.3976649460032409     
   7.5660010172093166        7.2817922427447099        6.2019180116736043     
   4.1831202704916954        8.5857658990824977        7.5279223377964195     
   6.4368887547480416        6.0465415938170093        4.8158717899540626     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.723260726124636     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.8338439618570734        2.2626149786226715      -0.23778794281033391     
  0.59744433072672543       -1.3283936320547585       0.78575133612396886     
   1.6674306884195638      -0.31162908681594492      -0.47811019272545457     
   1.2737859965474043       0.68416073097959473        1.0936870954121021     
 -0.22439868797871790        9.5267998233608028E-002  0.14730373322426998     
 -0.47967837769373889       -1.4017095376074917       -1.3100737479394553     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.32552060637365898       0.21495216698496641       0.59133304778090334     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.97060042361288268        2.2663765008853272        1.2639638266162005     
**************************************************
     Configuration num.    229
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0878696752894833E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8380064579146751        7.5319467774083648        5.7941150189774859     
   6.7445785826614593        8.3479775628261095        5.1031455282725906     
   5.8828700424953801        7.4851287803367255        6.5517729479893125     
   7.7972822090286504        7.3946261669933158        6.3636496340688042     
   4.1102095913577790        8.6056615111702044        7.5225870211941404     
   6.3847846759890174        6.0366688329646063        4.7550178449207081     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.710489804969942     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4204993326085495       -1.9846752350795991        2.0272211264971181     
  0.25026472085647361       0.66117188500639701      -0.13981752774381773     
   1.9795427729990092       0.90150784453191102       -1.3278971121306409     
 -0.58335513734181244        4.2687732269247977E-002 -0.86655468078718778     
  -1.8603426159807747E-003  -3.8123320898108673E-002   5.4796624631680613E-002
  0.77711182602514384       0.41815730805259393       0.25459708156165112     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1120232218601629      -0.61905623927662845       -1.8964730724035224     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.88298901235518901      -0.26135811850365431       0.18845824662817512     
**************************************************
     Configuration num.    230
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0878696752894833E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8656634498996691        7.4992404915359749        5.8095503141256639     
   6.6612903826066514        8.3241025901749186        5.0759172358669851     
   6.0707977789646312        7.5942865100568753        6.4164556201698142     
   7.8143320183119664        7.4630069692960177        6.3327886350394742     
   4.1229768649973995        8.5602620659515409        7.5500662425118277     
   6.3489179322474909        6.0758115710534524        4.7441305381657655     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.600595118510000     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.61451810192073208       0.27016554745773125       -3.7814375210788249     
   1.0585062235122304      -0.21350000004727707       0.67391028027374134     
  -2.9486969834309158       0.24691357897129776        2.9641670287004431     
  0.45557120361614001      -0.34711977048113335      -0.38371160201254356     
  -4.8225419388137659E-003   4.1232633310198302E-002   3.4986709721169545E-002
  0.82628463795432439        1.6853615800480474E-003  0.49211441842320691     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4090577214249826      -0.56192121928562777       0.11406813547494826     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.54621589894718958       0.15056561828451126       -2.9332164313691282     
**************************************************
     Configuration num.    231
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9738346920107210E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7833996923009954        7.4386077353241600        5.7634562683323622     
   6.7853558220510450        8.3024270186766760        5.1424477522694172     
   5.9985471138916875        7.7269157466920220        6.6178021238635782     
   7.8302306157136732        7.5049447077140883        6.2306140849974989     
   4.1389260491451623        8.5281574098221089        7.5504840207216892     
   6.3531988134094348        6.1112077517545780        4.7406333507044014     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.708606022684311     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.27654174298156536        1.8884077720993930        2.8933402694628532     
 -0.19455219536852444        1.0334307020564770      -0.84527349652813810     
  0.81370183648753669      -0.94259575130300743       -1.3997445309584637     
 -0.97289035717612582       -1.0798841268891533      -0.60951296707468994     
  -1.0164567725731611E-002   5.5408023377324436E-002   9.8168015580907875E-002
   8.7377055662467257E-002 -0.95432765791752938      -0.13866221016723462     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0301053466161263        1.2725958719216555       -1.0343177661118863     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -9.7137626315668815E-002 -0.81568668666770172       0.25473906508571315     
**************************************************
     Configuration num.    232
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9738346920107210E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7561465800657210        7.4873849274063486        5.8183330433518003     
   6.8832482598491014        8.3598198700979118        5.1558459043813292     
   6.0152903601634007        7.6758214367610522        6.6476333459046861     
   7.8112317630596912        7.3898988747329559        6.1052678775023033     
   4.1138014762334070        8.5203892158234549        7.5296034417238547     
   6.3767661078227471        6.1147203485361876        4.7521872828348428     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.909520459370924     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.94574218461269388       0.91581578668679753      -0.26548072758456243     
 -0.82252654322787078       0.12784955880191035        2.5815219368993482E-002
  0.16978067973512284      -0.21850791171315909      -0.58632978834473826     
  -3.1527352308256679E-002 -0.58169732392751705       0.68066730559235644     
  -5.7779725279539326E-002   5.1165419612019938E-002  0.13151743210650774     
 -0.20523453590168592      -0.29265897544438357        1.5493574713267103E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.54902838433872825        7.0972395708891994E-002 -0.54181275040829513     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.40418087852134393       -4.9552242697259948E-002  0.74996731022230201     
**************************************************
     Configuration num.    233
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9738346920107210E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8554215426933069        7.5916795156194654        5.8137105674587044     
   6.7323225026731679        8.3943628719523762        5.0715794093726201     
   6.0574844251322082        7.5523687543821465        6.5556724424136918     
   7.8954035160433049        7.2927185482199128        6.1682479545597459     
   4.0780834613253152        8.4865618447042497        7.5580447506595316     
   6.3816220851253931        6.1342097998495158        4.7380891844517548     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.850577906966919     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.51841215611921709       -1.8153557318275948      -0.97677756370676927     
  0.47111055131268953       0.23238780775456575       0.67500614306676066     
 -0.12038698588649438       0.60557638565311012       0.51223891318900505     
  -1.1062383399655011       0.90684006378702509      -0.36284936132516848     
   5.3747827521857094E-003   3.3229482278045270E-003   5.0432954384639343E-002
  0.23129892917563857        6.7703081676964039E-002  0.10461667843592970     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6744821857795649      -0.65645878106776512      -0.69789976991029334     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.36357101257987273       0.46007501504099535      -0.96104932823608069     
**************************************************
     Configuration num.    234
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9738346920107210E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8646618181884973        7.5944045566687883        5.7374176324568609     
   6.6376379606560150        8.4725061428650488        5.0412537885495849     
   6.1030921951431756        7.4056511687615156        6.5571317281781329     
   7.8687319987265845        7.3501997546941524        6.1890933013096907     
   4.0680452533088376        8.4705462460697785        7.5944805795382893     
   6.3970761453495477        6.1505537759101978        4.7284053482264223     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.684238965933904     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0913592115959267       -1.0980604240616014       0.44893514691214120     
  0.75870363599455470      -0.80420650491799028        1.4479329892032238     
  0.44859654952794265        1.3968942802732900      -0.52741286740950521     
 -0.50523851597599534       0.85525797906200207      -0.90196551562523919     
   1.6667105183099839E-002  -2.0891169137958736E-002   4.6812980271602758E-002
  0.37214954239110520      -0.32956897282858288      -0.51400524955522009     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6688135477787422       -1.1238409456884040       -1.5762594336163582     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.18042220163430259        2.1693692121325188      -0.65069595042857487     
**************************************************
     Configuration num.    235
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9738346920107210E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7052260880489500        7.4990901949163264        5.6989818950563889     
   6.6594630676136060        8.4303903623801055        5.1889505865463166     
   6.1112526130018576        7.4959044717982053        6.6547857354964739     
   7.7984506871985513        7.6025938776175206        6.0022664992421495     
   4.0637545246938549        8.5392539226488591        7.5740519646669640     
   6.4599279464140578        6.0802297119198530        4.7552524785668737     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.762378756291582     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.1385222894686375       0.54209305236947070        2.6412221461583858     
  -1.1787214330577227       0.81501734633393819       -1.0221681911524001     
 -0.10960198920238247       0.17849605928188375      -0.91135407841003657     
 -0.65867654159606404      -0.82587145625971292       -4.9644753064948401E-002
  -8.9619672655467750E-003   1.9433600087274530E-002   9.8147085986661886E-002
 -0.18251799806627492      -0.73027668738160423      -0.75598345945079104     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0042708839479229        1.1234782265571208        3.7378552272621032E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.82193613926427067       0.20156103108909687       0.43505961117078090     
**************************************************
     Configuration num.    236
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8734068793290427E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4968918393314832        7.6096564092967958        5.4946600428265473     
   6.1877209135749816        8.2858892829934501        4.7079273576888827     
   5.7298001843035360        7.4598200593865958        6.3813071255502329     
   7.5845638570206999        7.8738466468601658        5.6942062256832031     
   4.1158379222755999        8.6709222382011539        7.4626580954273560     
   6.5988193129708828        5.9008734740280904        5.0557518738997134     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.633958062875536     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.47253179520108674      -0.50236500532746509        2.1656227147102403     
 -0.67468432073329099      -0.13002489319568639      -0.45242302991989342     
   1.4084193847255930        1.7739448484357290       -1.1922275533057101     
  -1.2294273916732057        1.5744727010200396E-002  0.53047190453109982     
 -0.14760290268902082        7.8487514245523908E-003  0.14184766209250055     
  0.17217906717010256       -1.1637123284185789       -1.1947580134146323     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1807217574950575        1.0894811032813643      -0.28217558565042811     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3089926548429087        2.0196637387146446        1.0855329652689329     
**************************************************
     Configuration num.    237
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8734068793290427E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5096224809772343        7.7109521503564773        5.5841729022584170     
   6.1216579632143056        8.0848289564822178        4.5896436105417644     
   5.6920284301734663        7.7635929560125811        6.3660208605333777     
   7.5737882946251203        8.0019270223656918        5.7280681800071376     
   4.2803894270801770        8.5902881535193849        7.5800366125870688     
   6.4428857905863595        5.9211506092740160        4.9192972073795502     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.700733308075542     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.78693283900179012       -1.0536043468350207       -2.3710934124218097     
  0.41167370572119483       0.66249393429191827        1.2291618824746833     
  0.83394228877127563       0.33180090523435890       -3.2622964689211185E-002
 -0.62013344358270750      -0.27125472250100385       0.28661426689983843     
 -0.33360371072862127       0.14652300508681490       0.29010571447839817     
  0.49558032968969473       0.18478195900471830       0.59650424576449312     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2300031991736649      -0.45861513512076124       -1.3985101119225003     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0512421955431475      -0.27871009909910610      -0.75669748949693605     
**************************************************
     Configuration num.    238
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8734068793290427E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3737118042338583        7.5760618904654775        5.3731726092490479     
   6.1022398877979214        8.3921258166195187        4.5684810028353997     
   5.7393219768401780        7.8568029431226227        6.2721058534026808     
   7.3521068401195038        7.8922169635179014        5.7848339113802796     
   4.3458770930684256        8.5775589328236901        7.6750182885848215     
   6.4453090791403485        5.9467695644901299        4.9023786587106883     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.701002484092669     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.24438282642713177        4.1210163357090703       0.58182693687488030     
  0.36232761824087989       -1.8314111776961284       0.85928300164551563     
 -0.44434015098874663      -0.83599328992720012      -0.62170993947186548     
  0.21906497647756962      -0.19924151608550095      -0.46873427103083631     
 -0.17683392559482028       0.16413264108951345       0.27723518627428489     
 -0.20467779133794697       -1.4182838336079600      -0.62756238091224548     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.18896178348751236       0.19904236445433057      -0.91025773330565263     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.37794728860141680        1.5360926972718514      -0.81732256734278930     
**************************************************
     Configuration num.    239
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8734068793290427E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1950477457722695        7.7962465880169391        5.1869825200541424     
   6.1030879481600033        8.2238156635435669        4.0901619954514725     
   5.3678638633275808        7.8991131095278444        5.9423754298137457     
   7.1425930857184161        8.2461666231119111        5.4694594503074088     
   4.5200727542273595        8.3927826718626743        7.8810753746283604     
   6.3970951187229170        6.0312316885943611        4.8861510576050362     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.813414720977789     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.16486553432043549       0.41620409377736173       -2.5936434599283880     
 -0.66735890187089808      -0.50201408606635511        1.9265475257139881     
  0.37739295188833860       0.46203002160512918      -0.38564928375867225     
  0.33157620863593285      -0.21912773836470908       0.77548568708570842     
 -0.15764563014322389        6.0746529641516743E-002  0.17123558733648439     
  0.28192919993668325      -0.21700183868285086       0.10392040708488892     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.15005210145829004      -0.31774782290237308       -2.0513990136637301     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.62230885809033809       0.94822758204812052       0.56637776112994143     
**************************************************
     Configuration num.    240
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8734068793290427E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2718306383135021        7.8293136601641740        5.2013308909477880     
   6.0003855018830681        8.3539100457162689        4.1765341809344108     
   5.4827467473224214        8.1223228708423623        5.8464543432693903     
   7.1533622746542482        8.1439475416704514        5.6197247375855675     
   4.5373903629825447        8.3993263006459582        7.8506699123398995     
   6.3511751962304555        5.9851565998008214        4.8958190977382321     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.674501535997024     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.0352858429556360      -0.61239250328658934       -4.1380529106237445     
  0.97679382102340828       -1.0799963805958912        1.5565454300987409     
  -1.2467401985233790      -0.41309169357458414        1.3086765140904812     
   2.5585929317481337       0.61794152207175790       0.77400786841588998     
 -0.17010654065419095       0.15110788009141984       0.22817549872991316     
  -8.2960419720025963E-002   1.3369033321128545       0.27042275881056566     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4718282643250831       -3.1455842623069721      -0.36622110273145403     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.94053047643764376       0.96405063622180143       -1.0439204319687219     
**************************************************
     Configuration num.    241
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8052808452078601E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3083128428182418        7.8322145310374367        5.1411837164640710     
   6.0291548078835122        8.2530634042336537        4.2642556774129341     
   5.4935844129715656        8.1145551584597868        5.9245690105348823     
   7.3252033055308079        8.0236667183786086        5.6957775026096922     
   4.5122573561368897        8.4465640812009166        7.8255219524351833     
   6.3400918104320150        5.9627612401571932        4.9140528895232247     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.605189129955765     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1711321999104132       -1.9864410457331894        5.2355731356673134     
  -3.1696971070962525E-002   1.4026560286462795       -3.1922601978141110     
  0.85666577548147527      -0.76493796142482762      -0.54752982448573362     
  -1.6788517581382023       0.12725116398849518       -1.6078588354789380     
 -0.13534688846818360       0.12817666065308014       0.13549458451963811     
 -0.18146282967364372        1.0936104289012014       -2.3827685913684244E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4935663792139535       -1.9227375348252409        1.2425768688872569     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.16720055502471504       -1.5608694201905537      -0.48849309655501560     
**************************************************
     Configuration num.    242
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8052808452078601E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2802480606722870        7.7175070960780054        5.2680610521841196     
   5.9789031273799038        8.1842041184784584        4.3978588537747019     
   5.6796318462512962        7.8426302466631634        6.2609403745298495     
   7.3583169521407976        7.9523410553743270        5.4896047018929055     
   4.4791701843995648        8.4814034811254242        7.7601677114672230     
   6.3636296774789223        6.0132796503904196        4.9066592491301328     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.784343539893143     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8671605370592297      -0.53491758048030924        3.3541194940579304     
  -1.0058440343763984        1.4248995548065031       -1.7110689633026652     
  0.26929286554358722       0.32284624067498030       -1.4217905603393652     
 -0.75525004497100900       0.37287650412658824      -0.16997768402645719     
 -0.24411800466741407       0.11735567662958706       0.40111025455725630     
 -0.13139191098592981       -1.7027312811489057      -0.45229419777821278     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.73076953918582743        3.0472680749129295       0.65245894217934486     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.51441461497908514        4.6522603075196352E-002  0.39771641112356321     
**************************************************
     Configuration num.    243
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8052808452078601E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2691468333765945        7.7299376691181250        5.3815235159253918     
   5.8431240309207935        8.2810439468366095        4.4187571438374214     
   5.6406708928426399        7.7958335929094229        6.3247843213187283     
   7.2976255431076114        8.0534526416191277        5.5194582700773900     
   4.4802957400154426        8.4638417927344491        7.7219943243684179     
   6.3928277242846274        6.0095759266531772        4.8934637570892079     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.805059547219567     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.63689119247071013       0.63114576203942874       -1.9967780593008031     
  0.55857830550644028      -0.82188133711964240        2.0424456441600576     
  0.21244849744474151       0.27164790648116255      -0.74700195063314745     
  0.29644623388195890       0.27223986391923466       0.18057963937497520     
 -0.48905202702646194       0.23616868540939931       0.68291437010376665     
   5.6431138913282358E-002 -0.58909936336266711      -0.16419968243123007     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.25114813634858574       0.33022848905066354       -1.3228198657275900     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.2426663668799765E-002   1.7470040069232584       -1.3304723770354336     
**************************************************
     Configuration num.    244
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8052808452078601E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2949352716671374        7.7195306919143922        5.4103622405177410     
   5.6957394010295772        8.3627070125497749        4.6969757290689520     
   5.5736302407383160        7.7588420268765832        6.2693500945637739     
   7.2726096497806596        8.1079646105841245        5.7185886567093185     
   4.4734723438988508        8.4460890998099725        7.6744389982013628     
   6.4179293978102461        6.0196639460271149        4.8836461979852679     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.769183782970231     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2460155790946890       0.62462645513539650      -0.13714894329076732     
   1.1189373102024169      -0.63171175057896223       -2.6297251667417570E-002
  0.62282891993851475      -0.26282833459375454        9.1637097433343528E-002
  -1.6996449906798723E-002   1.9127431333072317E-002 -0.33814067529540170     
 -0.66099517813773079       0.34557691237104449       0.78038028289103445     
  0.18393652797460622       -9.3142349586846473E-002 -0.37109920595658441     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.41638160085371057      -0.45897838228965920        1.3658982201964396     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -4.0910190645743777E-002  0.95725930172248153       -1.6865113371553493     
**************************************************
     Configuration num.    245
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8052808452078601E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2895779339931677        7.7094034654500643        5.4186595359968415     
   5.7182799629031171        8.4146492846462824        4.7187171584571290     
   5.7672675468638825        7.6858417268713781        6.3869323478999753     
   7.2043400590267819        8.1069059522828582        5.8909149992438810     
   4.4489916341989284        8.4371517244814989        7.6445145774996304     
   6.4275372864180493        6.0345276142476667        4.8755975580987467     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.555589744329154     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.25996247646249426        1.0733628079865727       0.48941023834932307     
   1.0022791637909350       -1.0779608922386454       0.69903044959712946     
  -1.0471573577145119      -0.17641229948969614      -0.28359683908972672     
  0.61133093727309906        1.5969045228909566E-002  -1.2033776665358165     
 -0.59877854881721559       0.35078728098239642       0.80766862601176914     
  0.29143881667359683      -0.18537511984686933      -0.50826592144505733     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0446062422897144      -0.62961577068865660       0.24547707988015860     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   5.3247594105935117E-002   1.3362584737357126       -2.6576471057652462     
**************************************************
     Configuration num.    246
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7984926005427359E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2386755843032260        7.6919832889970685        5.4158945952625812     
   5.8104352097686762        8.4715647815413782        4.8510857005628809     
   5.6786309440256835        7.7057846311560976        6.3722557621972067     
   7.1705624199646207        8.0669575941758094        5.7857597680134001     
   4.4327401616277022        8.4306450195040856        7.6485193600722017     
   6.4644477752154090        6.0427716494111241        4.8711150388739641     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.555666349571993     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.78919363480727178      -0.24876982914077125        2.0876720443919861     
 -0.84786262409742363       0.36806617301740696       -1.7821800419887057     
 -0.46650194606352041      -0.41650313289981400      -0.29074347940521106     
   1.2998805328521226       0.20477791490084937      -0.10515877958016215     
 -0.67729060912731154       0.39919905693947255       0.87952190128758756     
  -9.5864373161831620E-002 -0.30582328248837642      -0.78738713837133678     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2846536166566715       0.58712721518185451        2.3882675996263525     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.47191937990581007       0.47210003013092905      -0.85161983685466836     
**************************************************
     Configuration num.    247
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7984926005427359E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2277641544317994        7.6801854386231927        5.4949229489317517     
   5.8263341117734457        8.4583792526573447        4.7522605208612836     
   5.4666711076915764        7.6757329347187886        6.3189205427222417     
   7.2821502244952239        8.0401858096380074        5.6165420808687321     
   4.4064345683777644        8.4358924113135654        7.6762392695878674     
   6.5039807315483182        6.0494200074754803        4.8528810061350018     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.630668558289248     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.78890490565360205        1.6715831640166896       -1.4125409207322219     
  0.14358801634968360       -1.3535948502416504       0.18316609353258695     
  0.86029295260173055       -2.9018104306053370E-002  0.15164784199538378     
 -0.77660523909720047       -3.5021419849631148E-002  0.89475087717871304     
 -0.76641283629663626       0.38524373760585051       0.85689303877424960     
 -0.24775731385558677      -0.63795029450679341      -0.67518975608407317     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.67270190511068684      -0.20535923484671958        1.7872840642871046     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.30662410604228812        2.0268388127853232      -0.90542621145626723     
**************************************************
     Configuration num.    248
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7984926005427359E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6063139038569689        7.6480603850013722        5.5569625790789443     
   6.4954052124895867        8.1483687472176065        4.5959518570455158     
   5.6844609220656261        7.8081528849948754        6.3103420482044994     
   7.5429934247875927        7.8160441488342949        5.9852076890821007     
   4.1996357936188478        8.6674603385596516        7.7671743964424191     
   6.4530417266587943        5.8740612270694736        4.7179362948385819     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.664601098825873     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.6999432692549115       -1.2667591762570640      -0.80798206441408449     
  -8.4415215916329250E-002  0.73340801359610552       0.24219022643576446     
   1.4743108126699664      -0.26352026401156570       -1.2223746559551911     
   1.8210498896309213      -0.22464749550605839       0.76455528419390884     
   6.6931300756884318E-002  -1.4844625470389616E-002  -5.2715822459225369E-002
  0.42188401504962286        1.0355790553932542        1.0754615245235128     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.40632101627204148       -1.9020749423460439       -2.1523357067385156     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.14818378314090919       -1.7920196745329942        1.6417943297445521     
**************************************************
     Configuration num.    249
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7984926005427359E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4664027603065559        7.3701753571620250        5.9284650856335208     
   6.7728466157353893        8.3690187842869683        5.3642699899228052     
   5.4965338140727766        7.4650366751170161        6.5783098860481370     
   7.3319281211720746        6.9649054735395177        6.5976080172697751     
   4.3115576423494080        8.6984496498812174        7.6504268229179822     
   6.4022339381949065        6.0470630155643281        4.5228100691961934     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.657206132679672     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3404589973527303        8.4581360473687028E-002 -0.15568644757418815     
 -0.67399392387829504       -1.9517004665884217        1.2560197979611210     
  0.94429798379481678       -1.9623869587580547E-003  -1.2331884823663979     
  -1.1883315218033466       0.84806448546711533       -1.0955705108028586     
 -0.31014851407861510       0.20630160862708463       0.34327554462140047     
 -0.11282459912420809       0.81605106624073687       0.88572105291437409     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8396291064554440       -3.2939900958734674       -3.0657639316341916     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.32195657396705568       0.75938907837800262      -0.13712793339638327     
**************************************************
     Configuration num.    250
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7984926005427359E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6317562168607029        7.3810600918997640        5.6634023381730261     
   6.9952794620767920        8.2243179230711885        5.0220325645750137     
   5.6411782511744537        7.7913496470516135        6.1930866225390711     
   7.4022825060271664        6.9137362573133005        6.2315745345479758     
   4.2551658833599788        8.7130918926076184        7.7170097957073756     
   6.3532527515982187        6.0140158951997691        4.6694007445060448     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.665306040152700     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4962772748836706        2.3708148472176567       0.25539238414703958     
  0.10300408994548127      -0.50263545247358499       0.43772668674384968     
   1.7171467239824174      -0.93520899662348922      -0.25727273856197902     
  0.74578364371156347       0.83955549368781079        1.5471912368757477     
  -3.3743266361246110E-002   3.0064457481101377E-002  -3.8597731352916206E-002
  -1.0362750307555113       -1.8036568681345693       -1.9454973764339001     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1765392621877433       0.77237097834793045        1.7148083064359108     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6960073034108645        1.9740843693010619        2.0759571327960695     
**************************************************
     Configuration num.    251
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7290569716313994E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5942389028696509        7.4530544103860947        5.6657440672567576     
   7.1184013131913968        8.2804507265308089        5.0952238377536281     
   5.7923257754681403        7.8389468498512072        6.2264412622339647     
   7.4079658810574003        6.8747658945324988        6.2466208919540822     
   4.2265905642265000        8.7222082478738123        7.7285660214125311     
   6.3629526428861674        5.9732022975774166        4.6433324721717435     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.616597077583265     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.4362816728753387       -1.3902096524181415      -0.61035216765678690     
 -0.58578057880968815      -0.89257017556118667       0.16136907557463512     
  -1.8526850493378879       0.12971923854547268       0.99639979908312881     
  -1.0646273134282835        1.9051146872911373       0.24996615378529918     
   1.9340611043487063E-003   5.2869187369034717E-002   1.1329562314942454E-002
 -0.93458906154632526       0.19678554943970716      -0.80792173192274797     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.0444176560761345E-002  -2.3118090286420889       0.91990030463924999     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.76022318546836842        1.4344221697683464      -0.30615206147559276     
**************************************************
     Configuration num.    252
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7290569716313994E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5462480505103517        7.4549308677752499        5.8678346861760993     
   7.3715928304036495        7.8237354200939606        5.1650940639946663     
   5.5918596962673908        7.9813470572901268        6.1262175572340558     
   6.9948546431244640        6.9753655095630274        6.7423074507825369     
   4.3421871069980265        8.8993567953293944        7.3751714210817596     
   6.3042754391655880        5.8195305731316997        4.8757600811585293     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.661699585670021     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7467203624368941       -1.7960049885360669       -1.6596204586604195     
  -1.1756829504488755       0.46553105856348420        1.2108202861540780     
  0.20474999646299047        2.3050149607524238E-002 -0.39819565513297378     
   8.0812907248184102E-002  0.53002553939738539       0.31364687393158019     
 -0.41669415305087404       0.32909957919423205       0.31949683158592040     
 -0.43865846556990901       0.45108205150213199       0.21178979304899551     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.60727939269361642      -0.71752241814163953      -0.83015948857211486     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.20165907357454052       0.14669403651493335       0.70588086139293504     
**************************************************
     Configuration num.    253
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7290569716313994E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7456851209186457        7.3246543261978667        5.8990217322055134     
   7.7474616623883641        7.5156079818141972        5.6055182061536879     
   6.0719509904161404        8.2661934245360786        5.8626290236490819     
   6.7825187593077674        6.8266300680412026        6.8990662116005339     
   4.3092027944330704        8.9761940253604102        7.1689407376566381     
   6.1970759697673552        5.8062371219376958        5.0337870840085985     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.701798915773679     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1010779720969686      -0.58476144726936674        1.2655878503795770     
   1.2134002438139744       0.21477812969217197      -0.63736611508714369     
  0.27927840512747409       -1.6611496167165649       0.10018089637091311     
 -0.11724063243762584        1.2796856227344571      -0.17427006428675551     
 -0.14054267325956327       0.22687855991407838        6.9491482218659584E-002
 -0.13376665444749980       0.52257226444254812      -0.62297290284062457     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.79063051492787395       -2.7929443543850723       0.11399787382696899     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.50155917034339692        1.0112835982612749      -0.49153917592591290     
**************************************************
     Configuration num.    254
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7290569716313994E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8008695692394667        7.3766665982424291        5.9270256480371950     
   7.8480856460183883        7.5295467608455002        5.4763799539932814     
   6.0320423035260369        8.3490955606528860        5.9117674381418093     
   6.7608522416230006        6.8493052406913666        6.8997301813268344     
   4.2913346995901147        8.9428868542663160        7.1583702216406238     
   6.1918426197395799        5.8084387800788591        5.0438213531262193     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.450881408384927     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.42897934177069735       0.27246146154972450      -0.64132630866301543     
  -1.2847311915684858       -9.0045863619442459E-002  0.84214153811789649     
   1.2807106116987708       -2.4634053301105179        5.1601876983314317E-002
  0.52922306000663333        1.1778492462554233        6.2891378486472443E-002
  -8.4605894239501114E-002  0.21501866720844803        2.3657754025357181E-002
  -1.1898238099700526E-002  0.88718731820672703      -0.33833272117116653     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4689678273670261       -4.1698868577207300      -0.45048883653617344     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.62827655249439585       0.62825064567065259       0.90852158006615802     
**************************************************
     Configuration num.    255
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7290569716313994E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8210017015527544        7.4384185169288770        5.9413526981989975     
   7.7592498295192778        7.5649728064830084        5.4796924362954273     
   6.0591753618321915        8.1341254621809025        5.9230401017185876     
   6.8876530614158593        7.0664770981586447        6.9502364498472327     
   4.2803003273819362        8.9401244930152171        7.1498465750595326     
   6.1887117791980755        5.7860350478012244        5.0401472207579765     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.636086103404519     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.15474360813797289       -3.9262087652663467       -9.2398034709347515E-002
   1.1802615031670145       0.57095859499217516      -0.64695219025869455     
  -1.9263763005344450        1.8208995538828048      -0.51284844140327790     
  0.25844181596511590       -8.9529646650711586E-002  0.55864077198140794     
 -0.12705306644219927       0.17397939596456946       0.10067898277937137     
  0.46071167806532631        1.4509252651205626       0.59362104509786462     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8369832846653307       -1.1449459155840163       -7.9470191718407121E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0346460290375212       -1.3904860860909503      -0.74669515522321095     
**************************************************
     Configuration num.    256
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6907453989824178E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7214307009417693        7.2132530010483586        5.9337051354615538     
   7.1598329360091411        7.6936012282124775        4.9611527610151658     
   5.8806207156883614        7.7360902603575843        6.3381092371809844     
   7.4398837173174295        6.8335433762472597        6.7237626219844548     
   4.2163870160281318        9.1942236915417013        7.3193205823304579     
   6.3118277200429809        5.6648956839646649        4.9104902204191117     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.644459002064192     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2907877775305616       -1.2581506290249693       -2.6313688708019121     
 -0.18228754319969392        9.1721775611462344E-002   2.4706307288488913     
  -1.3010885177069291       0.36437577241301389       0.31000935861333401     
 -0.48626970415276666       0.66810201436610939      -0.98574957596404966     
   8.1627783149908220E-002  -3.2146035280513116E-002  -8.1628022286928566E-003
 -0.40101169903113615       0.16417192688946297       0.84573056376787947     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.1589578657633505E-002 -0.69753043069640530       -4.1041069571862998     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.21641980158687626       0.31201190595463418      -0.18003300049054602     
**************************************************
     Configuration num.    257
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6907453989824178E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7479367762446563        7.1906923961016620        5.8503828376489224     
   7.2101715995740774        7.7778601265722385        5.0990267378602017     
   5.9043039325413478        7.7546270843093392        6.3846884525307495     
   7.4602114909997459        6.8523993325274306        6.5921437380980787     
   4.2029887348542463        9.1966257053890512        7.3818713200918165     
   6.3056010587052622        5.6564114968639378        4.8702069039138909     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.932716417612713     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1496518746843261      -0.66895422826955608       0.54618111013258386     
  0.58054738356218238       0.92196010649683979      -0.64786257259485791     
  0.17629924248591453      -0.78595002628190536      -0.79864039541009324     
  0.38964804989494178      -0.16075452186824707       0.21500188845324034     
  0.13374125601883791       -6.5363714985179719E-002  -3.0121450099649477E-002
 -0.13149014704764544       0.75964356240694964       0.71469917627573132     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.44377754043474105       -1.4631563586018412      -0.97344618162051322     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.74423723346122861       -1.9359303190665178       0.26960994767641350     
**************************************************
     Configuration num.    258
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6907453989824178E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5618685107604788        7.2721882346348385        5.9246948571453819     
   7.2308288604412132        7.9456711539240397        5.3421707222079187     
   5.6021844701399619        7.9123882200480953        6.2105678494999346     
   7.1248287091819407        6.8042581975469565        6.7055456204919901     
   4.4837670229888387        9.0038059808870372        7.2945386240176253     
   6.1574559996384064        5.7903202510937000        4.9117814773746167     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.795690754199537     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.77224216113590316       0.77117271781500085       -1.1990511085217399     
 -0.13548946266229592      -0.47345285057422148       -1.7654487737366786E-002
   1.2628604935978094       -1.2934845548729474       -2.3299815262470087E-003
  0.22113474855162898       0.11685853157888873        1.0442916314384487     
 -0.55009057046691145       0.54495285256267412       0.36561240776376236     
  -2.9795164649086995E-002  0.33374414993780310      -0.19226480484141983     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.53711842546279076       -1.0886971398633045       0.93884084990953698     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.24700812697233701       0.35190612426468099       -9.1013975044620485E-002
**************************************************
     Configuration num.    259
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6907453989824178E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6752166654019991        7.2542290655825212        5.8899012848768448     
   7.2608338927779759        7.8717555306613027        5.1502333477172808     
   5.8854881052660382        7.8780211714024189        6.4333383214905195     
   7.3305466569360407        6.8182691345904898        6.6343660302033065     
   4.3927446224763331        9.0233524875199560        7.1860071337093165     
   6.1515181669896224        5.7874943187125245        5.0366526728608347     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.898970510934305     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.77542669311429147       0.77875470798924473       -8.7621342072461486E-002
 -0.43471889985603923      -0.41045698353922183       0.65829305124054782     
  -3.6781419559028692E-003 -0.63011349604405320      -0.78635437617879966     
  0.61124797207776549       0.26514529529181097       0.40970398081115872     
 -0.30166126865035781       0.30677710813368642       0.24862946826595356     
 -0.64729512720393045      -0.30828753765155920      -0.44360970740416145     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.56720764882699204      -0.18086413785181560      -0.38733870098831230     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -8.2908029138213601E-002  0.73978352562143024       0.87146211652777261     
**************************************************
     Configuration num.    260
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6907453989824178E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6876964649771340        7.3196978031594657        5.9221844507183183     
   7.2441656204190661        7.8268198446752493        5.1684469361222769     
   5.8468511443908193        7.8074520214748171        6.4729115716731949     
   7.5065209015666792        6.8169369588928355        6.4655816627375424     
   4.3762992652659509        9.0213965444392770        7.1757753734395076     
   6.1501210026000583        5.7804525194133909        5.0484706743680707     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.762355182657529     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.98853960349500836       -2.3266211047720899        7.8054799231813285E-002
  -7.0438484686785444E-002   1.1980099913789650      -0.85772926451426390     
  0.16961504470580752        8.5487279497025698E-002 -0.18613974559072671     
 -0.30481127016866910       0.59718845998240599       0.90249214374427889     
 -0.32818003819917901       0.27068781597648228       0.23001797979780009     
 -0.45571897758946528       0.17435717646592958      -0.16568787034754529     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -8.4757815115494538E-003   9.6518544035304535E-002  0.86578905953090057     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.34155583219851487      -0.33287930958783379       -1.6942655002122962E-002
**************************************************
     Configuration num.    261
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6129360566732303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8042384254475126        7.2291968466153396        5.8696035866320360     
   7.3488884169308548        7.7436929258769052        5.0139538465228846     
   6.0246754792329043        7.7558497356937197        6.3764724125415961     
   7.6513539044437486        7.0108937277849579        6.4794734473975391     
   4.3311813984379501        9.0032474028184701        7.1644646288289016     
   6.1075366714720722        5.8225797935420465        5.1043393016634822     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.826996129408599     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7490952410694123       0.61921378502837499       -2.2149141822789518     
  -1.0740633215576632       0.25348725216790879       0.74948317577483703     
 -0.79260420559268407        1.0358172213074441       0.40703183567049639     
  0.52349901822059186      -0.86085527160413267        1.1384147848047852     
 -0.11326061244342568       0.10336379717314667       0.10822285879048413     
 -0.29211220954759093       -1.1482172298712561      -0.18821217357708789     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.33167396881846500        2.0555682525850711        7.1367225775004605E-003
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.76941136345334904       0.72463404603634363       0.84892465256729777     
**************************************************
     Configuration num.    262
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6129360566732303E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7570377877032488        7.2915936181608068        5.8572110580129495     
   7.3796073989126629        7.6662291606116479        5.0305276683788920     
   5.9447113304832770        7.9647228565778052        6.3925943087448243     
   7.6874039020885236        6.9320434527360391        6.4693171114863448     
   4.3541778002822173        8.9839846157485415        7.1520358841688969     
   6.1020199620780495        5.8147733919590454        5.1184234529929267     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.650737306897103     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2703587409841091      -0.22616879446394980       0.81189481683688525     
 -0.69823906083734921        1.0163410075244175      -0.21559847326320097     
  0.97826594890710683      -0.79168728788391096      -0.75306228973160871     
  -1.8089196406926675       0.42337889218040897        4.9591611450126118E-002
 -0.16491889886216077       0.17524608632928659       0.13868159979755354     
 -0.57655870956078714      -0.59583095100477901       -2.9712704293132067E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4756231125155455       0.42316127017018890      -0.46697542836034489     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5192712439502403      -0.32031531269394981       0.20063002081781461     
**************************************************
     Configuration num.    263
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5542923835438011E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7669982130576365        7.3145812077179935        5.8563713125037102     
   7.3581029280813341        7.6338177540540864        5.0089871050628503     
   5.9386564075922230        8.0342451661753760        6.3795042383843992     
   7.6489967457350714        6.9018589796313430        6.4691458397994968     
   4.3678920501357368        8.9726732793646828        7.1468458337557008     
   6.0923739583919012        5.8175153644551463        5.1278245378676583     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.618495316004555     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1654952376305552      -0.46373533567953540        1.0229695275105963     
 -0.15525736392666425        1.2701553807499426      -0.54058161384087744     
   1.2189619031003243       -1.1762041183305170      -0.84678943043917498     
  -1.3813737419577967       0.63889662040215711       0.18652495987306908     
 -0.18349586832385401       0.20969726856415577       0.14567435688862412     
 -0.66549365043988595      -0.47925195371202384        3.4728086635232649E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8254986033002669       -4.7513108261166621E-002 -0.20676967268297158     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.9517433876358052      -0.63849819245605499       0.16983647296487367     
**************************************************
     Configuration num.    264
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6971790701193098E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8069259946119240        7.3522332498170240        5.8963672067550545     
   7.2047054910481751        7.6900004236415809        4.9500093770774507     
   6.0442304269869220        8.1450701578524072        6.2948796671379670     
   7.4385938791875379        6.8609245539704347        6.5676812012521086     
   4.4025293543886548        8.9338620845288936        7.1277682505606839     
   6.0733441500489338        5.8293462862515311        5.1384367462076241     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.577792176721911     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9938876756452826       0.47819095459972516       -1.7246116852439979     
   1.1280214840713065       0.68906934259838803       0.11330180914976148     
  0.42162279387820256       -1.4561760226868214      -0.11962747406444699     
   1.5414874964238896       -1.0560351838059746E-002   1.2777016365790317     
 -0.36256338305999813       0.38174467367406162       0.21989750819232382     
 -0.73477175025876706       -8.1618760963452219E-002  0.23480002489257037     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7852716086828986      -0.56971548634582225       0.23638142817297092     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.48857462576524391      -0.66727168159524686       0.23117768573750899     
**************************************************
     Configuration num.    265
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6971790701193098E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7796028707706402        7.3294743621852270        5.8754728087260659     
   7.2125194287800509        7.8597959806248641        4.9795124915210645     
   6.1128250377337094        8.0813856600367249        6.2852916135607915     
   7.3693004555649075        6.9130547442593580        6.8014668103859126     
   4.4233626448970522        8.9136423703662562        7.1015129180512426     
   6.0609647997157952        5.8394227685725584        5.1431469326003842     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.539167939939489     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6491285853769240      -0.81992681448531879       0.23838291707297948     
  0.78131189093274966      -0.66419766368082611        1.0636725196512311     
  -1.4161999290550067      -0.22091277844004847       0.25439178338941226     
 -0.17235626962701833        1.0282033970867004       -2.0244156855679032     
 -0.46224947223880702       0.43663189243609557       0.30219490982619474     
 -0.37938024172338253       0.24142105506281156       0.16750545018880619     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8353095751447741      -0.97244806689009244       -2.7637826909850869     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.66191650447347583        1.6501263158994464       -1.5835785450557547     
**************************************************
     Configuration num.    266
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6971790701193098E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8201024711951748        7.2775290044652081        5.8493471150970002     
   7.3556683596596306        7.9045996287941467        5.1704670702771747     
   5.9747650267705330        7.9556346778230473        6.3051540779080471     
   7.3323970457879284        7.1561788266681754        6.7347348407686649     
   4.4207545789134732        8.8833943577010928        7.0820217544574016     
   6.0534416288151380        5.8689715089086523        5.1552326696360851     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.606867778225478     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.6462333561699207        2.0474585392191083       -3.9515257806635923E-002
  0.58829994064191382        8.1880084464477143E-002 -0.99027439677647011     
  0.48934850413060738      -0.72779193760912730      -0.98604086102415800     
   1.7905181753478601       -1.3096511369341157        1.9055365390818624     
 -0.44904817131556901       0.37236836198203704       0.30512698613788153     
  0.22929312498251495      -0.46464554480210601      -0.19466192762233778     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0621012570936381       0.48047172126194482        1.7320150795707869     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.48895560109303959      -0.71023930156014203       0.64498249525962570     
**************************************************
     Configuration num.    267
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6971790701193098E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8104835472020246        7.3426623803514550        5.8765772007635215     
   7.4239642585466719        7.8329837684808226        5.0612818469731655     
   5.8975073790009986        7.7758274064522217        6.1998985335231174     
   7.5474166586608860        7.2002809076976826        6.7847287237301064     
   4.3569571652430463        8.8559368457840044        7.0729690076249847     
   6.0972492373948795        5.8977537951706136        5.1736140199708700     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.608654974912493     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0676012344266348      -0.25789055029001406       0.22892575395691181     
 -0.84453242432536524       -7.6917233046123593E-002  0.74341169808827035     
 -0.70763439050824162        1.8351204926373281       0.60813739431032809     
  -1.3571182370889829      -0.33977531624934143       -1.4728019854433367     
 -0.45472174170093910       0.27647458883018861       0.23853297612730895     
  0.29546375399015246       -1.4377250061732163      -0.34787506535184809     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.49629495047797906        2.6451552980766775       -1.6002670358318196     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4813892608358012        1.5440684048405737       -1.3935858508072396     
**************************************************
     Configuration num.    268
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6971790701193098E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8242381753114838        7.3881596929705777        5.8816040905005496     
   7.3214858222325097        7.9436926453457728        5.0616028474284791     
   5.8575551244994113        7.8406961731326277        6.2219407146601942     
   7.5059689455617278        7.1270931194704241        6.7054173553265350     
   4.3213438596611109        8.8037901814616557        7.0839561012858789     
   6.1489488199473668        5.9229344018069954        5.1673490873291632     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.845445014804000     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.21874936391262972       0.22310886885362657      -0.30574647484537965     
  -5.8700563782771227E-002  -3.9644245706793022E-002  0.44776208234426429     
  0.75203802998752989       0.72062409368613622       0.32611732922700581     
  -6.2299170657600933E-002   6.9828889783836140E-002 -0.15882583016596699     
 -0.51681442417574774       0.29634651100499326       0.24824616174999364     
  0.10656476284722992       -1.2711612210787646      -0.55920828408265399     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.12335594785532768        1.9619388805973559      -0.19632746718436936     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.49297416377205455        1.4631618906692831      -0.40148642732825873     
**************************************************
     Configuration num.    269
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6711793382162902E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7814988482392948        7.4255721701020247        5.8010277670776640     
   7.1161821218209473        8.1253679153126477        5.0325695469207803     
   5.9873126198121200        7.9696716837755925        6.3728521050116234     
   7.4599456103373898        7.2052749518080068        6.5995562567236501     
   4.3190408847680608        8.7148329139946554        7.0918261118296897     
   6.1794474403078450        5.9553466176672032        5.1849701284782661     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.705217197855291     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.17197003056714122        1.6584421988394780       0.93254798582468301     
  0.47698097838713527      -0.22474442749643647      -0.18582346532313868     
 -0.33183542750556250      -0.23705858236936253      -0.48303073256481044     
   1.2979772801414682      -0.12898726863246815       0.20662197530840132     
 -0.67220945125482867       0.42123133270063534       0.41432917333199826     
 -0.59904776900563683       -1.4875926926718401      -0.88543674000009831     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.5532366245817313        1.8553858239586525       0.53074373003075326     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.9395187582260635E-002   1.2776875848015343       -7.5609283203145836E-003
**************************************************
     Configuration num.    270
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6711793382162902E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8265395245267495        7.5643924437236070        5.8897850680367601     
   6.9591267375025616        8.2199807365301663        5.0153009078838551     
   5.9922688377893953        7.9927197620732251        6.4272780917906029     
   7.7519885216706390        7.3964875115006636        6.5392317422773951     
   4.3031463052925920        8.6541586421288876        7.1000869834457188     
   6.1642936305678102        5.9341416651147236        5.1492533215393355     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.677795098420571     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1596794383358924       -1.2014392010465547      -0.78693035826832669     
  0.53643886552278230      -0.25979913644738895        5.0599261052782667E-002
 -0.69454622245193454       -2.3299433509404981E-002  0.72305661654548059     
 -0.97391695670893763       -7.3967693816212585E-002  -1.0591345428916985     
 -0.82888884725199807       0.46769497480941447       0.42477046840547256     
  0.80301018884609598        1.0899804806792925       0.64628154938910121     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.69250950688523927       -1.7672601119710749      -0.77803915914231403     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8253831641789824       -9.6405760494352177E-002  -2.8158342801148635     
**************************************************
     Configuration num.    271
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6711793382162902E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9144714132084708        7.5829606665386855        5.8894747328402284     
   6.9298292750027359        8.2485210358711338        5.0264520078831323     
   6.0039785916044304        7.8997731863994174        6.4377507214577774     
   7.8981558508834491        7.5345382715763574        6.3455118506535761     
   4.2673934660881994        8.6665401702242360        7.1216181302040331     
   6.1557492763874890        5.9071605020321165        5.1472441357963108     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.564101362441079     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5759519759398584      -0.80499594227285165       -1.4571037105199069     
  0.24201305273528545       -6.8927568658865651E-002 -0.42742854444910106     
  0.29672602102030632        3.8682247962508229E-002  0.75220405925495193     
  0.13807348134087510      -0.74037612317430090       0.26058307437317135     
 -0.44731530124723623       0.27450094847213308       0.23233839893895414     
   1.3462586220537149        1.2995417410827930       0.63872274410865504     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.51557265085447157       -2.1781567504340220       0.15728913916565576     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.2845058081456813      -0.83762253559376909       -1.4038702975103381     
**************************************************
     Configuration num.    272
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6711793382162902E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8973668094520120        7.5112762767261252        5.8516712599461949     
   7.0039683982615006        8.2137618569373405        5.0302260016981473     
   6.1231881172690006        7.8073102957303595        6.5738615891118739     
   8.0042833459781360        7.5437639596033241        6.1812380288503155     
   4.2565150478276426        8.7086695753970602        7.1525147506263735     
   6.1386339795787084        5.9026297974584612        5.1319065189637030     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.567574465880629     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1972990193805173      -0.54483294845027919      -0.48672753547151054     
 -0.85142565365973555       0.17306493633616685      -0.58707330805352864     
  -8.3953141974702123E-004  0.29916007031590858       0.19908363983860761     
  -1.3979008451247288       -1.2923866858951487       0.13508361035346445     
 -0.24450139556609235       0.17616998815647467       0.20212620644110840     
   1.2972060818412325        1.1875018314039099       0.53948098258362320     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3525157390965239       -1.8598755608996926        1.0746338225419441E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.7696222303447082      -0.92208068530884224      -0.92712178402418943     
**************************************************
     Configuration num.    273
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6711793382162902E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8670224227706749        7.4590207615335933        5.8405320672606518     
   7.0305981122742214        8.0772931904160856        4.9322235371973591     
   6.3034461237477588        7.7706478116293285        6.7493034309068189     
   8.0496429448812741        7.3871896041467275        6.1264831030794786     
   4.2611406531527205        8.7447418918092801        7.1632342959494517     
   6.1158287322163156        5.9214601131871865        5.1224013994227233     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.445136525481303     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.1967015062675070      -0.60614606139479332      -0.34862255793646052     
  -1.1040351173380352       0.40826376958420735       0.69833557751320463     
 -0.37697920476771074       0.31770104298178697      -0.93968936577094120     
  -2.3013935389636941      -0.87885997651355474      -0.28743426866677141     
 -0.16635125312836857       0.14587399875923432       0.21653023269854418     
  0.75249873176343618       0.61634358434353054       0.66164340927704779     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1134968949782613      -0.74610542831101712       -2.1024174230590771     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8288942007558024      -0.55689513289374304      -0.69672992647584964     
**************************************************
     Configuration num.    274
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8007279809738597E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9311176634993119        7.4172011130251549        5.8343079102282980     
   6.9933887609417269        8.0587244187417166        4.9816586296345813     
   6.3915018863328870        7.7112253805667983        6.8124598229390561     
   7.9573939600103865        7.2499989049965894        6.0466286484232628     
   4.2476660042713998        8.7505864458159888        7.1699166430730221     
   6.1122600380260019        5.9540614849352220        5.1141341435710546     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.669725432343515     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0970222699685059      -0.56535777117551922        1.0363521469168071     
 -0.71965301293249151        1.2831820526225153      -0.21368661784039839     
  0.10251449176477918       0.13487774972410813       -1.8231560081608369     
   1.3510161192758341       -1.0573519429763647       0.39865005705239598     
  -9.6377936802722219E-002  0.10572418763459909       0.18292599934856543     
  0.45982999025226129        9.8994810892629015E-002  0.41974934270901348     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.51779091747036465       0.51812258288150448       -1.9450342017626687     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3219023285178197       -1.0401624523174542       0.49912202457081989     
**************************************************
     Configuration num.    275
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8007279809738597E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8859359493003263        7.3576647537600950        5.8202248529549676     
   6.8585986373915642        8.1179063212414047        4.9309942935193378     
   6.4179706140586941        7.6116058397466269        6.7372208316932696     
   7.9423361696143671        6.9505987063196804        6.0077590320146186     
   4.2486246109864183        8.7566521660446988        7.1868345294090386     
   6.1405286987954160        6.0065082335842428        5.1205779861716199     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.537380729791948     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.1008365998376521       0.84335201285795069       -2.0086237581553732     
  0.29094030538065618      -0.56949452199829975        2.1878556772117652     
 -0.88334639782270830       0.90423308275817982       0.78424315666270072     
 -0.81878298008514194        1.1574548546416754      -0.14870443516440446     
  -8.4304124467117020E-002   8.4782282062407760E-002  0.12507712274008775     
  -1.6046318683687399       -2.4219674956415371      -0.93989203900455420     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.37325896899526662        2.0999161094302301      -0.87586424382981409     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.2261347193635888        3.0905798702493432      -0.17641341894538698     
**************************************************
     Configuration num.    276
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8007279809738597E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8930965316028754        7.3410793618270276        5.8051679960252933     
   6.8276622462297851        8.0657090223366144        4.9156008727444584     
   6.4026124292605138        7.6171371136596466        6.7134035259605946     
   7.9023227452532021        6.8695704931616461        5.9709545451159149     
   4.2510150909523423        8.7632670408214945        7.1965879619236910     
   6.1454500470879916        6.0199194241646046        5.1245020636619705     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.394627744702344     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5873575268846412        1.2118344353097037       -1.3169982616983045     
  0.64944146534084435       -4.1821927923089121E-002   1.9107671655559237     
 -0.58334607519253734       0.84377651995938463       0.63307845363326121     
 -0.11898140188680614        1.4815694728449731       0.11444029328716396     
  -6.0929266711162854E-002   6.9797178987869801E-002  0.11035353560213820     
  -2.4738540588712032       -3.5653068716063645       -1.4510737454167928     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4549105706625860        3.5774569372278164      -0.45261059959122063     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.3064108764744597        3.2901660114969813       0.45713739657313857     
**************************************************
     Configuration num.    277
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9209982447130709E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9579924040551289        7.3585785149238694        5.7380510902906874     
   6.6979923005269528        8.0570903314420015        5.0053379832392926     
   6.3554798781820443        7.7109171777723047        6.6343829613633503     
   7.8852217142024807        6.8047572604393896        5.9633999657092005     
   4.2704916009620391        8.7770378330304464        7.2291352726838607     
   6.1258649366017233        5.9979243663129891        5.1143363084490012     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.337287876071514     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.58302622423354622      -0.82437212925939640        2.7378148250244330     
   1.1722281456383381        1.8267699204929768       -1.2690657267405825     
  0.66216948596699043      -0.23433680441587484      -0.34683823567893396     
  0.63645292323240277        1.7791986180925974      -0.15135905294630797     
   1.8812226685048943E-002   5.1975623180493292E-002   5.8412525896844987E-002
  -1.9051347481409822       -2.6004122469323274       -1.0280899475606990     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.78585868872369224        3.1063889821462225       0.71917677458760743     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.0934260703858953       0.50885340753458685        1.0279377607008178     
**************************************************
     Configuration num.    278
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9209982447130709E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9922837537472136        7.3775112610570925        5.7474495247892747     
   6.9598925592394041        8.2691106773390430        5.0926945536325805     
   6.2991813712329412        7.7861108955211025        6.6138732091003902     
   8.0274158394259150        7.2991025287368085        6.0332553635292028     
   4.3139862037951122        8.7978494658789472        7.2664949907151684     
   6.0315126656136604        5.8825188051205091        5.0583690406880830     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.555505945343384     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.7453273500981794        1.3550788388003390       0.99892524661800408     
 -0.31985804740534862      -0.69540212908561327      -0.66411870460257727     
  0.90602766668346457      -0.96019884383151677       -1.0381599549590756     
  0.59204704693357701       -1.2290243265935246       0.13059220833954532     
   3.9236162073348943E-002   6.9469953627246062E-002   8.6355843010809688E-002
   1.5283019694357418        1.4599206590164604       0.48339198542062167     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0119970314118274       -3.2081616898617540       -1.0539308115229971     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0094657423261859       -1.5233426800864267       0.16196754460464710     
**************************************************
     Configuration num.    279
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9209982447130709E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8855796545975352        7.1931304013052291        5.7044671542564771     
   7.0658512842673113        7.8733844670853470        4.9746634807852086     
   6.2366100137701270        7.6752065153278268        6.5359870166434844     
   7.7961987284307241        6.9334549661672913        6.0707209225625833     
   4.5034509510936038        8.8282558342220430        7.4010153302160120     
   5.8993898049991502        6.0129933528788868        4.9562879327770357     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.550674279084202     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.3128675576367779        1.1084445021925338        2.4482462391679620     
  0.47366314502790247        2.6342976280504113       -2.2244718810863273     
  0.69629063512779232      -0.26288249092161842      -0.93929789152997589     
   2.8014648330975653       -1.7873748906279605        1.2175093005924953     
  -5.2921155158436012E-002   8.1256366953613907E-002  0.12837123149920265     
 -0.60655705781342273       -1.7723106846421168      -0.62980373945688894     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.1101621576474057        3.5763300713047248        1.3365580784631830     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.54630526192235840       -1.2294298496864502        1.5082516817517451     
**************************************************
     Configuration num.    280
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9209982447130709E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8656523354234302        7.2390520562905323        5.7628942839948936     
   7.1822875922452765        7.8090423911382425        4.9145470003212717     
   6.3408426933010826        7.7178597863891607        6.4578462330721429     
   7.8716382669892928        6.7487138663237189        6.1848351810775712     
   4.4813329594645737        8.8696697321327829        7.3811261341688565     
   5.8948503325582902        5.9793123582736181        4.9591067473837773     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.579250925481119     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.7100827942496313       -3.6915430406542278       -2.4398345638410595     
  0.23383335667673291        1.0633704329892952      -0.31927312845345823     
  -2.6079478122043804        2.2452976057499896        3.0654834946528755     
  -2.0267464985834218       0.75356649532522735      -0.59419021867457045     
  -5.6102888129199280E-002  0.10711748952857050       0.11211666515344479     
 -0.25349269247691592      -0.47905505066360321       0.17391289784288511     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.76032610680976442        1.4948482078856054        1.5314699581138158     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.11965062970725358        1.3928949292539488       -2.5169123689060982     
**************************************************
     Configuration num.    281
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9209982447130709E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9697933146873279        7.2389107748559285        5.7672813318554006     
   7.2981934440194740        7.8241164278210817        4.8673099235155313     
   6.1572085253988051        7.8405078313467635        6.5418564857934500     
   7.6933258572220984        6.6492710321340178        6.2169924669322825     
   4.4908944721151407        8.8768370293268450        7.3833655214081508     
   5.8777669064347426        5.9678740527447998        4.9476039782322694     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.599844037119741     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.0197274968403995        1.8493930984771869      -0.65975700718002750     
   6.2402841802044036E-002 -0.14332510222247954        1.0485357334466472     
   1.8079152616944631      -0.96001888789236500       -1.6627998463350395     
   1.7881639111823557      -0.90412282545837019        1.0266366438950820     
   9.6191010998974327E-002  -3.4125639153973261E-003   5.3017460580127289E-002
  0.26417267469672889       0.16015731649666309       0.19353179805690546     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1815587632662923      -0.72294058920815052       -2.1496157940602312     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.6641585771070789E-002  -1.0951641887207990        1.9326069443043166     
**************************************************
     Configuration num.    282
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0304013842367700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7855388182717462        7.4638782851769063        5.5970957537493851     
   7.5203084188568470        7.8794260271913537        4.9046247388188000     
   6.0714664201921975        8.2445136023182055        5.9459534445261433     
   7.2805955470107939        7.1767123792763536        6.5961416480762969     
   4.6049269038501288        8.6922097628632784        7.3800504230315136     
   5.8573375694666225        5.9649540979181692        5.0288209511445299     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.729057545717524     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.25101129380259279      -0.55283571720949554        1.9484960377694935     
   8.4875839835882261E-002 -0.54065640739935628      -0.54549445600239221     
 -0.34287320925665221      -0.39185594202315133      -0.36864987926788140     
 -0.40174199117753495        9.7735667955331118E-002  -1.4489479893560608     
 -0.39201688870988538       0.34097199665425604       0.39041601717694296     
  0.80029950248585835        1.0477737452462375        2.2730927837162573E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.33782689032395874       -2.0247662463113212      -0.92251097928691261     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6440283319119702       0.29603409217519033       -1.5947645618076112     
**************************************************
     Configuration num.    283
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0304013842367700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7505835106759280        7.4813128788523926        5.6593553355248778     
   7.4037361043217977        7.9627482323092620        4.8921240910046899     
   6.0296797391481585        8.2543142714744313        6.0058841855430822     
   7.1067700206271356        7.1960376490940909        6.5610791847810095     
   4.5815472779298148        8.6773769273877708        7.3571614968973273     
   5.9300384457009976        5.9611933170282416        5.0292217844139220     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.527815709452856     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3282022661454602        1.1198149263345520       -3.1426582268298358     
   9.2944483861069072E-002 -0.87873234526427635       0.45849401196358913     
 -0.66359407028507256      -0.42543618040941189      -0.54185822681440377     
   2.1482857663161186       -1.0579622305466752        2.7122013612566676     
 -0.56723198219209658       0.41872368468146443       0.55946824987863142     
  0.31646535913521234       0.82457248054760668       -4.4192342646034402E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5554472290417365       -1.5664902427619569        2.1866712044734791     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0413828968398016      -0.23649258597089426       0.43411278942630405     
**************************************************
     Configuration num.    284
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0304013842367700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6882518592425919        7.5133029842109229        5.6781419071630825     
   7.3554790093475440        7.8892934403018877        4.9116495188542979     
   5.8488219255938532        8.1922785548306845        5.9512167549287103     
   7.2175432427787634        7.1380871188014217        6.6856397789515558     
   4.5515399636780760        8.6777607622658284        7.3428709560307297     
   5.9945148376294783        5.9717967328853527        5.0270589961526717     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.653983571599611     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.89245461781028346       -1.5460328440093578        1.8595818590131883     
  0.56041658503744163       0.12240753626229969      -0.12010274115881686     
  0.20819732424285131      -0.24059068522777471       -2.0610318560269313E-003
 -0.81724111359351126        1.2013756067909089       -2.1384750836758615     
 -0.76268064172117167       0.48031535636895234       0.63818613472797592     
  -8.1720672202382258E-002  -1.9180845158826357E-002 -0.23628741599298383     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.82266967609836938      -0.41285813305276636       -1.2305709042933113     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.7806745856977569E-002   1.6942746585549062       -2.2146150212598856     
**************************************************
     Configuration num.    285
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0304013842367700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7135872342532918        7.5013282219040542        5.6845344126806454     
   7.4627089900797898        7.8401265043713195        4.9175769601497832     
   5.7852281679066646        8.0925668653709071        5.8683721274207006     
   7.1072480604866461        7.2103797604685331        6.6056082768401598     
   4.5403802316148720        8.7116431987215677        7.3502472717546947     
   6.0046121108805872        5.9506120315990119        5.0352247888405266     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.750796393566816     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.76966209005998731      -0.20311719108726592       -2.5087808679828774     
 -0.52406254578076317       -4.7619910622582001E-002  0.72318243648883263     
  0.67723630019626169       0.37788804569245332       -5.4007806610974096E-002
   1.0248509271449422      -0.19251673588163123        1.6328382988417907     
 -0.58085097031914434       0.36112181725707271       0.47399115711382528     
  0.17357077654453421      -0.29600157096377944      -0.26691280692000424     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -5.5633065193950719E-002  0.63738942000969057        1.2854981554550444     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.94314481003186346       0.64862573733620321       0.35779259786043094     
**************************************************
     Configuration num.    286
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0304013842367700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7158058985999229        7.5537091188333392        5.5993673072795360     
   7.5594624834839363        7.8183089206969401        4.9630930144591643     
   5.7789675490675121        8.0622301256508777        5.9168820198355387     
   7.0834841473157617        7.2835527970872702        6.6642677422904431     
   4.5169192736714283        8.7231533646782875        7.3554002487011969     
   6.0197926913371091        5.9189844762559218        5.0416984853567701     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.592746844078420     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.9058067675384858E-003  -2.4020429467618101        2.4610100188203026     
 -0.28813600922067922       0.42851408697447319      -0.33016476116347321     
  0.23013880263038078        1.0440458132728376      -0.74326138524291707     
   1.6364454841772270E-004  0.38571396838438149       -1.5031927660613829     
 -0.42441671559799310       0.24994724958999665       0.35466741925875578     
  0.48069245925813953       0.29406579898957519      -0.23816021149875208     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.40604924151146599      -0.10561609622198913       -1.2500025359302231     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1243091556012550       0.66495241668017724      -0.69407851851219116     
**************************************************
     Configuration num.    287
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9947702869116062E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7008283861419278        7.4828886390858473        5.8131386966793732     
   7.5489491348948032        7.8478973536271281        5.3124291350303636     
   5.9500974470843575        8.1729984431677369        6.0402809591881832     
   7.0377599260663670        7.3175411866834938        6.8276559327831245     
   4.3943555741336136        8.6993135617830522        7.2330711658167202     
   6.1344677944069144        5.9471467404964304        5.0198338142642189     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.603709399090118     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1026243581504893       -1.9390725553485866       0.42294362690682608     
   1.1695543135878432       0.56783195811768572       -1.3334268128972782     
  -2.0261714963466204        1.2488321425087356      -0.53261715280680999     
  0.23237890215625512      -0.96205147372526589       0.56348777141513540     
 -0.68491080153983885       0.43434301905098760       0.51951998782023368     
  0.20645498151874223       0.65044779835968591       0.36173095730906391     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.1842914232635446       0.23150327447995947       0.95301440438537421     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9633972960810908      -0.82144090054277119       -1.7853952421526882     
**************************************************
     Configuration num.    288
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9947702869116062E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7386192696943441        7.4094461876244928        5.8323601914890535     
   7.6578105764561091        7.9548865050561881        5.3463341026337199     
   5.8229529107710229        8.1401528944199715        5.9735871116285848     
   6.9591049028182876        7.2105855678057509        6.8947301596015347     
   4.3819349466456785        8.6706188853706170        7.2104848899164686     
   6.1450224632919745        6.0044247624448781        5.0320398469803180     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.613099472429212     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.50243880210288694        3.0762553276342444       0.53392285486572022     
  -1.4116514534096103       -1.2318768059140977       0.43697774576155890     
   1.3267573753858615      -0.84448377518888929      -0.40354794916922127     
  0.22822726256366679      -0.32901123668847365      -0.25909424481198168     
 -0.68223854022633890       0.40543706122487083       0.42419539470140410     
   3.6439208951405122E-002  -1.0780109488034830      -0.72983441594456422     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2848137768397969       0.32121323653013073       0.12100612522717773     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.66940059160638721        1.4246135407346927       0.14122070210509277     
**************************************************
     Configuration num.    289
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9947702869116062E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7980228833713356        7.4570669158108851        5.8604536684804902     
   7.6297326474474252        7.8499627373239313        5.3800894765924978     
   5.9085097609992792        7.9949828785514487        5.8069319563912396     
   6.9426188894461136        7.0249438648003144        6.8694987110430832     
   4.3649149025415417        8.6952603618910178        7.2118552581925064     
   6.1372923188291679        6.0128120671327814        5.0389930103434635     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.539744281475127     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.69967640090251360       -2.7595901954570587        1.3283461581647549     
   1.8148032215719825       0.63524939515183654      -0.98285679887585020     
  -1.2079401833827856        2.0363813701842872       0.61173989415551544     
  0.29191005419946581       0.96285351386327489      -0.19866958550712965     
 -0.48742510893933316       0.28223766164198383       0.28726750273046142     
  0.28700382050528439       -1.1563358990116122       -1.0443227397906327     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7762031381760672        2.2731771784718182       0.88978204662092097     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.96614549429850372        1.7328672919557557       -1.2837065941307897     
**************************************************
     Configuration num.    290
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9947702869116062E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8173386651689745        7.3693572870526420        5.8830319532620114     
   7.6783225286711181        7.8102910259288931        5.2527246877374214     
   5.9340568284456507        8.1572639387066026        5.7949249063761199     
   7.0476067142359291        7.2189390607965480        6.9463159337927012     
   4.3427897772045441        8.6915342643964539        7.2074000103977429     
   6.1326636871072155        6.0105319640798545        5.0428567901657404     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.638353738215983     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.42209479726135668        3.2647537993009870       -1.5116248376550478     
 -0.72480203167035784      -0.86054050276368177        1.0275220000086103     
   1.5837647551544807       -1.1279190680045592       0.85435100287345456     
  -2.0984337954441976E-002 -0.24801107774770842      -0.27761427485451834     
 -0.40740881184444278       0.27576266212469236       0.20585101347980281     
  -6.3924508013105674E-003  -1.3053226162729978      -0.29773542188952190     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4218108077121621       0.42419147856715883      -0.92050017602799739     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.39588356304367706        1.6849632398582834      -0.21427784903381739     
**************************************************
     Configuration num.    291
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9947702869116062E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7474349649342420        7.3782629245790403        5.9842482794325402     
   7.3870255997891450        8.0292819674643194        5.4086568768737306     
   5.8977493207523004        7.9581877063044280        6.5564338540149167     
   7.5244690651634256        6.8766707539324274        6.5541142253553266     
   4.2735537384870215        8.7352094411794923        7.2868800419231317     
   6.2087420716378077        6.0002093605231730        4.8698256626263339     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.742023484328005     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.15344016690640000      -0.36175727268798574        8.0892600695032138E-002
 -0.12660356294342476       0.70426787324013640      -0.94470363746090680     
  0.64539919203164298       -1.0843266497241575      -0.73782535945298700     
 -0.16341616255250527      -0.31133529672919230       0.99234959217101437     
 -0.42894236666930069       0.33659258689289817       0.29842889850814375     
  -8.1192951228581917E-002  0.71593117206241330       0.30845969996424488     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.19517968257329305      -0.94786759217153060       0.20906480312085610     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.2837609180256238E-002  -1.4622823340464199       -9.5500790098193275E-002
**************************************************
     Configuration num.    292
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0188822581650182E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6381106632094244        7.4096547896204799        5.9214893018349830     
   7.2212171886987138        8.1799197915990973        5.4095250378630126     
   5.7364104420967106        7.7476498295733798        6.4700376329414331     
   7.3733044180083303        6.9271928176761506        6.6824151758604309     
   4.3432709691520675        8.6821597386560683        7.2334060376150049     
   6.2300281957134365        6.0436819966318325        4.9397356954296683     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.623940023028805     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5123683961701460       -1.0545269554737757        2.1226837200202215     
 -0.26719017083235286       0.11173707185739731      -0.42289573737927699     
  0.13862812737878707       0.31082325080696899      -0.25405494040012977     
 -0.88840790066496134       0.98048872529824072      -0.71836215067804088     
  -1.0976673478418193       0.65063497657851199       0.66990971751190642     
 -0.39643186536270525      -0.99851976133626963       -1.3964882646263801     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1201779828649454        1.3316958844346678        1.1930984264608349     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.51918306118714608        2.4727072745396841       -1.3747200908859654     
**************************************************
     Configuration num.    293
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.0188822581650182E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6499807062926006        7.4312005793882809        5.9734259293293182     
   7.2383985972176657        8.2439362480346290        5.4409585234109690     
   5.7062367269248195        7.7673418431452612        6.5676007855161105     
   7.3402287744364916        6.9127237479664814        6.6380919639512239     
   4.3491226287455209        8.6807541710966944        7.2241481785972246     
   6.2253527613597957        6.0299761749690806        4.9218448071570045     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.590282354977031     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.85141710972209017      -0.18030428368469884       0.24553676888080334     
 -0.86301470032054017      -0.80666965740827989       0.14638212774939835     
   1.0627184459288856      -0.10725321698929477      -0.99487802380856549     
  0.40216892637500223       0.28340598570960046       0.52439496154039211     
  -1.2925837539458176       0.75502837565397840       0.76893452761834735     
 -0.15944152099859671        5.7492703764006670E-002 -0.68997165843809627     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1856414619045517      -0.40911702062252220       0.81197334965496770     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.7721475083742626        1.3076751116519525       -7.1505097783306812E-002
**************************************************
     Configuration num.    294
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1806763018940378E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9458059679555522        7.1040723715875940        6.3730844516606417     
   7.8962472514321922        7.4622420969358760        6.1400539740968991     
   6.0308491306525775        7.9200783126986467        6.5948073179192663     
   7.0074192846902124        6.2055205461149132        7.0285650787070395     
   3.9914343093928148        8.6759047259865731        6.9931041089823776     
   6.4095222391301911        6.2964051884508976        4.8914893082416508     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.616532535728769     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.4473600726459490       -3.5636632104908882E-002  0.80321707493859096     
   1.7955670549824729        1.0432250751447436       -9.1239007039593159E-002
   1.9036424732931074       -1.6768646416845465       0.11218059531004981     
  -3.3880281562584671E-002   1.0195394742999611       0.45805517667947748     
   8.6532502378331058E-002   6.6309955632383150E-002   1.4794469662751339E-002
 -0.30588128346522914      -0.41898814308804339       -1.3001458055153257     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.63081563581774858       -1.8128683116259239        1.6440510083636375     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.4225480770641901       0.64847224157227701       0.47454364389332832     
**************************************************
     Configuration num.    295
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1806763018940378E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9182253141672474        7.0492923440100519        6.3694708271960803     
   8.0253526050974084        7.4578660142125210        6.2012992337803290     
   6.2280807071133060        7.7374590983131535        6.5734524813237032     
   7.0085542623447035        6.2899627478041777        7.1698594726223162     
   3.9860616632634431        8.6810816590126123        6.9912296360574508     
   6.3872916810604714        6.3213575898369578        4.8741457735348206     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.626446519377392     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   5.4158061267666620       -2.3307178742684935      -0.54552935523367574     
  -2.1683657147361801      -0.47326725029905647       0.32341524882257977     
  -2.8769431749853402        3.3142144942142862        1.2616833940288656     
 -0.25001146437645294       0.11190526741100643      -0.26409241402070205     
  -1.3081533062497269E-002   5.7258067199457398E-002   5.8079979954187580E-002
 -0.11126852443618256      -0.67855456536107228      -0.83468738830347955     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.84577804689026603        1.9063044232737609       0.69875069969549242     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.3816585750936818        1.7389999912449516      -0.22413627281659107     
**************************************************
     Configuration num.    296
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1806763018940378E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   7.0351310063397623        6.9682249364897730        6.4207279178230490     
   7.9641820274929209        7.4529110084946915        6.2374478600344228     
   6.2649768236564896        7.8586793510707080        6.5831852138907054     
   6.9301217029288020        6.3515742911217492        7.2849106301621909     
   3.9875719640964022        8.6721202534010455        6.9898907836606261     
   6.3577632664776127        6.3377145182617403        4.8399621318982931     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.664967316359707     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.1230539927582592        2.9225300246521453       -1.0654461907191837     
   1.2481040026178487      -0.12652157984542686      -0.14666212365219594     
   1.0108142533809574       -1.4006159816389494       0.13487757791019589     
  0.14442878643221230       -1.0803286203649667       0.32112602076137026     
   8.5163069658043114E-002   5.2270762297534835E-002   4.6095815620306325E-002
  0.63532863392092609      -0.36829611143732838       0.71080700747827219     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.83187355289211140      -0.76039469128859871       -1.2057750271559826     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0841185602747181      -0.49481719796648010      -0.81463048347180655     
**************************************************
     Configuration num.    297
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1806763018940378E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9792253305546632        7.0486841370782436        6.4071813462027363     
   7.9583501942004204        7.5708480482420830        6.1435561708704576     
   6.3569785914454808        7.8778462161774314        6.6511240076312186     
   6.8433945499731133        6.2001962539022459        7.1865769781026581     
   4.0061841778611775        8.6589342122171296        6.9975105967088504     
   6.3581540128485523        6.3252525485916653        4.8509543985517443     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.672333721970290     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.75351646741831357      -0.99822493604438334      -0.38309799044299075     
 -0.45388653906455018       -1.4411545621717274       0.68412879398459736     
  -1.4568908248871792       0.61204884149761707       0.35894994600944580     
  0.94023592284616764        1.5251265213010772       -1.0469669345574233     
  -3.7765963915689076E-003   9.4626237241059175E-002   8.2647047734246415E-002
  0.21962990417763117       0.20844529619597882       0.30512117012833007     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.33069764490228687       -1.8866783157277387       -1.7077186229271848     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1953966574865698        1.3141815400307300       0.15364730392051326     
**************************************************
     Configuration num.    298
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1806763018940378E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9315715706032019        7.0892818011146383        6.3067705287487561     
   7.8102089803338011        7.5569005819762776        6.0113898593962363     
   6.1996915718389607        7.9294789963824721        6.7381104296040135     
   7.0131775278014441        6.2970803083714415        6.9328039190537947     
   3.9970789505968876        8.6635038732758165        7.0314881084425336     
   6.3987079280477497        6.2917460975187387        4.8847242177249237     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.504567947904434     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4387081014909398        3.3933985156844111       0.15276433779145410     
   2.1819107416888079       0.81711271031526189       -2.5927113851473144E-002
  0.59757723232904336       -1.7018876696446041      -0.98039938335107590     
  0.77855467479302742       -2.0089521655211384        2.7320332663931985     
  -8.8867430102979386E-004  0.11127767129002060        9.4772914599212582E-002
  -1.1202100639583052      -0.61279154378328049       -1.9762963620173686     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4478145131385849       0.62891647702284870        3.3741506856570447     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6712153210087493       -1.1763776873817853        1.5850041984994416     
**************************************************
     Configuration num.    299
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1481290255764792E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8689357118627132        7.1749446369639349        6.2526580767897517     
   7.8520532489401438        7.5936833210264565        5.8083578524836641     
   6.2264394146034112        7.9232911908367889        6.7104443061117776     
   7.2684666847853396        6.3368684471457675        7.0312151994677139     
   3.9880413995730839        8.6652205747340094        7.0696896167775103     
   6.3924236226958788        6.2530669779153634        4.8797806018233985     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.482299752181685     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.6264192106591029       -1.5226060026870654        1.3824461958908136     
  -1.1719010775109551       0.12887170757138011        1.2418366498662259     
 -0.95029049860119708        4.4963270830996722E-002 -0.23030354215258569     
  -1.0353431683960905        2.0072157607820054       -1.2050303686771571     
  -2.9124177116123990E-002  0.10825140536657053        9.0917466434556726E-002
  -1.4398944978592043      -0.76848794740445003       -1.2811334006139883     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.66175012410579548       -1.1128362332484063      -0.23043212061325399     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.89831176929439782        2.4519999720359027        1.1582613431761175     
**************************************************
     Configuration num.    300
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1481290255764792E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9745445104969841        7.0578975626267786        6.2940808095921934     
   7.9465007650994322        7.5636852809561681        6.1139233764982697     
   6.3556403560233905        7.8850705823845360        6.6958212100991510     
   7.1649366876805107        6.3819318367456672        7.1600420001788656     
   4.0327646427545769        8.6375461838155427        7.0427672702168955     
   6.2983691205999355        6.3230078468626063        4.8453088390408645     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.828639040571492     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0704592004470961        1.1080593835441861        1.4044494767199249     
  -7.1508611764783792E-002 -0.46473932386859818      -0.54360039051351583     
 -0.73484606182174961      -0.39475346325879734      -0.40046220896476070     
 -0.37667050263406832      -0.26988333021139194      -0.73966147026512752     
  -2.1859078025465762E-002  0.10994590856614779        9.3525909827005982E-002
  0.13402434022342027       -8.6467330333458658E-002  0.18701316841425078     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.26082344112771472      -0.60220135851540357       -1.3120072089626376     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.46443861382355112      -0.10468285728121766      -0.73892231730666469     
**************************************************
     Configuration num.    301
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1481290255764792E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8914209767473569        6.8574459040983857        6.4364029854917204     
   7.7533112047057910        7.6703780604590310        6.1931042286035369     
   6.0274315443963600        7.3868755756354592        6.9651466755558058     
   7.3014302693665778        5.8508473290681486        6.7300805609335939     
   4.0600999752086517        8.7534682205494363        7.1504036537943341     
   6.3426219732135598        6.3790873843334186        4.6986458239231954     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.642852750753715     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4401797307631392        1.1517314581763218       -1.7391630020421940     
  -1.6940053096528873       -1.9078250667360366       0.83637570863977151     
  0.46710258223869194      -0.74779702125044967      -0.40940637805008029     
 -0.32437993185009456        1.1874971211675205       0.51754695575169618     
  0.10571152586838915       -3.5198090331255247E-002   9.4178337938823964E-002
   5.6190794410716713E-003  0.35166142359448016       0.70147682138265455     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6253718821171708       -3.5672235008697442       -1.7673429232458593     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.54748340321828981      -0.22638228194120560       0.59553419174393418     
**************************************************
     Configuration num.    302
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1481290255764792E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8674441697566886        6.8710058075124714        6.3742537249213154     
   7.7316432313971299        7.3160732719287713        6.1046293291506402     
   6.0153267750435253        7.2764765224691841        6.9430670078469134     
   7.2403479965574311        5.9377968691705298        6.7186968958865716     
   4.0899894731229285        8.7728065160890996        7.1619842430290719     
   6.3315575533081274        6.3977754675619831        4.7218783026247797     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.542619328280580     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2927437950722975       -2.1760204800190821      -0.43943886167483004     
   2.6571702768656138        2.9107123018950856       -8.4752945038308339E-002
  0.24381628097505181       0.68140412316983423      -0.11243875030321170     
  -1.6740512286485917E-002  -1.2554123572899030        1.1035452881892205     
   2.2230154917176715E-002  -3.8516942678184389E-002  0.10038812701324887     
 -0.61429108917481878      -0.12349029086173355      -0.56783888963738738     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6015901712982930        2.0116003887047147       0.78136197322278123     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5110212030282841      -0.61648042478590170       0.44120466352272136     
**************************************************
     Configuration num.    303
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1481290255764792E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8415431716661139        6.8095380450023910        6.2788679877581064     
   7.8675906787282006        7.3554679135503651        6.1209147695420585     
   6.0164613199281938        7.3113336286950901        6.8526536562566323     
   7.0887396843097994        5.8775845278847356        6.8271125818174996     
   4.1109454730095125        8.7783520624530311        7.1503623683397644     
   6.3210154018460312        6.4114703710686323        4.7619470503611945     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.631627202994878     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5053175503501124       0.69755182848855979        2.8397492584748441     
  -1.8258482677873986      -0.35418065547478295       0.85667134387755262     
  0.61188280019169938       0.50431696845367036      -0.33755164532454329     
   3.9200876134802942E-002  0.13445854833179885       -2.3577055406204167E-002
   1.1911450149410906E-002  -3.1824942673432423E-002   8.0005207279215812E-002
  -1.3413388493314571      -0.95006832193411783       -3.4169670793666702     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0744657417529972      -0.24258586628393539        4.1025454515425519     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.13784642409005060        1.6817834779262608        2.5231324150751497     
**************************************************
     Configuration num.    304
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9206526819829304E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8114418841954230        6.8042426674718293        6.4183456920694928     
   7.4498796709441271        7.7208387864379358        6.5312984177846829     
   5.9735903670513855        7.1646421499460651        7.0788520479352730     
   7.2849887092122074        5.7914988544351367        6.9479896002799952     
   4.1961033009203144        8.7736013879494390        7.0704342145527619     
   6.2758789630093395        6.4030551046578834        4.7091613875453966     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.503400961992153     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.54216187930456750       -1.5224759374306791        1.9935908321708633     
  0.23237727513013740      -0.92107542590036517      -0.89236057442011985     
 -0.37820815045069689      -0.56300882482383052      -0.94768019080129406     
 -0.84220072938361124        2.5052647378756623       -1.5358121363588046     
  -4.4993393209576654E-002   7.6957228628422622E-002  0.14290070704070795     
  0.49030692905718787       0.42431734395694598        1.2399575791638877     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.57499572034849755       -3.7728467771888456       -3.7657750196541597     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.59915641793033803       0.14551548929661756       -1.4059999838358728     
**************************************************
     Configuration num.    305
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9206526819829304E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8212117319485621        6.7765045421500769        6.3915751217529024     
   7.3987478017250545        7.6698264157067140        6.2542636889132961     
   5.8246009744459988        6.8425185215361966        6.9554567211088969     
   7.5902172824566163        6.0378270824791604        6.9149560728498534     
   4.2133509812479870        8.7509734459783211        7.0978807730227356     
   6.2434626118486571        6.4493874921661289        4.7396900540940159     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.581916678650941     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.10287436222415758       -1.4864574972276010        1.5094170152861377     
 -0.12572988623726872        1.0284324599504706       0.47936786811123083     
   1.5029981863078770       0.63388218354304016      -0.21596892057003056     
  -1.5529933925589046       0.59210707737705082       -1.4247214210506951     
  -8.9651427537797035E-002   9.6228501356902633E-003  0.10643031776222248     
  0.36963089331661492      -0.77844684966021449      -0.45461840931110542     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.0465338311950352       0.27216429744831766      -0.55421729538943476     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.77712217057917099        1.6635305799730147      -0.55436023728553496     
**************************************************
     Configuration num.    306
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9206526819829304E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4869223286389897        7.0982209170657145        6.5106878675452196     
   6.4456763949675429        8.1892649449573192        6.4702799663843855     
   5.6364606817005072        6.5966117111308700        6.7669895369941298     
   7.4656407657154391        6.8782018890279186        7.0542554408498281     
   3.8794191242704512        8.5208210606444101        7.0048710600130297     
   6.8334603275159589        6.4448697090886755        4.7735212198683143     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.662947188966200     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.6341093853450124       0.85825485761484432       -1.3766405877628833     
 -0.70763570251798580      -0.15013894500511363      -0.28026582830282326     
  -2.2901616043860589      -0.99712517916789090        1.1266418980793240     
  -1.2379738763270733      -0.30945506045232896      -0.22718989586927560     
 -0.36653997917809367       0.21132133361534808       0.15775580851454918     
  -3.2673782721447026E-002  0.38998563776593409       0.60037049254369756     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1055411640718835       -9.7367764696774342E-002  -1.2180193700749500     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.14340420217813910      -0.92919941441355847       -1.2239947944105070     
**************************************************
     Configuration num.    307
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9206526819829304E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6223146967420954        7.1530038305364831        6.4601365200979366     
   6.3126802509701232        8.2236197011647842        6.3457493351485708     
   5.6748171740435058        6.6322197503187974        6.9568583024146138     
   7.4234226762087863        6.9262001072628525        7.1052359896704145     
   3.8855990233831856        8.4747691619992889        6.9429333132985480     
   6.7968523470379782        6.4590528906091871        4.8394613782875391     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.700510713683116     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.6697333045682821      -0.34348260615382659       0.45960181610657036     
  0.39060802494536795      -0.75812259174560359       0.30324071435365474     
   1.6234792811794934        1.1771401326298836       -1.0791851535697643     
   1.6629352626617897       -6.3831533548800043E-002  0.53718033976442281     
 -0.41794740977733974       0.24587316345346263       0.12754733727596956     
  0.41011797256181615      -0.26041148272386677      -0.34679886875831983     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.37411110044392026       -1.3181907506236283      -0.10664697648596663     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5048604421210938        1.0702261431437292       0.89955888173310472     
**************************************************
     Configuration num.    308
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9206526819829304E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6078659791053029        7.1833010258040764        6.4950936912718014     
   6.2139171025107087        8.1578730093923184        6.3086300941456575     
   5.8232048421195168        6.7910399807951380        7.0076841043712301     
   7.5113671486736688        6.9846410592287622        7.1502824588666654     
   3.8466266782431831        8.4232381168781032        6.9102634882018421     
   6.8251984427550720        6.4832249654023810        4.8536593475872998     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.616475780231216     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.9443413030568268        8.2351144714839716E-003 -0.59830826122514891     
  0.42546179479933594        1.3102676432617575       0.17712577053565026     
  -2.6901746417902133       -1.9243668704031687        1.0908864180874080     
 -0.39942593460694809       0.74930347070792269      -0.96673518032172467     
 -0.38226471309418308       0.21747894560694345       0.11056872399332483     
  0.10128792508106355      -0.36023080116812223       0.18589987993530743     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9984482909611569        1.7001351883783469      -0.84282431611049946     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.92375131813079980       -5.7766874322746943E-002  -1.8611246447588161     
**************************************************
     Configuration num.    309
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7546207804114069E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6054524144166935        7.1963509216175598        6.5683541064910251     
   6.2611061862325332        8.2923605656691652        6.3343206592962806     
   5.7175917609040647        6.6711426515587986        6.9623204214913770     
   7.6589533944427259        7.2226360705554118        7.0949049983987216     
   3.8138645199826464        8.4002184075642159        6.9082875584341030     
   6.8487185152223926        6.4733255070270923        4.8392832469370388     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.623570358435472     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1522347037766123        1.9446587863624245       -1.2003856366760197     
  0.46809749809622392       -1.9360856036174336       0.60342704617298237     
  0.61289059675399093       0.14970420823250191       0.30226712672589667     
  -2.0066653684924773      -0.51367588878846604      -0.71048744793082441     
 -0.37564603393026164       0.17099759862625064       0.11738268941153510     
  0.15056247705628317       0.18406433755145879       0.88793759798331262     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0139005406859143       -2.4544171746357115       -2.2294895399744452     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.38259161541010944       -3.3810142473841447E-002  -1.1904877814140433     
**************************************************
     Configuration num.    310
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7546207804114069E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6025608031842937        7.2060541420537279        6.4865490139412243     
   6.2445114109320530        8.3003660363222540        6.5667897228907508     
   5.9521882628334986        6.5491048889210148        7.0685976702210409     
   7.6357467038349922        7.1607920414932797        7.0030494522822586     
   3.7940570180272286        8.3584688964093026        6.8945537558653092     
   6.8475278223403508        6.5316310191841369        4.8528759585342627     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.731874713750354     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9405569334659472        1.0857852849248062        1.5948028018339548     
   5.0025971592312549E-002  -1.7201533029626872      -0.68641524835965750     
 -0.36455322168185900       0.16282297544617766      -0.27893436551736889     
  -1.0639719053373644        1.5645210464988589E-002 -0.69034210475032842     
 -0.39193475371051539       0.21173546308856500       0.12667778711273264     
 -0.17058369762739534       0.24470810864974518       -6.5859236468238991E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.25367415070660726       -2.2540337760440954      -0.86150760915820357     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   9.2828084330088684E-003 -0.32903559692966106      -0.57078029919770723     
**************************************************
     Configuration num.    311
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7546207804114069E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6112627793454273        7.1304950813171590        6.5106189297417325     
   6.0538298860376933        8.0585071023241444        6.4514853568059554     
   5.8633873437527919        6.5956859912767980        6.9580510216553151     
   7.4784017487108692        7.3856627821530667        7.0659744708850729     
   3.8017981517695780        8.3384809369183834        6.8239896158767541     
   6.8861238155188653        6.5738785404169962        4.9336677301904048     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.543133130056276     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.24863983626487438        2.4701620235749848      -0.16817190300847451     
 -0.24126202657670273       0.72581766023546312      -0.34979250299159215     
  -1.5195409011854797       -2.0932221679328307        1.6243198273774675     
   1.2773680184709524      -0.46372890960778740       0.68843728144646987     
 -0.48086769810565305       0.21647141644016685       0.11230892826615026     
  0.71785400659890297      -0.85421385042386910       -1.9047538286425056     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.1628360957588177        1.6941333151891416        3.3537136470534401     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.5190366545099762E-002  0.17379907897663524       -1.1374898280856194     
**************************************************
     Configuration num.    312
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7546207804114069E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4974234669821289        7.1654205755720310        6.5598898433473938     
   5.8790119100417204        8.0122156402301137        6.2736024001899064     
   5.7310985069111711        6.3863185887241114        7.0519128328412437     
   7.4543437420771843        7.4081466964297684        7.0972003160443551     
   3.8297889038108988        8.3494443181934219        6.7971792377666542     
   6.9340641062293740        6.5773909352394613        4.9497424373492684     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.557674668546952     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.68271334830286290       -1.3550334640528736       0.81927495344018630     
 -0.11581153582737204       0.47676922913965836       0.77669624361133260     
   1.9394172340361358        1.6511632343962732      -0.73986105473987340     
 -0.87713504529030495      -0.33383345066934644       -6.3535692212162903E-002
 -0.87716861311031702       0.37673190871691620       0.12363769898073643     
  0.61458971128338469      -0.81721802708088687      -0.91613823850259513     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -6.8714242498626357E-002 -0.52443562330301408       0.34007452263398996     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.9569813626872814        1.7508818501516061      -0.62154376585251458     
**************************************************
     Configuration num.    313
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7546207804114069E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3812396977443813        7.1658584587285201        6.6265946313635160     
   5.7529730328096598        8.0249578099126335        6.2982713175576821     
   5.6748150048447972        6.4743934000713823        6.9751977020837792     
   7.3434935753470567        7.4096380211619239        7.0366738047726489     
   3.8197584457853133        8.3602321833386188        6.7815381226097662     
   7.0165333828719714        6.5549117424875609        4.9554859328345886     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.486241450880016     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1049780914640956        1.3677256727363416       -3.1051035460344045     
  0.57125048153642233      -0.14281362963114069       0.51071682942355134     
 -0.46565486114459737       -1.3532899820155637       0.99394820119318805     
  0.14983257053967122       -6.0609155269596759E-002   1.2098889711560887     
  -1.2075745943017913       0.50855751526141613       0.19876274837885358     
 -0.15246237831781217      -0.32087355985391708       0.19268088226977628     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4667641539036271       0.96564555384050410      -0.15993841994328262     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.45245134571527257       0.14679004011891494      -0.18696557519104925     
**************************************************
     Configuration num.    314
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8581032841083354E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3499809133582135        7.1911958828376656        6.5291915685674002     
   5.7180128906890451        8.0991077878374735        6.3837612847726959     
   5.5637442958908059        6.4651677546698272        6.9669320074888397     
   7.2249418367888882        7.3878945433391001        7.2073723297289458     
   3.7658186528052418        8.3748469667591561        6.7688540532670070     
   7.1109148766331707        6.5268410817145632        4.9731968545435397     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.661525710503607     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.18732467057476127      -0.78335722914193073       0.78116574453221521     
  0.54444368387664976      -0.27194169225123310      -0.51938051971577170     
   1.4757990499294666       0.65716121462710930      -0.74196350536548228     
 -0.66286972097638941      -0.31950189351474079      -0.30344063098058460     
  -1.1355086508908521       0.51409033081620537       0.23294201371771794     
 -0.41158164884136966       0.20486365507135226       0.54899130476474944     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.13447884431893431      -0.78356863951737898       -1.6577991155690559     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6220061781571953       -8.6862991140347068E-002  0.46456900678898305     
**************************************************
     Configuration num.    315
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8581032841083354E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7458256033557511        7.3272968167322308        6.5023716531934177     
   6.4345027319089692        8.4129727787638959        6.0664855378652875     
   5.8142414636305730        7.0438741429422995        6.8540900856182088     
   7.4837183558509990        7.4868400307733873        7.1320920040922866     
   3.7075244027828913        8.5915811452667974        6.6353105387524307     
   6.8968049666790048        6.1521294179859218        5.1728483424656044     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.275091190171683     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.8122324904573333        2.7719344164918160       -5.0585404887759715     
  0.76254772991450115       -2.2804417802136179       0.53956249429571268     
  -1.8055251012452271      -0.38680949853182428        1.6894863208553110     
   4.0515071369092439       -9.2676854548679855E-002   3.0310993856296902     
 -0.11917616175975458        8.2282508832721826E-002   4.7072817364839953E-002
  0.92208980901714088       -9.4617179184837086E-002 -0.24891279052042692     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.0679961275969649       -2.4705603227942374        1.8722674775911061     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.69725912954326652       0.86138754508245896       0.32098560608193238     
**************************************************
     Configuration num.    316
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8581032841083354E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6947662059178992        7.4016873825363092        6.3786045843777499     
   6.4001625616202373        8.3080611618588520        6.0806995164994770     
   5.7739766473367169        7.0082962244132325        6.9449120274375105     
   7.5920740177326715        7.4509933458815025        7.2382767121261837     
   3.6963954739107265        8.5896403607678291        6.5990763660907517     
   6.9214241988098424        6.1487628884474681        5.2271820765070105     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.290172084907002     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0266459058152442       -3.9536328994586940        5.9345874164238683     
 -0.84475287485299744        3.6424651492557039       -1.8745973749129390     
   1.0798646768987474       0.92734511366683603      -0.36538885751728623     
  -1.8570309078604856       -7.8527464649675069E-002  -2.3409222779499754     
 -0.15557961547241839        9.4193418462060863E-002   4.1188460507473691E-002
  0.75140858296068469      -0.63272923071892728       -1.3948203312462863     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0539379435189220        3.0636177349154581      -0.53762543513456895     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.2070792637771293       0.12287397338092347       -1.5014887299468733     
**************************************************
     Configuration num.    317
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8581032841083354E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5890424495861959        7.3952744683412970        6.5311239761095443     
   6.2892443930448048        8.3062452025461351        6.2325759440138029     
   5.7229065451864738        7.0831888273881685        7.2562896308587703     
   7.6981732799368041        7.3717113690722096        7.0104920694210540     
   3.7098976525322591        8.5405268384504893        6.5580994216626811     
   6.9500455096359257        6.2007491393063816        5.1899205653174345     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.384508588240351     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8600590592615065       -4.3210157615172111        3.3664903189939119     
 -0.86560320190134910        3.3270078808523755       -1.8094834573962109     
   1.5423445617601126       -2.6396651878707537E-002  -1.3316121767249511     
  -2.5705280423680019       0.49931551731314017      -0.41730907188739141     
 -0.26448042272458960       0.14162302191977488        7.3954524547428818E-002
 -0.70219912626496739       0.38022623668878447       0.11618364630701430     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.5623631949296075        2.0361528202144510       -1.2323127223287009     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.59949673014365268       -1.1842202013998799        1.0064285864371121     
**************************************************
     Configuration num.    318
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8581032841083354E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7562122996393610        7.3331399538402833        6.7757008302508632     
   6.2541761800378870        8.1357570739014005        6.1659290882267692     
   5.9211368713821839        6.8009025163765324        7.3166488577148696     
   7.6640483394111500        7.5872924209355839        7.2496656173576577     
   3.6306163419676589        8.4321002382024979        6.5304203069476667     
   6.9581332467471890        6.3569875243072547        5.1084648742017968     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.466731915278618     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.2128533598667524      -0.38503322673974283       -3.0887739501730476     
  0.31654613655067115        4.3226552163819251E-002   1.5855334525679003     
   1.0687038784758451       0.46832638031610480      -0.27157420475123512     
   1.2845214659782789       -6.3202721067815118E-002  0.48788182852462364     
  -5.7951944765779848E-002   5.3914969292510759E-002   4.7934292763782048E-002
  0.59928495024033790      -0.11750924394293916        1.2385908632324216     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.7407297622173890E-002 -0.53058481298951043       -3.2701726621528433     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.57339023032874081       0.33470939630895141        1.4827831757079319E-002
**************************************************
     Configuration num.    319
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6948620090962694E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2219709106201080        7.0038735490740258        6.6582149879283019     
   5.4143445085476962        7.6444625805840491        6.3241957943853420     
   6.0303022617934801        6.6477539407625157        7.5884016861202372     
   6.9308224056848688        7.7920763675300826        6.5800551575271369     
   4.0642316964589114        9.0471728034619918        6.2342725008204845     
   6.8706759658387275        5.9030707223680379        5.4714472543622668     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.436492015021262     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0081859129680213        1.7518424516851319       -2.5725970425852251     
  -1.4033877252250981      -0.50014250058087639      -0.65917836358383075     
 -0.22581323931413411       -1.5220356065211162        2.8678772138092490     
   1.2843441403694023       0.83060989692200948        1.0288468565926467     
 -0.65212473089364076       0.72662693070419404       -5.8324107541979135E-002
  -1.3047161989014599E-002  -1.2868372107922983      -0.60620878166230563     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7395376719772031        3.0754363026828817        2.7135128174186964     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0129580774313978       -8.0331175797607610E-002  0.40970341875298683     
**************************************************
     Configuration num.    320
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6948620090962694E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4800055802398013        7.6549566666102615        6.3522602107976169     
   5.5909573406641391        7.4729831838830938        5.6522392715475602     
   5.7899347342507532        7.5264055263035692        7.3499680508440637     
   7.2306187152279371        8.4157779616438155        6.1458554199946658     
   3.3934606654304864        8.5532018850293134        6.0652805739464295     
   7.4273968213313930        6.0263070215430403        5.8957964827538731     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.351466061790461     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.0128759893174690       -2.9522181938374494       0.26543957205255442     
   1.2546085369404461        1.2658832066373216       0.29495259323771927     
   2.4486175792884586       0.57014464343045801       -1.6957146010818491     
 -0.42215615538405282       0.35016671763758511       0.35824010881639806     
  -4.8303884278209336E-002   1.9444945930181208E-002   3.5882597382043219E-002
 -0.21758084120372131       0.74866357261309469       0.73999148381150270     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.2583004205689430       -1.6011866868977962       -2.6736016759381735     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.48100572099506061      -0.68487688081591669        1.6281071879048568     
**************************************************
     Configuration num.    321
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6948620090962694E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5636091225259685        7.5064296994285806        6.2483939974036238     
   5.6684298778497801        7.5639567441246509        5.7966451444594833     
   6.0668072404520297        7.3643095789864583        7.1949959093397204     
   7.3248863676817084        8.2367342948635773        6.1041740871229662     
   3.5053322033460330        8.8519634077310680        6.1812976322536315     
   7.2365866060186654        5.8060895323008532        5.8208627599875786     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.538830379813817     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6825851615215373       -2.5977905111980695        1.5594304787154816     
  -2.9723324352833558       0.88639291307056201       -3.1922379476081417     
  0.91013752970845330       0.27587202435440666        1.4342992196225395     
  0.40321795639547192       0.62559649339388512        2.2162691911347891E-002
   3.9542962283167095E-002  -9.2773233886221124E-003   3.0695994429930085E-002
  -6.3097686530778740E-002  0.81894960045481047       0.14628635893937639     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7206943240855381       -1.3237734342139946        1.9514825773577769     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.17320182220227215      -0.53784933048335415        1.9910862109220744     
**************************************************
     Configuration num.    322
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6948620090962694E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3071099364068433        7.3020128877531896        6.3744250067549304     
   5.3722735574558422        7.4910805345566143        6.0807281063130914     
   6.2900004816418837        7.3094948550897021        7.4563472810040601     
   6.7890624162467699        8.3009661862081643        6.2372465813403695     
   3.5983062012558285        8.6736882765039471        6.3269277171209888     
   7.2991977446849861        6.0607781262395592        5.5559822375194559     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.559267126228860     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.5465778163717152        1.5681032000929824        1.3624883405443073     
  -4.1663844840786419      -0.20011576907730177       -1.8828447433126296     
  0.17074004060912978       -1.1482854764891868       0.67460303328027993     
  0.17212306868586963      -0.48381436092736385      -0.48761470876258417     
 -0.44866716111591465       0.31122718032314600        6.2560756323283812E-002
 -0.27168341948197128       -4.8287822091412441E-002  0.27130283078148454     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.1230827280754703      -0.50345576781360701       0.48222992874850557     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.80698502278476181       -1.0063061531885165        1.4988306328245071     
**************************************************
     Configuration num.    323
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6948620090962694E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3977571075478981        7.3845338837942913        6.4186227935208562     
   5.1893231496465964        7.5026503999729410        6.0923601014738065     
   6.3592790002427186        7.2197769147016304        7.5215800985152219     
   6.7515403986869789        8.3496472632195342        6.1754328572922672     
   3.5671822582117212        8.6648488815971945        6.3528024807526631     
   7.3166701618920023        6.0449851433049968        5.5134357120808657     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.653265045466696     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.3070278023344928       -1.2711136873727713      -0.16725970101966425     
   2.4677537209359057      -0.56763101165732444       0.55077361909426226     
  0.46882843622697912      -0.21254699652014233      -0.64502250700454877     
   1.1089017942793371        1.0619367714550583      -0.38247750385938895     
 -0.36358587305708301       0.18373467256765733        6.5779258194975758E-003
 -0.37439716976090287       0.80487183211287183       0.63797461397090083     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1172732869271420      -0.31970127831897732       -1.7995653477774707     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2367153594054396      -0.97783083014143490      -0.17529316256592320     
**************************************************
     Configuration num.    324
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5503367392373236E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2397714921012746        7.4417398378440627        6.3701792454526673     
   5.1662250488925041        7.4162314307143395        6.3690042941738403     
   6.7672643790998572        7.5883231163400522        7.3512661229529455     
   6.6487791433624031        8.3000136809506664        5.8094435624755452     
   3.6571686039426137        8.5989000410520386        6.3918088825790784     
   7.2483762296667509        6.0653221790794563        5.5201374806931316     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.612792951115356     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.9697337317249604       0.44595275119119870       0.11945662433646548     
 -0.85106876827696343      -0.66107735793126465      -0.17518202525215990     
 -0.76007917278678816      -0.55496054678971019      -0.26546445995630791     
 -0.68082576402937800       -3.4104959593109385E-002 -0.19281690861861492     
  -1.0569250905215175       0.63685028518149367       0.10125190919606571     
 -0.61929596625244709       0.16789545124369848       0.41258004463344061     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7888026198756477       -7.6155927386754599E-002  -1.0002872756322523     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.93946736747325821      -0.60942556177534069       0.14085323749998097     
**************************************************
     Configuration num.    325
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5503367392373236E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2821995708951608        7.4688331107262309        6.4068436792262480     
   5.0862067131408359        7.3311240360472372        6.3878185879050262     
   6.7193621542423516        7.6896842537823273        7.3795939162809319     
   6.4981101524029041        8.3313866146943543        5.8500038594479076     
   3.6865530223590377        8.5571742297497977        6.3787683186490085     
   7.2360497344692751        6.0924956532970143        5.5108615678742474     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.523933858743703     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1412105668018730       -1.7359737370999426       -2.3791863061798656E-002
   2.3291750378887985       -6.7060704868591683E-002  0.11065181394057041     
  0.12540906185109912      -0.66412799440626480       0.53083330360839565     
  0.17070338846511496        1.2707555710103811       -1.3285715386247885     
  -1.2224299152527711       0.66179007554076696        7.1809263817096486E-002
 -0.26051221056539886       0.53327865599037239       0.64027225671739507     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.12724070302196702       0.40112144797449040        7.8682174220176232E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0105275397526619       -1.7087953065666068       0.24334625846668154     
**************************************************
     Configuration num.    326
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5503367392373236E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4286900577230570        7.2629162015335273        6.3373334065279048     
   5.5282405683753115        6.6714031663412658        6.6314108639346783     
   7.3678470261069524        7.4416305063791297        7.1640285712584699     
   6.1178500361325669        8.2256766604872755        5.9027169901418741     
   3.4395366194555996        8.5958788171261524        6.6615889049006975     
   7.3533018951194613        6.2378997811655923        5.2424805957193978     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.508669948657602     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.1783295958886679       0.32658285592075714        2.4275013839725750     
  0.64597625935700798       0.73253697365408543       0.37860404181050655     
  -3.2268105009223866      -0.17504992155491006       -1.4231551169373196     
   3.8146818181680732E-002 -0.29568851228880344       -4.3372929738391353E-002
  -3.0372940758591944E-002   3.1394104201721666E-002   1.5717956435069399E-002
  0.39400300006917932      -0.61974416441129510       -1.3558699572804227     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.2939253667884381      -0.53396536039090492       -7.9099234944487645E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2516827981475542       0.81930765049921084       -2.7064891869279148     
**************************************************
     Configuration num.    327
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5503367392373236E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4523792353733711        7.2701476921100658        6.3959214587736426     
   5.6208808541775452        6.8180234537560480        6.9364116265210978     
   7.2280863768082249        7.4443237933835569        6.9562976223599842     
   6.0586478855090888        8.1028494555698920        5.8992069382563104     
   3.4425025742837216        8.5721298625137567        6.5810169729021784     
   7.3543062486918105        6.2562104678931254        5.2926251973725851     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.441617123680320     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.0528604603602467       -1.5704905655006427       -1.6234382386619219     
  -9.2213536940286528E-002 -0.49143167231752682      -0.18252488769171210     
   3.7118431033230737        1.9564938963693410        4.0815029432036489     
 -0.60967162531809072        1.4270464595641708      -0.83966293492767008     
  -6.4302281662660846E-002   5.4935026964072063E-002   4.5753931027325820E-002
  0.10827386846515624       -1.3775586729839022       -1.4822994201457906     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7919261917759406        2.4691190218348509        3.3755737419455913     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.0809118261517595E-003   1.5318495251473572        2.0211854823352118     
**************************************************
     Configuration num.    328
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5503367392373236E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6411750621965471        7.4091702726883941        6.4271191897697548     
   5.7379614272762058        7.0394322191142278        7.0130685873103076     
   7.2145267692687920        7.8872919459368713        7.2049712089279776     
   6.2003944914805214        8.3525804161224801        5.9133293721220799     
   3.4291928154247642        8.4632308769212301        6.4504659024759388     
   7.2759820989366615        6.2148758560698472        5.3743079668966134     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.637987501047295     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.4075566490088889        2.4520372964416532       0.96094156848899404     
  0.68187142402359280        5.8164740962007647E-002 -0.95803050868423167     
   1.5707017246572694      -0.39608788671487255       0.29790350572222907     
  0.44835832244533236       -1.6695364670197432        6.9090075885105615E-002
  -5.6322123800744237E-002   6.7157638303639217E-002   5.3848242872650526E-002
  0.76281416167742222      -0.51097918551026345      -0.42467640166115034     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.31583750251406528       -1.4900765616004312      -0.44122979017475722     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -4.3272250886007904E-002   1.0375729028492882       0.53774207288533271     
**************************************************
     Configuration num.    329
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.4182315062462169E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4111216959986210        7.7844025365792922        5.7477325415821561     
   5.3991966790597576        7.7150788488556623        5.3014813891646062     
   6.1946934502428119        8.2683202952709856        6.7775389339671479     
   6.9844309728356011        8.4364520148242033        5.1768572371389947     
   3.7331682107291537        8.2752303497668667        6.7296017312472438     
   7.1147708512348027        6.1470700753602028        5.6497677848615568     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.599088517361679     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9018674805097895       -6.4957847120884676E-002   1.3734675103331813     
  0.38291504804270654       -2.3852557974225974E-002  0.26737476995693998     
  0.58987993071890132       -1.3777145670353783       -1.1585976527534785     
   1.5445816107665111        1.2570185115651307       -1.2311488674517128     
 -0.93559909000814367       0.27750904960337031       0.35968875658379967     
  0.32182457110887230       -6.9203126365807069E-002  0.39060691503032013     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4837174686962760      -0.11095776287937685      -0.80282783815183578     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.26260616784218493       -1.7051019902259215       -1.2889596451659959     
**************************************************
     Configuration num.    330
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.4182315062462169E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3395291648124132        7.8850014997495661        5.7327575543959917     
   5.4177503264642759        7.6147852827588176        5.2262423976130723     
   6.1778606806556375        8.1343726323337382        6.7623662817997801     
   7.1263519633000909        8.5625711983377197        5.1782952432866596     
   3.7899999022896291        8.2423753184445854        6.6890879949629696     
   7.0659872915376454        6.1580424461303238        5.7053933345714372     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.468186907346990     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.4143046069026664      -0.52710727465416052       -1.8434904938173173     
  -9.2650865981896646E-002  0.94080908064471769      -0.11216092647442305     
  -7.8081548957649183E-002  0.19122267336230792       0.46756820770754565     
  -1.5153575794486833       -1.0297442620952499       0.83186044711735851     
  -1.2282468616819222       0.29107013900167544       0.47552439255738005     
  0.49791578026816630       0.13419189274950163       0.18063037200130791     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8582639628010043       -1.4299792413487431       -5.2031899108369570E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1200285310135754       0.51036353751189656      -0.36217524989150346     
**************************************************
     Configuration num.    331
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.4182315062462169E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3648043314867770        7.9373098396752537        5.7032170118011676     
   5.4642327186962181        7.6482459227994015        5.1616300729219500     
   6.1196330980260214        7.9876995796747039        6.7556274224180060     
   7.0664867748038001        8.5501703097296424        5.2586391024150450     
   3.8045286286712590        8.2024240217992155        6.6536146439148025     
   7.0509751501742128        6.1944447549342847        5.7498600220617817     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.329757521518786     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0515769113872997       -3.5608372193435160       0.74728207691196169     
  -1.5386023503795384E-002   1.0312487409927804      -0.11982416174154552     
  -1.9030928247103340E-002  0.96593995399218935        1.5475155209946500E-002
   1.5561717428754303        1.5664194471931481      -0.90733522713695514     
  -1.3305354991106877       0.26418599874227239       0.49044887452146169     
  0.85877710941471208      -0.26733305728143220      -0.22547472624418455     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.3365046459287342       0.65113373602404268       0.31148635233511140     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.81376060000930517       -4.1201081929170772E-003  -1.7822410587701989     
**************************************************
     Configuration num.    332
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.4182315062462169E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3596801708731494        7.9129507372210623        5.7253952418560896     
   5.4737529352243222        7.7443766478881138        5.1391813380287532     
   6.0729422312893568        7.9948461732736700        6.7895430283331182     
   7.0593534795284363        8.5943035604678766        5.1974558980035903     
   3.7942699270897737        8.1921523122940769        6.6380952660055872     
   7.0679684602533133        6.1963373400176138        5.7634749803836138     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.485541481897144     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.96119065671161508       -1.2386251854706058       -5.4443409496588796E-002
 -0.43391677577775406       0.26408584512405137      -0.13654772420662156     
  0.28370325263106472       0.85127560424309467      -0.70243181265092447     
   2.3031836454443642E-002 -0.12688706379324940       0.67285632538563389     
  -1.3948199786208269       0.26916782824779706       0.51244487985798926     
  0.55988695512771769       -1.9807542521123336E-002 -0.29107390921923559     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.6067598739033357      -0.44400380676977147       -1.0658646195161572     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1292311522227674       0.97191196671170310      -0.66499328022878024     
**************************************************
     Configuration num.    333
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3549573981902528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3836879957048502        7.8391478527202407        5.7344880612853970     
   5.4616471312235237        7.8497786391048718        5.1189046127521234     
   6.0428415561908535        8.0810480645320801        6.8102682515463462     
   7.0067480763934613        8.6101212347734286        5.2117551484427365     
   3.7447565227244977        8.1789571980110694        6.6064166236141926     
   7.1200455276339509        6.2111334533307900        5.7904091766726067     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.541523820788825     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.38697425560994836        1.0514128260229612       0.37957772231978293     
  0.24233006077048846      -0.61331103155683597       0.50091685451863177     
  0.64869432828605700       -7.8144388425791883E-002  -1.7507104596671250     
  0.45339791623043629      -0.53252210044378046       0.73088473653761787     
  -1.2895314436923664       0.26211960011462215       0.44541420411031785     
  0.33274107182189372       -8.8075847140447139E-002 -0.30737821501796614     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.8754115859736662      -0.66370515284952891       -2.5597741668768186     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.42222473521972231       0.72633282926060827      -0.74237743795697353     
**************************************************
     Configuration num.    334
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3549573981902528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4509634711479462        7.8360849912572110        5.6645105280319870     
   5.5396127751347768        7.6606022967240506        5.1599032107012190     
   5.9658162314583825        8.0838552448787091        6.7980158699977640     
   7.1308438055117414        8.5338660004256504        5.2307394181133198     
   3.5346690147939981        8.2311045387151758        6.4130279369661896     
   7.2932337624779651        6.1896544796071984        6.0021200986073922     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.444419875628228     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.67863231368060761      -0.98280280640674567        4.7467277880012375     
 -0.94743721013465310      -0.39712891833868280       -1.0568806731746210     
   1.5016387860030371       -7.6802400576211891E-002  -3.0291860741083534     
  0.73551737830927399       0.54534366107601762      -0.22755637968139336     
 -0.47221551802071160       0.13159459771851892       0.12298160712265348     
 -0.13752214197409812       0.77972809630253959      -0.55567392819196904     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4143663103597841       -1.2348425429458507       -3.2235472067470488     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0207363096339432       0.21774481517236574        1.3370693180934514     
**************************************************
     Configuration num.    335
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3549573981902528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5571428859552601        7.5652499934962902        5.4678593583754047     
   5.6398003089870246        7.8962668153940330        5.0738088787965880     
   6.5992040388670734        8.0552775503552780        6.4838578102082938     
   7.3418438844678562        8.1230294511747125        5.1294563992128621     
   3.7316473259061342        8.6797832256403957        6.7804137928659047     
   6.9537111636576183        5.8557192010966075        5.7579429652734193     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.445337510644773     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.17581600543929995       0.13406250527151814        3.7950425486164541     
  -1.6879717682816635      -0.48620676678550717      -0.71331896807645334     
 -0.85116172182390804      -0.74210957719648818      -0.28918944220794324     
   2.7102725959691281       0.85548961229168574       -2.2320231848642926     
 -0.10616840975418107       0.11368436084147862        1.2399491824319274E-003
 -0.24202990920262879       0.12385248967360064      -0.56251265095011116     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.0577447423199944      -0.58254222625451502       -1.4930004636733324E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.78299849591255333      -0.61128805149257825       -1.2198887795730251     
**************************************************
     Configuration num.    336
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3549573981902528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4525887005983540        7.3829865008579114        5.4940088329883441     
   5.4256255626800591        7.4934434149928224        4.8407416803386587     
   6.0349083484293935        8.0260904035899685        6.2601047348946466     
   7.2662689042616977        7.7976256330797700        4.8744859376689016     
   3.9915433848018900        8.8694560183563578        6.6837235509118313     
   6.8255946999477342        5.8132504326134473        5.9260822130009343     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.480081444701909     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.7320704286620430        2.4894046678488619       -3.2722801958978485     
   2.2099072398673258      -0.77829204795103646       0.95239902101061780     
  0.48924402094469754       0.30049201301939249        1.0208726444569767     
  -8.1950667935833138E-002  0.20261267834617533       0.32566092786298401     
 -0.34533922055473931       0.25436491043036724       0.15972995702669038     
  0.46124126967747292       -2.4698972972507711       0.81425147353579830     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8401986161849648        3.7111663222298410       -7.4865558065663543E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.64115378528271427      -0.15750058678155379       -1.1339661305449187     
**************************************************
     Configuration num.    337
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3549573981902528E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5426439583444687        7.5610099168589073        5.3573500397642260     
   5.9115657835871795        7.2741770623603088        4.4436687487794835     
   6.1564749845102078        7.9986071884827403        6.2169108473275063     
   7.4337096069205204        7.7814161533667345        4.8332879212965878     
   3.8738735702634757        8.8834833025246276        6.7225737281166662     
   6.8253212109751473        5.7685796751205833        5.9878516760919664     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.443917636242308     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.51686085937541204       -4.2871802231204503       -2.9501949763714088     
 -0.28983117724342411       0.96680967739379942        1.6873088765628914     
  -1.0616796514999483        1.5914934430760435        1.1013323703882987     
   1.6821781734522798       0.94873256295292929       0.32223939343805647     
  -3.1505112063748696E-002   9.4266518210707084E-002   6.5607661684264573E-002
  0.21631960472218714       0.68469607974970859      -0.22784167002704936     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5832351420880186      -0.86477686236918172       -1.3269494264935153     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.37222858429446326       0.50965160175617519       -1.3231802279078388     
**************************************************
     Configuration num.    338
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3165233992571150E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5998428907852906        7.3971751634923972        5.1928629626429945     
   5.7402437991407647        7.4676640983058560        4.5073166288291384     
   6.1853998298292945        8.2032214788795184        5.7853634101238667     
   7.5495739439562941        7.6630499817476680        4.8937334979864504     
   3.9029276675377913        8.8970912479002617        6.7640835089354443     
   6.7798824588287339        5.7789155032984478        6.0367565345183793     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.587646963075944     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.3496410898985696      -0.49540022886357954       0.84382063246334194     
  0.55746328125466782       -1.0512855156298078      -0.75584031808454566     
   5.8882966352726808E-002   6.9007869505093133E-002   1.7338357204051178     
   2.0756295191220353       0.44189688366235919       -1.3363170005667673     
   2.7758300470556021E-002   7.0177429994256468E-002  -6.7508345299295475E-002
 -0.36987659129719708       0.96509169979621534      -0.41821403154527803     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.72528223831198990       -1.6996487812541876       0.79877873221161322     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2050703401320553        1.4278559015051508       -1.1373432097976151     
**************************************************
     Configuration num.    339
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3165233992571150E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6112043771384164        7.3671544345562436        5.2145364102457954     
   5.6626470778473008        7.4949289474492371        4.4913415264176244     
   6.2025045780058949        8.1707100644751289        5.6622686706282517     
   7.5612645727583878        7.6428791202119672        4.8132191377767244     
   3.9259774684641688        8.8901145392591943        6.7698921211026857     
   6.7584895716944660        5.7989305636287636        6.0483799317526028     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.155197902637383     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5298216171495738       -1.7984971514422026       -3.1753589084039859     
   2.0328698041488495       -1.5143845228984740       0.32549798677937092     
 -0.92275814914818188        2.6663687666070253        3.8264832578740147     
  0.71738598802083042       -5.5072054384175548E-002 -0.77944266590792166     
   1.5207568489074182E-002   6.0807141905925059E-002  -8.4728986711865406E-002
 -0.31085507051248984       0.63991566297241187      -0.11241072347323067     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3629170317749850       0.48989716536651101       0.88735638154536034     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.23505742043242719        2.6926099238106080       -2.2094317940395389     
**************************************************
     Configuration num.    340
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3169785937886876E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5496715618922323        7.3858928779322204        5.1154438782362464     
   5.7541953684790919        7.3422361950237134        4.4620854689206730     
   6.2049410075516107        8.3568096964355032        5.8242574802329008     
   7.5546637415588087        7.5780348759351499        4.5601485195330538     
   4.0021629826243874        8.8877569916722639        6.7853593248157456     
   6.6932914235684393        5.7984867126197788        6.0800611179222210     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.479779852079449     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5546336276642254        2.3425059154094234        2.6369707945249266     
  -1.8779889589459187      -0.68068730948986522       -1.6645465299657249     
  0.84873936711169495       -2.5749647926916053       -1.1405945775507345     
  -1.4754224441476393      -0.43998601422660955       0.93598476791561735     
   5.3928695842347635E-002  0.11408466734007816       -3.3770657858323797E-002
 -0.10473714283140388        1.2379599984260612      -0.73727392633804989     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.85686049817294752       -4.4335908018760311       -1.4848553916558411     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.82849575105724560       0.23354393367448301        2.4172772404185978     
**************************************************
     Configuration num.    341
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3169785937886876E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8451836231292624        7.4924821487656690        5.5632283102963767     
   6.2034775292062676        7.6775777810091741        4.7214992417516690     
   6.1675030085910176        8.1821923619094861        6.2797732906033996     
   7.9310552844461357        7.6444528798703733        5.4221232226557934     
   3.9252928505684732        8.8295777167685312        6.4181139096360456     
   6.5811130072325783        5.7949275520297840        6.1176882791101281     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.695743208740396     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5071012496368348       0.93977703240495158        1.8957623958793324     
   9.1887948890770232E-002 -0.31777273661994065       -1.2263860162232367     
   1.7143571316983492       -1.0206053783236606      -0.65223899040527455     
 -0.49190219286837478       0.22491028146083969       0.11683598072560084     
   1.7265855772759596E-002   9.1510130140716101E-002   2.1844081718633040E-002
  0.17585184797379863        8.3096502082955381E-002 -0.15557055919720691     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1819799469296881       -1.1009560667275278      -0.10111802823544797     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.80432597093132452      -0.34480505480159818        1.2223177764622843     
**************************************************
     Configuration num.    342
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3169785937886876E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6395844997385538        7.4768628186054276        5.5809487815940475     
   6.0929084972694652        7.6174308280371976        4.6998801747224892     
   6.4317638710846117        8.2224941481694209        6.4657797045799450     
   7.6823354685606651        7.6958846357024981        5.2792074391738755     
   3.9938079258396466        8.8371501877566736        6.4866251837918512     
   6.5929737256138594        5.7890829296884183        6.0407510089986065     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.634681920646248     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.3102468492631467        1.7790952430175810        2.1086938558146819     
  -1.5915001199797640       0.42561844013476163      -0.94853019050100973     
 -0.44209591614799615       -1.5709114723660402       -1.6913803483401721     
  0.16310666218056785      -0.20747577924688307        7.6205348667478079E-002
 -0.30553750416911885       0.23348047626097895       0.11734451952578175     
 -0.13275389546424807      -0.65988426690960433       0.33873012220215870     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3088472975007843      -0.15383207486650299      -0.93333311661233409     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.62837268524787848       -1.6562353324402999       0.56449599809675977     
**************************************************
     Configuration num.    343
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3169785937886876E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6325811846511424        7.4750778191999174        5.4777497483892708     
   6.0700213361567119        7.5829898270205947        4.4388652910246567     
   6.0346305159716334        8.0671550021876222        6.2497290281842490     
   7.6858083372219301        7.9096856882439477        5.3851979289364751     
   4.2082205188580071        8.7829952060852374        6.6352950135810822     
   6.4279309294469043        5.8411324761551429        5.9689103296098009     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.538445832109801     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.53711860976872527        2.3928953267751050       -1.7432168729785404     
   1.1268576419531473        5.2666275192178626E-002   1.9304994894886964     
  0.43508322180683667      -0.18667280204315434      -0.98966052752707534     
 -0.78347981344744344       -1.0873530591047751        9.3418932241530792E-002
 -0.77253946120380279       0.45684676495767818       0.38707935309083830     
  0.53338137672936725       -1.6277153476294695       0.32259655064636994     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.40919235285572064        2.0875471870796809       -2.5167442601263579     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6731889006751004      -0.34970527242999194       -1.2832771270047816     
**************************************************
     Configuration num.    344
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3169785937886876E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6361597558859327        7.4803993675073217        5.4229408791525326     
   6.1490159140968954        7.5576663878902020        4.4242610051309788     
   5.8453992060206170        8.0238271644750139        5.9768397306101972     
   7.6234790664456913        7.7944546995629720        5.5084182908919521     
   4.2177614103616579        8.7743733631831180        6.6376271868997838     
   6.4366474997108671        5.8686980458328710        6.0036808616884265     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.584644000644403     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.6949396904971499       0.11746029944692173       -1.2144817721116796     
  0.91835736285441150      -0.17856484011100643       -4.9799455094579906E-002
  0.55416876277914240       0.64542836649016344       0.52663805451137169     
   1.8899738572187410       0.71312617835353864       -1.8795104505236297E-002
 -0.88823121260743454       0.48170844210941854       0.37986993544158920     
  0.22099281947089772       -1.7798368771567581       0.37791664159408678     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.3532481029813965        3.3356624560893748       0.39566034520210119     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.47029757547608192       0.12112872210062467       -1.2840198418395461     
**************************************************
     Configuration num.    345
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3125228408308849E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6283407278607651        7.5168705329676486        5.4440851714573197     
   6.4127865762042813        7.4977507306809246        4.3888353899154406     
   5.7341466404603869        8.1084248828977525        5.7629731031481919     
   7.7473014033600114        7.7738608852873012        5.5902063382242586     
   4.1726228099212879        8.7842517080463214        6.6127892058173137     
   6.4532568533107559        5.8460025019711344        6.0402541736740130     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.596937237503880     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6963364094998399      -0.19529280506383778      -0.53658984855558578     
  0.35839329411375492      -0.37950414757566131       -1.0828785732489352     
  0.67907188960225806       0.31612612257036021        1.1390128717566039     
  -1.8055601364258369       0.18039111799161436        4.7912677346587981E-002
 -0.87525752888231212       0.46646786684401786       0.29675322432550599     
  -5.4537691533850040E-002 -0.38870691486783998       0.13830722596604633     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.96970952122153076       0.95961683062271685        1.2482298947893344     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.97106398367334401       0.76575855402184456       -1.3599726375715722     
**************************************************
     Configuration num.    346
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3125228408308849E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6443593430043615        7.5214946789323625        5.4352732837991358     
   6.5495057058287669        7.4573768117477996        4.2927138768600681     
   5.6691356248149676        8.1884890160784956        5.7639420783330335     
   7.7616826573803586        7.8023840977699725        5.6263864618528627     
   4.1540001389297476        8.7966853616063805        6.6015286949745802     
   6.4567395627056072        5.8243060406344895        6.0611536216907576     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.548354416637949     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.53280543328845908       0.51940379173806694       -1.5497744351740508     
  0.21347131385729298      -0.17212277037977064        1.1119984917796937     
   1.8803847339178650      -0.95833348201234048       0.23040656247055075     
  -1.8897805682120596       -8.0961476283858747E-002   4.9718303964702767E-002
 -0.75422611209628743       0.43820759763288425       0.24118527893307040     
   1.8880456169864116E-002  0.25344885940622636       -8.3563579332108090E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3624952569152367      -0.87652497729581380       -1.3911556326354826     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.23331154177266522       0.49155010234732943      -0.78404342781531089     
**************************************************
     Configuration num.    347
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5578900142019702E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6562704513045059        7.5256532540277652        5.4245231036216754     
   6.6228600424194850        7.4339916257522836        4.2569740109257905     
   5.6385107956655336        8.2160748259208400        5.7698167331329486     
   7.7414392940570176        7.8156289469424234        5.6448168472918647     
   4.1446500082307187        8.8035643790375975        6.5961990185285133     
   6.4595173610698593        5.8140498608320197        6.0714154538611025     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.475340262868713     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.19142179345007632       0.44666741196263948       -1.7217755543978268     
   3.8302304931477570E-003  -4.9615001605479048E-002   1.6554004959802964     
   2.1195513631654910       -1.2635393738085245       -8.1571892319910050E-002
  -1.3500929609369416       -5.7316841153372350E-002  0.13900049863482378     
 -0.66239644571590284       0.41122415464054257       0.20553582036760504     
   8.0826022087552435E-002  0.51128879809557004      -0.19654576484227673     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2546974169291834       -1.5331531762227091       -2.1800186881542656     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.11206826324280569       0.38728970388092698      -0.26595775973322611     
**************************************************
     Configuration num.    348
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7900347648000311E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8297409915137566        7.5182491017536508        5.5005047759942780     
   7.0269608063425348        7.3255902901144951        4.4298448766149470     
   5.9524024322924927        8.1007999042614909        5.4600795993647058     
   7.7091672648607030        7.9150962587583686        5.8723355959894237     
   4.1164169977420118        8.7988524178483889        6.4777551062142367     
   6.3516141872055316        5.8352841771079413        6.1538898913963411     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.590573051947786     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.76798261523561495       -2.9883587063880994       -2.5334319345380245     
  0.22687259124104431      -0.28359315970709514        1.7763568831048598E-002
  -1.3914924267327149        1.1060689986041004       0.99858234420910763     
   1.6863451532267042       0.69261286060265070        1.6233332976781849     
 -0.39076495357754593       0.28177147613494002        5.8063894412450121E-002
  0.63823802074795255        1.1906022539718035      -0.16622566627337548     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6925945223525920       -1.0648290839939738       -9.9423771758181456E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5960458302001612        1.4476488609521176       0.43186470271642413     
**************************************************
     Configuration num.    349
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7900347648000311E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8017485926730981        7.4147144051688532        5.5320482373193505     
   7.1163047434831013        7.1739177527324021        4.5205561314333931     
   5.9214875591237153        8.1752919488045617        5.5194974178179361     
   7.7870576897279680        7.9485597183721932        5.8369373723114055     
   4.1381562514533217        8.8278509815096733        6.4383733591726555     
   6.3239780770115255        5.8462941705103990        6.1696405800690961     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.545377352445485     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.98874792973562697        2.0307587714816742       -1.2755998697416797     
 -0.31400218882564901       -5.5957818571151154E-002 -0.81354671182945648     
  0.82530038337296019       -1.1443218950321943       0.46751661950065865     
  -1.3606266100546398       -1.1305754375996782       0.86715414850680828     
 -0.39158294970221696       0.31794648969215322        6.0117194475626440E-002
  0.25146523934356574       -1.5503284314310820E-002  0.69346416712872805     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6182547720574141       -1.3175922075400790       0.92695373465813191     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.86804812837150258        7.5386227699674596E-004 -0.28544365419172557     
**************************************************
     Configuration num.    350
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7900347648000311E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7716047490780760        7.1943489826948133        5.6568619420823447     
   7.1369719556327995        7.2984944654629809        4.7000747689360098     
   6.0232949360582708        7.9171975717370220        5.5596885848164765     
   7.5124397209601437        7.6076026310705220        6.3562029440191363     
   4.3688390601026930        9.2002505350848267        6.3157313890462001     
   6.1206732398780677        5.6020842791892189        6.1666221289972407     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.558473163581766     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.65846335294077629      -0.36209881079322909        1.9604166138098664     
   1.5280196582280929       -1.1418778061991439       -2.6479494145315616     
  -2.2671319382331943        1.1350370470729236       0.87903697163073147     
  -8.2073529022301667E-002 -0.47950730618474419       0.19806461960892838     
 -0.27867229855272246       0.32168909807410556        2.1889571260070920E-002
  0.43836596817998508       0.52604919417386464      -0.41092598508006789     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8207319241133721      -0.10120822379518173        1.6418371394355582     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5066578886582960        1.0413251528778913       -1.1592124259220067     
**************************************************
     Configuration num.    351
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7900347648000311E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6501745263147987        7.1729158921542169        5.5793430231671701     
   7.0842007419969031        7.0271312652448650        4.5221530327914223     
   5.7239173019376661        7.7615873714014549        5.9091300408389413     
   7.4098610759013095        7.5451485217429921        6.2119605142612198     
   4.4872264378962026        9.2530628126810353        6.0809029750239141     
   6.0947296151342618        5.6117531143340456        6.4246353390765645     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.485324802846435     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.93323881362089711       -1.0050751133343607       -4.6273363262216739E-002
  -1.1855974165647654        1.6186395871073483E-002   1.3004189306644240     
  0.67089969386625259       0.30479022135957323       -1.6782815617757758     
   1.3625707511954064       0.38655982900130681       0.78212982552000976     
 -0.55598093447684582       0.55955363167191663       0.19440160342013391     
  0.64031016627269921      -0.26310928077261891      -0.55259431794898273     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.15783115307855086        1.4379841675303231       -2.2006769490254023     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.96222983258069428       0.36546654463796141        2.3853706496429909     
**************************************************
     Configuration num.    352
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7900347648000311E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6879667434732326        7.1560896697014282        5.4362370904619333     
   7.6578157130520372        7.0094095363670954        4.9151257640724388     
   5.5752155176742750        7.3637389426906612        5.0835778301543337     
   6.9087162767075929        7.9162208153514770        6.2815843161590346     
   4.2467080359042813        9.2087104283280095        6.2123857975720282     
   6.3310453862999649        5.6668264874271177        6.3825855142365615     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.474819219555229     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3220557588632160        1.1177508612207061        2.1366183452896910     
 -0.92466647052985673       -3.4875150588055993E-002 -0.65097497053965225     
   2.5645962128940800       0.45666594753839174      -0.26293836417368738     
 -0.56114997517099796      -0.71805939596089852       -1.4385620414022986     
 -0.11081278208042430        3.4037389501071560E-002  -4.3499755202275552E-002
  0.35530475986784454      -0.85721280817539669       0.26086008832862395     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.9438845221665240       0.49982631577556291       -1.0472617582835577     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.43581891879795071       -1.4114506725835190      -0.59907661624098296     
**************************************************
     Configuration num.    353
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7284300082968316E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3901302861643501        7.2333974209115626        5.5537956178236509     
   6.6084390105500734        7.0098119816326587        4.5717275968092617     
   5.4535584376591393        7.6625940958898271        5.5555320793218002     
   7.1840404053073250        7.7862821679003282        5.8933351249147368     
   4.4939702076151926        9.2375740527829322        6.2110747139877347     
   6.2857450317669104        5.5926685520862494        6.3733693353950720     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.362768546439383     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.32496131064426875       -3.3188348366080263        5.1454474747494185E-002
  0.67224583277682659      -0.82510150755158607       -2.6761035005998499     
  -2.0185960801187068        1.1196092965957170       0.69120904986421938     
   1.7275908253898913        1.4781194585060324        1.6335206078890665     
 -0.94632516019671475        1.1751243841764545       0.29930262927172946     
  0.23964603520859556       0.37271204608967645        7.4142736877131493E-004
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.2133386625969083        2.6152954168150058        2.5412872798658555     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1338465830044475        2.2039941619280956      -0.46778145355088774     
**************************************************
     Configuration num.    354
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7284300082968316E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4444264842341736        7.2224427999689080        5.5709901615672157     
   6.5224878256985734        6.9987413117453743        4.4394896217730606     
   5.4018446890757739        7.6933176041186258        5.7867770219828412     
   7.3224539050411863        7.8590895821170497        5.9550226567984543     
   4.4928560711844625        9.2317070597257320        6.1807962936786049     
   6.2683798885820208        5.5918149556844270        6.3796920491930980     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.508055332483533     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.32576901018479815      -0.28859357196846297       -1.1827956383910692     
  0.20298301075087422       0.35929837769506312        1.4788467318665250     
   1.7056780744229563      -0.13840772138881985      -0.30811576805126606     
  -1.1584534656675549       -1.1066226431142032      -0.32665724017917291     
  -1.0608302378907744        1.1905240487695052       0.29871478460372358     
  0.63498161375392104       -1.4936292216361545E-002   3.8337462320743899E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2373728417743377        1.1344571690403522       -2.0406468370315745     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.8667053526973270      -0.12655410810783374      -0.40431180031078762     
**************************************************
     Configuration num.    355
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7284300082968316E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6089963375180591        7.1079193014449560        5.5007720088866474     
   6.3829892116157616        6.8621329327992440        4.4203077974362870     
   5.9927293223026394        7.9676857965866965        6.0709278511159379     
   7.7359833903171369        6.9853647872218190        5.4815101165562439     
   4.3362906878522312        9.4727377686475691        6.1874541171205371     
   6.2716067525936676        5.4726188352674967        6.4203522065604011     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.609269825946058     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.47433212726533447       -1.2029575022341426       0.22510098483697924     
 -0.62727628795384538       0.57059467833991551        1.0099153661431504     
   1.0538916138516703       -1.1872391798522122       -1.3793187562345597     
 -0.84305198013310223        1.1248899270385380       0.51652648601197437     
   8.6873182580446462E-002  -7.8912114144913427E-003   5.3848570136318184E-002
 -0.14486295964443074       0.70241676532677211      -0.42615479017588304     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9784740507428842       -2.5697335862773141       -2.6006035936428988     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5204267712364306      -0.60671704107812918        1.1197261691043403     
**************************************************
     Configuration num.    356
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7284300082968316E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3069591257208062        6.8449391585613784        5.5406394055290553     
   5.8960185471850641        6.6260398159586265        4.4156125766721877     
   6.0041460682788044        7.8289911231215381        6.0827917087206576     
   7.4861736092953786        7.0578374882980945        5.3642108400119701     
   4.5115487373429390        9.5904377727635435        6.0239726903754045     
   6.2805143237500722        5.4781217999579033        6.5827526319161684     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.415141511665070     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8289877435208273        2.3065064674266664       -2.5784817854685649     
  0.42859628284079615       0.61448913841826558        2.8358314596827676     
 -0.65262203741874225       -1.3441183399031988       -1.1393847217665689     
  -2.1923841869177929      -0.45935081419277174        6.4276520320814656E-002
  -3.9081786182069041E-003  0.14874799774604258        6.2664970738395998E-002
 -0.40874693218975200       -1.2678671460899658       0.75552078629865815     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.8290138866631227       0.25880661629321555       -3.2728799767399597     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.56483186673121988       -2.3885487828975656      -0.81102323814125798     
**************************************************
     Configuration num.    357
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7284300082968316E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3877066668869693        6.9164893274480521        5.5140639747116023     
   5.7542665044308015        6.4681623068635563        4.5831302294581002     
   5.5137703821897253        7.6929335981044780        5.8146308873886605     
   7.4458628175221557        7.1173738633958932        5.1963021018132940     
   4.4405056098239388        9.5526344199192792        5.9458742140892804     
   6.4000694351778931        5.5181310467338358        6.7001539916402928     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.502644685519954     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.1913977977733827       -1.0215853603795670       -1.8868816641295600     
   1.7918053692459490       0.64608625596885461        1.4994351282901042     
   2.3212508421307394      -0.30380175312536595        6.7829639839891126E-002
  -1.0024785986930191       0.34242590889727625       0.47419362474273896     
 -0.12005677887043195       -1.1957193121331075E-002  -2.4025664708838511E-002
  0.19966525506277799       0.35064699512527869      -0.12946849617101147     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.1563417934127536       -1.1962864310700250       -2.0716320961029067     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.23262348885987535      -0.35478866123442981      -0.43171705704380225     
**************************************************
     Configuration num.    358
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7306812815884053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3935552283413388        7.0527835517582576        5.8628023734163248     
   5.5607679134591415        7.6403132124256841        5.9443577542760613     
   7.0249308420360554        7.2716833854814302        6.7248220279392692     
   7.2026700212418335        6.9646005505048336        5.0065284049625802     
   4.7058086380288451        9.5231009410410952        6.0923164918818031     
   6.0115575568896187        5.4340058945121807        6.2007013400877566     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.280870302878157     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   5.6075957972499273       -1.4058688560986079      -0.66132219956934701     
  -2.2489065865949840        2.1340048270262608      -0.88740989526393221     
  0.20182126527207558       0.80880159972749233       0.21141422140138794     
  -2.0383937237965015        1.0096346134794336       0.86525786713815456     
 -0.42217026876811370       0.64822198277319076        9.5455606391412512E-002
  -1.1004050139813426       -3.1896734398412452       0.37516965877029329     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.82225236984140804        7.2172659602731271      -0.97850906486606382     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.28254998116156410      -0.85323055830918504        1.1574551145061411     
**************************************************
     Configuration num.    359
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7306812815884053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5060153495445876        6.9508879838102864        6.2707854266501242     
   5.8807457191191714        7.9692840612877429        6.0435934455181384     
   6.6891625796893006        6.7917875788775985        7.3396261025827858     
   7.3439349154217384        6.9640212227118434        5.6565240535715127     
   5.1358408667824911        9.6228543056076088        6.2364148862553836     
   5.5292686427850937        5.3858669154352325        5.7644858862165602     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.624351481134227     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.9909838901501837       0.16314631953390074       0.32382776135911673     
  0.63744330831675988       -1.8676397645866585       0.63209967988737270     
  0.17722325441607684       0.13153686762179151      -0.12335409501169313     
   1.9778355722822532      -0.31900532669912718       -1.0244848729125944     
 -0.39162600698875238       0.96597693851940136       -1.8777287575760322E-002
  0.59158892759262760       0.92487339652432532       0.20908140312304541     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.59575741858027298      -0.95635099143324476      -0.30906648887683008     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2101765890013501       0.23109206506424829       -1.3394192409067900     
**************************************************
     Configuration num.    360
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7306812815884053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4240993378277969        6.8198412945636839        6.4647583211833206     
   5.9034333382535840        7.9140841631093810        6.2543714648618902     
   6.7340487939289968        6.6409292084913476        7.5782479294042222     
   7.4440668288590048        6.8816526724103255        6.0889235746236032     
   5.0509013403328291        9.8055695244980470        5.9985641387864677     
   5.6230387401169164        5.2800904340283719        5.8371318299987012     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.631398471244893     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.42260092794013771        1.0381909444244417        1.6665685686385094     
  0.24854527517401756       -2.1208706670651458       0.38015915790723781     
  -1.3168704472491566       0.24659593634922083       -1.3261716461039725     
  0.22059211585699520      -0.21955458958200069       -1.0041878420824495     
   4.0579693621001597E-002   5.3290066716674418E-002  -1.2587795671089061E-003
  0.38482178074480400        1.0029173894253880       0.28671697530425622     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1576566649565316       -3.7101445741708448       -1.7690424879823574     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   6.5401835439977796E-002  0.12924363412724574       -1.7096058133280287     
**************************************************
     Configuration num.    361
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7306812815884053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1412141978712977        6.7450249309311481        5.9954735127793972     
   5.8119058823925398        7.9007374331389091        6.0993236749682049     
   6.7739383020579673        6.5192337806446279        6.9867148363496892     
   6.7966181000736183        6.6610818688723832        5.0855156315898213     
   5.9527963097999192        9.9376373668854718        6.3617059881247346     
   4.8958562102765777        5.2134915558756170        5.8304206110067449     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.501824538514260     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1199936584526302        7.0215472400040627E-002   1.3756535393517446     
 -0.41521115576433471       -1.7787382953005966      -0.19467663921775141     
  -1.2698512334418659       0.16200898451716145       -2.0686469646495258     
 -0.48041385285094784      -0.19301190764118986       0.70342259490270542     
   4.9787018859197250E-002   5.1326218217152914E-002   2.3229124654253145E-003
  0.99505391309185587        1.6876210705631565       0.18353167115949592     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.5784838980324634       -4.3339468259965743       -3.0333868290851704     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4461139430197836      -0.10222563953542030      -0.93403465967220700     
**************************************************
     Configuration num.    362
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7306812815884053E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1040087891866159        6.9165407879242098        5.2254816522007266     
   5.8298035200970340        7.9985217000466893        5.7089498487509527     
   7.1815235224597354        6.9523049663526599        5.3853119725033505     
   5.9987824602030049        6.7238673970449083        4.0757091611589438     
   5.5590712891050496        9.4917233129342229        6.7862821708733128     
   5.3441967865173474        5.5343205427945534        6.0053622371710409     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.593950691121563     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.26633845745818441        1.3413035090326160       -1.9163118297066675     
 -0.43210372147914788       -1.7282124948207584      -0.90524438438483401     
  0.49734660671296194      -0.65832276704258341       0.29763522647386864     
 -0.14564883898577588       0.69817390479520935        1.6951507473728953     
  -6.6152480769705077E-002  0.69552708361769100       0.38841176291940155     
 -0.11869484204362894      -0.34883139930341456       0.44220082091232349     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.20665209354802577       -3.9965579609350883E-002  -1.7843585505461110     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.38409248053006356      -0.85876684466269815      -0.14766845189460884     
**************************************************
     Configuration num.    363
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7681046578297125E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3804501747932312        6.9292745383648047        5.1705573354725916     
   6.0080659803199064        8.0393432964236471        5.3562424591426030     
   7.3644026454229428        6.8378870870570596        5.5514624679498059     
   6.3205906036871395        6.3169403482631088        4.1796933106566412     
   5.1661843614958496        9.4765431897000276        6.6694167749139561     
   5.5663749902046851        5.5994018944229520        6.1501515590852813     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.501525317969481     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0617148560851559       -1.0688191921531545       -1.3539942513882002     
 -0.23338409358394191       -1.7757291084548654      -0.20728768317168794     
   1.4606155492792308       0.14854259571602046       0.21030845533000930     
  0.23901281718573966        1.9467068721816190       0.92335327834910930     
  -1.2038541269023028E-002  0.27759698992728971        1.9253915878777235E-002
 -0.39369980161399748       0.46936323807003544       0.40774148461114490     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1612100397133012       -3.1297576856539364      -0.92997141056333044     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.9610902088300351E-002  -1.2118022670417488      -0.12326889474534371     
**************************************************
     Configuration num.    364
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7681046578297125E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3759973865259916        6.9427370721792538        5.1402809663109732     
   5.8864368065723749        7.9812440058252587        5.5118800299020441     
   7.3557752200171898        7.0864329106657094        5.5238604185533040     
   6.0832174268585471        7.0027247953185539        4.0183250012416227     
   5.2250184613507242        9.4149102381700533        6.7098976043079350     
   5.5505274230495916        5.5576127825476318        6.1236887428977562     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.386518839130080     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.2214382195118376        1.8109033726734645      -0.34640425197179903     
  0.28747360977955960       -1.7826961613195771       -2.8591149943080064E-003
   1.3619942419567486      -0.56257838134338622      -0.28185505640621450     
   1.0000011648428231       -1.0274280806822884        1.5740321648464737     
 -0.15844340358794565       0.52181456858653041       0.20376852560559447     
  0.73309929535674745        1.0400481473340464       -1.1478911575512849     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -9.9755967335292212E-002  -2.2509894927490905       -3.0125896415718247     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.77588035675699896        1.9592907920280322       -9.6248458001224214E-003
**************************************************
     Configuration num.    365
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7681046578297125E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2708579474263022        6.9958944499430107        5.1996782977894602     
   5.6374790809270126        7.6697428084547381        5.6233535225226063     
   7.2935898104745327        7.0574139417712196        5.3175337645335148     
   6.0826800735615425        7.0888292035160374        4.0540592011825352     
   5.2881773090936406        9.4184707615048158        6.6946996995343193     
   5.5581538898630303        5.5647478214487727        6.1254337522166882     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.274303170816438     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5776838894871208       -2.4904177015016598       -3.2002108410270367     
 -0.92951075786404336        2.9581307747832506        1.3715445589516904     
   2.2440778960147649       0.20327307477869061       0.94165353234705296     
  -6.7108118174600218E-002  -1.0697169120689902        1.4213905332642889     
 -0.25732695482909712       0.70622057586022779       0.36869593529242450     
  0.58710646889071283      -0.30569067780041992      -0.90374669042388656     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9395256889169254        3.4361870967996149       -1.6829291541960760     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.7857460630436217        3.0165745519682217       0.10685775919911474     
**************************************************
     Configuration num.    366
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.7681046578297125E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1324313843633966        6.9813286171886784        5.2230156542870425     
   5.4491624732657824        7.7121744951269990        5.8255164834641278     
   7.2833255387886613        6.9930810384786106        5.2100855116502709     
   6.1346516477939881        6.9877048369210470        4.1133456261882673     
   5.3321835920382794        9.4330671589199664        6.6883649608133728     
   5.5775859243924337        5.5689665468743881        6.1064868639625258     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.092359680906384     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2677028722898038       0.53619420666077544      -0.33097236127900270     
   1.9056709420546027       0.41730278926042041       -1.4567494166441493     
  -1.1532419840147312       0.51789450662067393        1.4431764764880328     
  -1.5819800829127701      -0.53023316324275171       -2.0138851135581247E-002
 -0.35601335997127792       0.85151551669574677       0.53889130913535344     
  -8.2749240970656973E-002  -1.7937929967306745      -0.17498891748801426     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6440758494109207        4.2857514190176689      -0.74658414837091958     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.57432699998307568       0.45635905925472525        2.1293154543189341     
**************************************************
     Configuration num.    367
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.9905983748077110E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1018361225923918        6.9666618974679588        5.2077108278993718     
   5.4137404111621725        7.7867713646625338        5.8832562314622319     
   7.2562600330768730        6.9856990648483910        5.2199572117148820     
   6.1231331308692711        6.9336022626469758        4.1672183390444992     
   5.3390077644021554        9.4412146598657767        6.6900176375058971     
   5.5894767839889559        5.5643085301482662        6.0963127539940176     
==================================================
     Total energy (eV)
--------------------------------------------------
  -26.869954894048760     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1601921818604111        1.6567351744562677        2.6182574399162193     
   2.2981622758850349      -0.50046908174375271       -2.1411616189121858     
  -1.1017264243696627       0.54997532840374708        1.3162433217762355     
  -1.6882646680490698      -0.51027742418573019       -2.4323230302519825     
 -0.38339648343783306       0.79984548467614447       0.56307292162264710     
 -0.28536393723917380       -1.9980492906930416        7.7378250840176577E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.7810316982024075        3.8018174969991354        1.3129450285863540     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2798057017235540      -0.36795228616940162        2.2705954559328867     
**************************************************
     Configuration num.    368
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2694803848013653E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1220984841960444        6.9370213638793494        5.2257652984502494     
   5.6779291580407607        8.0646560660077338        5.4479903089335906     
   7.0954929259187889        7.1570483741899418        5.6927672169880585     
   5.9656957684342320        6.8156370738275127        4.1726139859073639     
   5.3259553439725993        9.5133770128264938        6.7295830855075467     
   5.6017589357709117        5.4648124441173893        6.0457860004832096     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.359733978315035     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7413851055279671E-002   2.7160327701284106       0.86158805636532532     
 -0.34092743124008762       -2.4195295348072809       0.55180655860539207     
  0.39991192025129529      -0.33117625999375755       -1.0413140372114291     
  0.78338196737268928      -0.43674138567025789      -0.91530510353423933     
 -0.10673580471970255       0.64415062509363530       0.22792323570794670     
 -0.71664820034645726      -0.17353925367428019       0.31778140554531931     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.27437345767588317       -1.0305678183881284       0.57847847954079923     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.37670918674984599       0.54567444515765640       -1.3439550464640180     
**************************************************
     Configuration num.    369
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2694803848013653E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8043638922564904        6.6533629835322348        5.3518784006826428     
   5.5833446252389303        7.7570147123234552        5.5799629867380327     
   6.9955888238030335        6.6134686868175327        4.8355884143956072     
   5.2159026152211725        6.3534754820465666        4.4481324876231678     
   5.1920964213575695        9.6515803804003024        6.0428800727327525     
   5.9498010681653311        5.5708916855668020        6.7404997886895908     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.350930405721783     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.8304306253702385       0.77239891181138298       -2.7935775160805996     
  0.12250217134248764      -0.89785326186426107       0.39152495735907245     
  -3.0259548252597979       0.35824244964947294        1.3484860511982879     
 -0.22031837538122648      -0.58342063987671788        1.0097819753485660     
 -0.11960003464281389       0.53213411706797520        5.3003036117536817E-002
 -0.58685478696682425      -0.18026274163272626       -9.6948906049345585E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.7542566642341915       0.62373603593169646       -1.8926306652501492     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.57277539709772096       0.23906214286698846       0.82726380444197467     
**************************************************
     Configuration num.    370
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2694803848013653E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6204204682519352        6.8258834723940076        6.5021117332558340     
   6.0689377367494721        7.7580676830128192        6.0929081246755841     
   7.3972101272984405        6.9425039299188045        7.2703477909170831     
   7.1854663307652658        6.7095739985537159        5.6108794018619577     
   4.8792394803118597        9.7715071277325496        5.5832212910352954     
   5.6638717836029890        5.3150980013629461        6.3467115201422990     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.498913800429818     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.26528360674430784        1.1490891984197065       -2.0078352644347457     
 -0.23643651774156857      -0.65921109338719697        1.6274112328799715     
 -0.81183478112809637      -0.27965178058966994       0.63700756395227387     
   1.3610326369069126      -0.22236269209500673       -1.1035101766179740     
   9.8660661286908369E-002  -8.5308752059767401E-002  -3.4887266704469524E-002
 -0.14508475171700816        9.7485274128725666E-002  0.88189820357286342     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.34639738985395052       -1.2230202513086856       0.11472941036293582     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   7.0739465848301444E-002  0.28093999940002490       -1.6599231118649571     
**************************************************
     Configuration num.    371
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2694803848013653E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5603632842445796        7.0881616169234150        5.6822903041668393     
   6.2176687052682409        7.9180885695956427        6.4630434322139756     
   7.5693411287846706        6.8179416815530516        5.7047717160626439     
   6.2300596082249875        7.2587324238385014        4.6278531110248258     
   4.9067384838320569        9.3419308460139945        6.2780419795353737     
   5.7283121321052928        5.5898583000067186        6.1754217998931580     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.494949682992686     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.6705782476339324       0.68107969199792762       0.50367127189231486     
  0.61418114905792187       -1.1791600237162454       -1.8566568800684087     
   2.0989748901833405      -0.23438827876385740       -2.5729859957259920E-003
  0.15425179024398833       0.41286079045802515       0.84390908463641967     
 -0.78342116290018693        1.1132589839023812       0.28762396465262380     
 -0.41211238094778380      -0.79439494746240569       0.22224981350701778     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6883121791346731        2.3603230286719716       -2.4333692937002844     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0602924874815447       -1.0036576473279701      -0.28779103707785697     
**************************************************
     Configuration num.    372
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.2694803848013653E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8569771461208076        6.9378441104846056        5.6500430968138264     
   6.7356965651496719        7.7113461524834772        6.4363593478416892     
   7.7765820276152668        6.5398587708129625        5.7657365714920710     
   6.7409360014827060        7.2073399930356485        4.6127135925640825     
   4.6298850229409760        9.4445505781065080        6.3493111638150772     
   5.7652081929773544        5.5986631188536755        6.1129179160712894     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.652560023587970     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2144212232154508       0.78717403569128397        1.0667950354682105     
 -0.45001033026463222       0.22002057744842390      -0.93508279001484995     
   3.5060377233914952       -1.4729894327336199       0.30893732166435706     
 -0.60072266745500558       0.53263336786983806      -0.27382554476017906     
   1.9230044703589817E-002   8.5704423657533030E-002   3.8104239735796887E-002
 -0.26075065337798942      -0.15445486650238194      -0.20418013227392720     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7210296819210815       0.88242070330366773      -0.99598737755584199     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3480221869705273      -0.51465383030334999       0.51727342879072735     
**************************************************
     Configuration num.    373
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3150151434356108E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8385231306137078        6.9095883692583966        5.6952167841688262     
   6.7679060443666765        7.7013679686203789        6.4374240444083890     
   7.9342340331261321        6.3049214213520353        5.8336850680210892     
   6.7760326185403033        7.3116571121105309        4.6484927839492247     
   4.6252654051221151        9.4472280270063820        6.3563318786192005     
   5.7506987885164067        5.6214214120592505        6.0787697170840405     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.488620594675240     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.9725132237354033       -1.2492819852031862      -0.26576414742078347     
 -0.25742422419245825       0.32188192411312572       -2.2778906427335585E-003
  -2.3066840596329463        1.9722037561237287      -0.54890414213908034     
 -0.27061601822107861      -0.42105728289290156       0.83191660471216022     
   5.7650585353594179E-002   4.0184325474499169E-002   1.2834955593181175E-002
  -1.1936698177091936      -0.66399897643918115       -3.0142293557142028E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7351556916957414      -0.46120025857693181       -1.3996392848384211     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.5880807243655832       0.66159670822220717      -0.60075454084149904     
**************************************************
     Configuration num.    374
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3150151434356108E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8992476837114252        6.8487231491679683        5.8279876395768087     
   6.7595351057315236        7.7068929486570443        6.4100670384000660     
   7.9915804255567027        6.3818972238840237        5.7455038110852792     
   6.7329502642091201        7.3419851331789321        4.8799785691024296     
   4.6622021192480609        9.4231851798481934        6.3388924895789840     
   5.6925245203015642        5.6533546195242659        6.0381462952721003     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.555266893939692     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.9505300890188657      -0.88987233049091818       -2.1063644560943180     
  -9.5689948434064823E-002   1.1219761887080495        2.0528654863032214     
  -2.0185637448122260       0.88838046543380322       0.63690292060344733     
 -0.12937257931761464      -0.13705533597493438      -0.96570999411337533     
   8.0897032599888660E-002   3.7231231762926253E-002  -1.8395039023950174E-003
 -0.78778588917551629       -1.0195555773071749       0.38512498937473583     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8302095444471602        1.3215502687401144        1.4279882139812676     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.8327503213245506       0.46488242730299767        9.4017916132529661E-002
**************************************************
     Configuration num.    375
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3150151434356108E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9265972127612399        6.8751033184897521        5.8223486645045837     
   6.8216648957504455        7.6922454251679433        6.6476259986452400     
   7.9643010728019963        6.4440367374955043        5.7583346173984378     
   6.7725290375267893        7.2475127633803096        4.8894030153694867     
   4.7021082756035089        9.4023678811330598        6.3161340883676838     
   5.6349552032616934        5.6705352529355064        6.0335014549605681     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.623741864408885     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1664189297139351       -3.0923818245695383E-002   3.3291435394410582     
   3.0678378082506889E-002  -1.2111453509688264       -1.4925867832188116     
 -0.74112300340021697      -0.22384625266539906       0.60417216520124584     
 -0.75056761748751677        1.7315895154885192       -2.6817585081225719     
   3.6470329331805197E-002   9.1175154743934755E-002   4.0666738402421534E-002
  0.25897556859625342      -0.35636563836657653       0.20292380842978158     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5486652473944924        5.7495192553108990E-002  0.65084705423775402     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.11034373604514910       -2.4169805062545646       0.77069188013229195     
**************************************************
     Configuration num.    376
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3150151434356108E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9433541407469521        6.9510726374533194        5.8837190464266351     
   6.8588110624926424        7.5587502726542919        6.6902180306507537     
   7.9010028670855919        6.3280561053706945        5.8499322269846834     
   6.7533844049119214        7.2346552996611369        4.7965253746524574     
   4.7361590148410730        9.3826412395195309        6.2870304161296033     
   5.6003380584821398        5.6941223718953573        6.0371526221704501     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.466418767186045     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.57528293750867521       -4.2597915010853278       -4.3624203429136372     
 -0.41388824431079890        2.5393966646848627        1.9743684850068788     
 -0.84622935378676389       0.71141340403331998       0.36442168995169810     
  0.31995367211480852       0.82996237100606651        1.7078132054569388     
   5.7037313754430448E-003  0.12401675103658447        3.3789003917133277E-002
  0.35938405094452197        5.3100051198136516E-002  0.28296741069875841     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7942011480305047        1.1283338702693468      -0.73987853414579030     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -4.7380123890185241E-002   1.0796777747005726      -0.55077332368135734     
**************************************************
     Configuration num.    377
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.3150151434356108E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9007472539509545        6.8722965143606158        5.8350922940549657     
   6.8210213906262638        7.6496775908167072        6.7526292077943424     
   7.8189252214791507        6.2383776549713135        5.9719367256197344     
   6.7927026780721738        7.4810803903245908        4.9376341088372309     
   4.7472574434357737        9.3517141235281258        6.2481361748594413     
   5.6127622512327964        5.7237938587654060        6.0557935219147181     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.622055124718148     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0595083720542113        1.3264210356257817        2.9864969723092223     
  0.12770957417878281       -1.4599841611032776       -2.0033619158680791     
 -0.26686003650174567       0.86034362593219094      -0.59012505205382149     
   5.8154667065644372E-002 -0.21921023103532464      -0.24964085034459885     
   4.4363627381413469E-004  0.14326282640435004        1.9131358149895951E-002
 -0.97900641990166792      -0.64984955218948437      -0.16278289328525236     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.39070162143436260      -0.96707829666183043       -2.1064864968617258     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3452709748395233       -1.0205884135380732      -0.17360388540743793     
**************************************************
     Configuration num.    378
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1447299199525234E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9765265875715059        6.8798007904300453        5.9015661225414142     
   6.7953686534605424        7.7146153958775985        6.4800953492029816     
   7.9366279018902954        6.3283586873860678        6.1854904491076068     
   7.0988673006345167        7.3126052564163517        4.9238471658902059     
   4.7819766311701919        9.2856131547513687        6.2767540468404652     
   5.5074413135943532        5.7888819746343803        6.0128651870180398     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.661473541862961     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0775784286429173       -2.5365299483405690      -0.52702927619577822     
 -0.68154024009654846        1.8022417562632298        1.8787928404619296     
  -1.2376983843110716       0.33998472751332293      -0.19040209322137783     
 -0.23721465803766423      -0.26531413860946496      -0.98052064027649810     
  -1.0024430522239496E-002  0.22930187214205588        2.5892969183682425E-002
   1.0876474545389041       0.42696611766252957      -0.20705837710591293     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.0452670382844675       0.84244580683648962        1.2732360114598769     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0881844796620741        1.4027186559706062      -0.36077335323470666     
**************************************************
     Configuration num.    379
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1447299199525234E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   7.0051845486508038        6.9037738346492858        5.8978118058689750     
   6.9049258875899291        7.8559013629540395        6.4702504007033150     
   7.8978063567173820        6.3201603489131886        6.0665726419556654     
   7.0703306010228211        7.1655244036914736        4.7677068379446004     
   4.7520463870657261        9.2516970350848737        6.2473701790565528     
   5.5229015064224081        5.8162551405978835        6.0756652799998623     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.671617977187680     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.67949465226588157       0.42508043394502110       -2.2323762558656144     
 -0.35722650269123096      -0.65646935900281522      -0.15631320038227287     
  0.35962644642973540      -0.45777070606509540       0.63408694343939753     
 -0.39490551508155169      -0.16988875632475151        1.6449492798852339     
  -1.4179215706410470E-002  0.27166129772673431        4.4378873042057031E-002
   1.0880601806610666       0.58753944264954738        6.4758373100879313E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7327441598984368      -0.70220010542850453       -2.1897749090004486     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.7069816890477616       -5.6797342875465902E-002  0.44870283325157678     
**************************************************
     Configuration num.    380
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1447299199525234E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   7.0138798406104730        6.9452506183145113        5.8379103293436669     
   7.0161014718252916        7.9172082277354612        6.4240811949407712     
   7.9284834863419524        6.3350974542802394        5.9938652603143385     
   7.0135735858859549        7.0850451761977551        4.7307494923268072     
   4.7414051062804505        9.2519696493324020        6.2144257576957926     
   5.5209959802627191        5.8024085941239703        6.1464855473153284     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.560408597174959     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2074862390402716E-002 -0.67487114587625285      -0.56874293567429079     
 -0.71721876024105313       -1.1054657539125650      -0.60184632996393739     
 -0.38489978705267197       -1.3647799229344827E-002  0.48816837296339100     
 -0.39907117634480255       0.42286546008698417       0.68616011922097742     
  -2.0136426751530913E-002  0.28422191319090340        3.1847902117027503E-002
   1.5327396213341680        1.0855225190569591       -3.5366205779874038E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9803887758458520       -1.7917860274595840       -1.4746347518282046     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1254432913202921      -0.61645575185075518       0.39119496904741125     
**************************************************
     Configuration num.    381
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1447299199525234E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   7.0022313166633188        6.9032724775212744        5.7903337845262666     
   7.0155005079267774        7.7876443574921517        6.4826446926699051     
   7.9248061204146980        6.3776706200123092        5.8960234268890268     
   6.8548894349827068        7.1250248593437604        4.6714603613663517     
   4.7340430153437021        9.2511489628219152        6.1761268177604860     
   5.5506907466866000        5.8227549493939001        6.2120236982180659     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.626434270376421     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4457466950534534       0.55325965424522905      -0.98380973639887148     
 -0.59571993871652973      -0.44620435781654955      -0.89772567557650429     
  0.74696634003284346       -1.0495697992029118       0.23585358061962358     
  0.12300827048470507       0.23614027479112790        1.7069409336995840     
  -3.8070547359787515E-002  0.26378112727669134        2.3038716449203703E-002
   1.2086534791583268       0.44358473709771074       -8.3770368341048757E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5139144815790213       -6.0019422702583562E-003  -2.8573641717059495     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0895905270470916      -0.36155929871285142        2.2733779646690377E-002
**************************************************
     Configuration num.    382
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1447299199525234E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9316051690729479        6.9103041656765045        5.7833762390798622     
   6.8899930083298377        7.5688722342086754        6.6775842775651091     
   7.9437564865651824        6.3863639194753166        5.7566541473640269     
   6.7075347783918318        7.2643852779559763        4.7710794015348714     
   4.7273216932651954        9.2520682266976557        6.1815619079549897     
   5.6099869656386359        5.8274322785963335        6.1914364261546622     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.595663864579816     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2280526488722401      -0.53537303314878970       0.65043548062170009     
  0.23602139756870136       0.64100124765769750       -1.2415625284022620     
  -1.0226401680543755       0.10702863808551769        9.7402571924602846E-002
   5.1251191649143657E-002  0.79856908104218560       0.46577153658543535     
  -7.0294955959827959E-002  0.22912960636069368        2.4941851978015149E-002
 -0.42211174218225006       -1.2374846846245706        4.1460918308696172E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.85888588921790054        2.0111433809672588       -1.9804631598670619     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.95234070110532254      -0.60147408263653213       -1.7934480254757603E-002
**************************************************
     Configuration num.    383
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1688388836408814E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9583123989431881        6.8618934400335467        5.8248474659482765     
   6.8230070467672217        7.5519883348367678        6.5768389261300690     
   7.9482947153965657        6.4798755289076118        5.8168227402880905     
   6.6665067222702330        7.4854869346898862        4.9535801229305152     
   4.7301641417881291        9.2470825641140681        6.1719146069980484     
   5.6097711669743839        5.8152274004223106        6.1710212004578615     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.530990232419750     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2164017391935860       0.84827485313846440       -1.6477034059068976     
  0.25661614660089849        1.9886910701522675        1.9955788684878382     
  0.89765692278193876       -1.0511115063472092      -0.18607635878506534     
  0.40132003405797301      -0.51991941226633387       -4.6564596183808468E-002
  -3.2522219423875801E-002  0.20775474738488481       -4.7815820489047044E-003
 -0.30737343115214355       -1.4718298806535479      -0.11149466672212771     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.55524165683949034        2.8788138151346550       0.83349420024050702     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.33984721256914330        1.3886751338663317      -0.25933753995177611     
**************************************************
     Configuration num.    384
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1688388836408814E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9726640444960744        7.0239662867371884        5.8873800449801630     
   7.0638274640347829        7.8752771754206403        6.6524827941160298     
   7.8129004543152520        6.2808315842981646        5.9800973033984430     
   6.9534840877520638        7.5214448074267519        4.9231123388104745     
   4.6822265648902333        9.2284678010599652        6.1976305405653562     
   5.6085735028092403        5.7608591144649708        6.1006015353401342     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.509105978415619     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.91593232841629035      -0.84206794586281630        1.3066126690417572     
 -0.85132897915979300       -1.4283518650609375      -0.59121839872102799     
 -0.13994562388947898       0.98399212634679267      -0.22525949455774613     
 -0.44276304517456827      -0.23353058748933336      -0.41157603658979119     
  -4.3498058561527372E-002  0.25505457389863950        4.4839130932054702E-003
  0.55960565758352399        1.2663514515039891       -8.3928484332220332E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3552346270340065       -3.1978154009302635      -0.61608682975777274     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5006709905013011      -0.39032031204622497      -0.12067739535306655     
**************************************************
     Configuration num.    385
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1688388836408814E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9407688955860491        7.0509312066451555        5.9600438794781869     
   6.9589879872722609        7.7409482814226775        6.7673902863457691     
   7.8007067333454545        6.4625726999405337        6.0592860081363593     
   6.9673848861413976        7.5941848466584894        4.9861715129634083     
   4.6421154210128917        9.1967620676078177        6.1966146043179657     
   5.6711262519366370        5.7698732647924409        6.0479862753378963     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.607898745693319     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.37831300501659282      -0.27051063442941475       -1.3264431944441235     
 -0.88151671518465191       0.76135508972836230       0.82327420701949483     
   1.8658885981443896      -0.98618503654028344       -8.8190280917948394E-002
 -0.51161967024758570      -0.37892583830837001       0.59817459244751991     
 -0.12082598707791334       0.27962521301286586        1.6565014435274993E-002
   2.6355175373488492E-002  0.59599694566757400       -2.2475460786674659E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0940701514584010       0.30849671928732508      -0.47271856352534303     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0693087388222473       0.91943154093279811       -5.0240844874299119E-002
**************************************************
     Configuration num.    386
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1688388836408814E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9829199959640134        7.0906815697307835        6.0543209511905172     
   6.5218104241911181        7.6564148895527468        6.8473899755158927     
   7.9857172298125096        6.7763257516994946        6.1674574479670774     
   6.8280671598657436        7.6139712507117370        5.1307181892378226     
   4.5595206709454850        9.1298226209383877        6.2200847235996690     
   5.7836102160316099        5.7952516061452393        5.9550373212766861     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.672002109212368     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.6213174910040498       0.18527482284974656      -0.21925269988758361     
  0.44407723082047523       0.92825220031826294       0.42307802186875182     
   1.2105543528550842      -0.75284171934122157       0.37895289351470024     
  0.15912481754243943       0.72713631728496353      -0.48394718353105765     
 -0.16816975601948120       0.26402951616851505        5.0050219786623988E-002
  -2.5619869918681471E-002  -1.3511637478512797      -0.14879997569259951     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.73748265324711093        2.8157749683606781       0.23421068351674965     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.28725217658353447       0.14435417191259231       0.29269024115512815     
**************************************************
     Configuration num.    387
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   6.1688388836408814E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9188416980471317        7.1102150302988845        6.0599546397361124     
   6.6022805699990066        7.8343713707324172        6.8461820865672358     
   8.0377171074271772        6.8079391414047388        6.2427931350250363     
   6.7650163411565085        7.7006111586925012        5.1741514203306354     
   4.5531497802968577        9.1117538688419764        6.2734290061646272     
   5.8038577212805915        5.7732826883590977        5.8865205469640722     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.675867487615047     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8751664183450421       0.63241801028272016       0.97313230117647265     
 -0.17781015704526076      -0.69302038261920562       -7.9647468217190681E-002
  -1.8247238931077778        9.7899418817460823E-002 -0.51779208114411501     
  0.38771945883184028       0.33935241945315864      -0.70376808040386629     
 -0.22418563964994653       0.33113819440736841        3.7721774564146757E-002
  -3.6829200215264833E-002 -0.71003123046466421       0.28983854866743436     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8824725536485274       0.83084375906257868      -0.14332594469655324     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.26216877026756785      -0.58499165647674689      -0.78772478287450620     
**************************************************
     Configuration num.    388
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8881599893807576E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.9057133061646860        7.1032504750429766        6.1997283197438655     
   6.4591152716499636        7.7361287246465587        7.0430319040242599     
   7.9413495459163972        6.7533098307619461        6.2583571270573968     
   6.7798028548896081        7.9789780572363629        5.5286196635358786     
   4.5915767195691650        9.1714109742001213        6.2459517169383201     
   5.7952356080993637        5.7018260598553177        5.8026856797762099     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.582110079147924     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0243629563132681        1.3468259056699767       0.49786732557653884     
  0.53207768142413825       -1.4753992825385958       -7.2957908162302659E-002
  -8.0650582006670302E-002 -0.11371091581665896       0.25660392434365958     
   1.6371100862911974E-002 -0.89147490762473436      -0.86740647640360213     
 -0.18241802614278652       0.32581599191346172        5.8120347212687093E-002
  0.73815605013233709       0.80789472316930744       0.12785485730663010     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2142122352086158       -2.3102948239066250       -8.1651291287234293E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.93359330770102511      -0.88260526571632414       0.12140983946011902     
**************************************************
     Configuration num.    389
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8881599893807576E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8659311320697878        7.0848453242024290        6.2787750428115929     
   6.5964308672848464        7.7728957894833099        7.0707721277623437     
   7.9130627066258130        6.8046738857138624        6.3122541918102293     
   6.7646273767922427        7.9685557964333240        5.6363832949138546     
   4.6279444612721559        9.1817488387600505        6.2424155578791654     
   5.7617564958513166        5.6889560775847086        5.7580726308630625     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.308220795205667     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   7.2499429264023196E-002  0.59595063622379230       -1.0020312983046220     
 -0.91930047865273379       -1.0346117237025285        1.5993248297327189     
  0.23430979926405782      -0.70283756590176516        6.7583890738669453E-002
 -0.20281071855814090      -0.59051149254648583       -1.4514102566225675     
 -0.22113607285347028       0.39143883966310422        3.6180287080343154E-002
   1.0359814671425938        1.3408893598831153       0.75039245498456919     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.68630262548146581       -2.2888983870606712        1.1204412825925338     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5519546425504123       -1.0898069815938867       -1.0337153078480095     
**************************************************
     Configuration num.    390
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8881599893807576E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8657449820032861        7.1743670417512364        6.3659352404832923     
   6.4709722958771829        7.2250521111954997        7.3697245731289769     
   7.9666458196481429        6.8776128360959614        6.5138480540696913     
   6.5816727990066308        7.9889231261217324        5.6415765177412274     
   4.6152418198696337        9.1343540143568482        6.2460145954050175     
   5.8032735110200226        5.7573055248235079        5.6678846091596071     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.513793653287848     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.45503016746927233       -1.3766147120434873      -0.80375801303967886     
 -0.47436048422617011       0.76114359562832246       0.17013869340425852     
  -1.1544787751582632        8.5931122594409118E-002 -0.88860969752218355     
  0.44454749805381988      -0.34354562960395973        1.1962478097224294     
 -0.37820934327224037       0.47224278205616782       -2.5870148092581945E-002
   1.1087889351710469       0.40054648900886447       0.35082659098908320     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9596401373023997      -0.24530106184973158       -1.5211296157803122     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4873758044608869       0.62517349401022837       -1.5595659871084144     
**************************************************
     Configuration num.    391
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8881599893807576E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8587718510536888        7.1404847841322230        6.4382172059732881     
   6.2917102116188852        6.9623178144552229        7.3737266420158685     
   7.8856417822028018        6.8284734589429998        6.5086570407588669     
   6.5263421935590920        7.9981930549365412        5.8532338231191732     
   4.5937162980614783        9.1299318198502668        6.2384009413014105     
   5.8627687726087396        5.8073479708342148        5.6272639211393773     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.490709098249003     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9700182773216288       -1.7537636365062472       0.34078434483443359     
  0.83705251803510039        1.3553567605632661        9.6523749052043181E-002
  0.72250666112332940       -8.9723805711242263E-002 -0.19860503066494306     
  0.27340282407134114       0.57576226472931213       0.47003645894454249     
 -0.37523589570496230       0.45031719000181947       -3.2413288827606843E-002
  0.51243763655832586      -0.53888997606447409      -0.67382271414401118     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -8.0682339718981366E-002   1.4027993254679103      -0.20385969260503065     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4211112638285315        1.1692605548100428       0.31027089308382821     
**************************************************
     Configuration num.    392
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.8881599893807576E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7292632196964455        7.0822812977292005        6.7022188557803357     
   6.1682002953340236        6.8763392511488837        7.6092723105460784     
   7.7555882589421392        6.8580846975271657        6.5532959818410577     
   6.3766823194306683        8.0612645464454431        6.2723527602794746     
   4.5358347845530975        9.0469605687655896        6.2243245700718886     
   6.0100199142424637        5.9092813804961635        5.4730008569777286     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.612482015286563     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5647306333731872        4.3970397067251921E-002  -1.8983339230519356     
  0.51672273077669273       -5.8755541479076703E-003  0.45401356001360837     
   1.3055742904090848       -9.5410190492549424E-002  0.79953200282774883     
  0.32105348426362346      -0.36288202931872471       0.61901533508442141     
 -0.57111368944948215       0.61172915474560063       -5.9446729533526033E-002
  -5.9209040731188697E-003 -0.19043516138329503        8.3614397704355775E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4914242692223898       0.64535223957997223      -0.58833466441841109     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0816960866968659        9.0780338324327886E-002  0.38838922566231987     
**************************************************
     Configuration num.    393
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6258316333832804E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7052369801391176        7.1270620677434247        6.6979341230774123     
   6.2010147559749091        6.9200053069099976        7.6957398793518212     
   7.8170706799859015        6.7913857043713834        6.7807279767781417     
   6.3186330535880115        8.0989996297636218        6.4095941218142913     
   4.4777243587968707        9.0443554346776800        6.2142985141524996     
   6.0721804542331741        5.8950566154969737        5.4335783534912636     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.593293625483057     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1115280800673268       -2.8069371600599782        1.0370026420368346     
  0.38868803524016593      -0.14210111939688844       -1.0510487876698444     
  -1.5023896676668460        1.1241687942634779      -0.16836887671820128     
  0.28322640884307798       0.69655561758390427      -0.54394761631529676     
 -0.50780831497075840       0.54094371988308465       -3.0387657045471975E-002
  0.22424483035599663       0.58752282880682549       0.75873551503791725     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4080893888617976       0.21688007348803609       -2.2403489725469483     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.48854606688591334       -1.1674163228511627       0.13282003136575199     
**************************************************
     Configuration num.    394
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6258316333832804E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5433279487976801        7.2049815729744520        6.6996819745514005     
   5.6352869390596432        7.0943111680165218        7.3398400751336155     
   7.4951220445739688        6.8550090995519000        7.1888431245143858     
   6.3976736271544103        8.1933823516107989        6.2728398256188465     
   4.3848444808166382        9.0360103190400078        6.2237829699260763     
   6.3111476278015157        5.8395104076960989        5.4330398928846906     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.619630112019649     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.9994072527981123E-002  -2.3647305648134660       0.68211966176846373     
  0.75749593557272410       -3.3900860934049593E-002 -0.13089179532696188     
 -0.60664052704632510       0.78426735976401929      -0.21396864659935924     
  0.47385765886818798       0.21238004808208946      -0.49857367432905397     
 -0.71737522618898697       0.67271471634643221      -0.10617669083567949     
  0.13262718925853711       0.73139566437251702       0.26930134952443591     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.31689709775548985      -0.22295600673802440      -0.78582842595013169     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.80717644598422156      -0.90866274000579828       0.15837878320440765     
**************************************************
     Configuration num.    395
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6258316333832804E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5287743368138820        7.1294381261799060        6.7046298590421589     
   5.6603642550680009        7.2934924550929008        7.3115698985246453     
   7.4169579832713817        6.8789598402000767        7.2395755212051389     
   6.3592186134759041        8.1533915391326968        6.2983326047306765     
   4.4033145552475839        9.0319175147013961        6.2070776625823401     
   6.3079363599434508        5.8485333301760098        5.4426583800046648     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.494767357977707     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.31104241660993903       0.39479768127156833      -0.85493450431481910     
 -0.90807657043227352       -1.1703662240557471       0.87155998000458412     
  0.90730875775820596        5.6421554559143768E-003  0.46228017909704394     
   1.1067943564929790      -0.29158047222169997      -0.72848128293178616     
 -0.72483051180046676       0.70952468278508563      -0.10813077037265036     
  -6.9685302574362257E-002  0.35410408535277005       0.35755691810893431     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2291311685747957       -1.1925222576682236E-002   6.7534169623008705E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.47438827619314050       -1.2829302618498564       -4.6528367053609174E-002
**************************************************
     Configuration num.    396
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6258316333832804E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4659812846834548        7.1305598669522450        6.7423449929854335     
   5.5353867118617250        7.3066831132626726        7.3869583492350275     
   7.3840105909828955        6.8914564032578021        7.3037825672718926     
   6.4907354545431559        8.1690628702802091        6.3520925750814357     
   4.4299035008455574        9.0190088045876475        6.1695928820246282     
   6.3056003612568396        5.8563957130983626        5.4455503660935243     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.530181655010210     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.17173944755424761       0.45997525540723799       0.88737091742273755     
  0.92004089083208607       -1.1186827723059745      -0.75800341186606113     
 -0.13460708590278894      -0.18871492518878469        7.0066673512966277E-002
  0.34978993669726410      -0.62661976521784934      -0.63286165901278157     
 -0.87053473041290297       0.83500523846757935      -0.16672620051204284     
  -9.2580614015321555E-002  0.63943717691257229       0.59967303105072378     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.27104072420972103      -0.41541332306657774       -1.3568547831514259     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.87749121794562013       -1.7488304977062470       0.93278351457701580     
**************************************************
     Configuration num.    397
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6258316333832804E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4146284233676436        7.1629803011507152        6.7918883166044388     
   5.5113080969435533        7.1099044583000186        7.3655197303875797     
   7.3364644916620136        6.8908093323058885        7.2900237137017072     
   6.5771690821689450        8.1617115065642274        6.3293595104235347     
   4.4443559753175093        9.0147942239899059        6.1343539748324112     
   6.3068747241108483        5.8727307496057408        5.4705406987875111     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.579134118115913     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5961706056846530      -0.35834035753617566       -1.2687221620540976     
 -0.40646098577834439        9.8856786993172366E-002  0.31533186742755526     
  0.33298728811937106      -0.37009366210060873       0.75905938850898391     
 -0.57258387486442786      -0.71060015669469856        8.4497534436062310E-002
 -0.92571820910223690       0.86511108221610500      -0.22492944885920446     
  -2.4777308862590081E-002  0.47350190681831250       0.33458029410701851     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7145167911183807       -3.5593879391934508E-002 -0.34754887215641711     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1179073724999578      -0.92695768744012452       0.78630316496488528     
**************************************************
     Configuration num.    398
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6161459309113315E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3936983031637702        7.0113223936277427        6.9834731842545885     
   5.3504588218055309        7.1358349102425187        7.2365556154874104     
   7.3379137699866988        6.7558893385326675        7.4773719442404305     
   6.5895693724895299        7.9947635660893956        6.5325103136115485     
   4.4397807080753084        9.0341454081941777        5.9802638351881043     
   6.3351261400496135        5.9358919918951649        5.5302166697958191     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.465194001220880     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2835865349402096       0.69370246345409425       -2.1350513902090347     
 -0.20660504482577186      -0.29695242435509850        1.3071385197066441     
 -0.70390440491656769      -0.49504899973570604        1.0619951720991270     
  -5.9724743034726836E-002  0.10511455866839395        2.0454820264471853E-002
 -0.45343529857970755       0.42860759648394325      -0.11322992187708128     
  0.14137618389916815      -0.43378358003303991      -0.14261425778646136     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.12401473723543216        1.0343344138864508       0.52948921200932630     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.87315140793195578      -0.15123516050212227      -0.10139490372803009     
**************************************************
     Configuration num.    399
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6161459309113315E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4130997594979942        7.0995281828801478        7.0617223815858079     
   5.3636334706631459        7.0571229329986727        7.3945927079030165     
   7.3521186346790994        6.9115807227277557        7.6040603408499665     
   6.4857660678520368        8.0165295354340014        6.4900956527569784     
   4.4352837918621191        9.0066312797690209        6.0087897108081849     
   6.3416726507208061        5.9223821945624433        5.4478421940057231     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.357191544114581     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.10679477378180897      -0.76468362823169300       -2.4308408286571961     
  0.62421931468251080      -0.22449330866355771       0.53561049111828951     
 -0.53324923053890272      -0.60391049614255432       0.31837120822097542     
  -3.4552046725249419E-002  0.52718659467839357       0.11028871881393540     
 -0.52942998302523037       0.52982526410684416      -0.13303995305912777     
  0.37026137137834492       0.53532120174702136        1.6009520538824913     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.62198159697112754       0.53563116847855274       -2.5650589313347805     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2683037134905528       -1.9714255735966921       -8.1847323925468896E-002
**************************************************
     Configuration num.    400
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6161459309113315E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4952925651450713        7.1221130255759721        6.9874966677348604     
   5.4896778489938001        7.0133133528060858        7.3500922734475482     
   7.2509434007578051        6.9398751673114685        7.7815177359943553     
   6.3170784399807083        8.0627329605632827        6.5071884506629694     
   4.4086220991969673        9.0050683163917036        6.0634725122183983     
   6.3567149076603684        5.9128312972311843        5.4013766383768003     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.251075019971264     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.64602306928508713       -1.6178148572773612      -0.84630870625501997     
 -0.58779891223357339      -0.61141870395384812       0.61896727207646696     
  0.14657008888204504      -0.25494256203013410      -0.93453839041551034     
  0.83274645535403480        1.1392423859563641      -0.49722876275575423     
 -0.50350866257089133       0.54027439192762627      -0.12104179684533536     
  0.75626879465198238       0.80518082124646684        1.7781282119396564     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.88711083633596821       0.74083757219052904       -3.3379742081846295     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.94163539786562001       -2.5460733787522685       -1.1214916450856018     
**************************************************
     Configuration num.    401
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6161459309113315E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4554325446927683        7.0600852310647397        6.8820625945996801     
   5.4848824047320432        6.9278375358619115        7.2966573653496942     
   7.1588717449286428        6.9161308199221709        7.7717248912477643     
   6.2659878689763691        8.1879224175320378        6.5042829795489050     
   4.3915271941634844        8.9882705898211555        6.0914454252195949     
   6.4040072399929162        5.9488414647611219        5.4165848820692730     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.305803834516833     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.3784784884831734E-002   1.8336262144020834       -7.0328798142259799E-002
  -1.0948638943378817      -0.37894075847548359       0.46129743861488653     
   8.7118695086520898E-002 -0.37189035739150311       -1.5831642236800403     
  0.82621847488118982       -2.0546968057751265       0.46639624994845225     
 -0.60564707224596404       0.68022636941560688      -0.18365249876762230     
  0.75428222412165358       0.29120664313959677       0.90979187857209187     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5398350254120710       -1.5109287202932868       -2.9261161339581667     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.85275065576807363      -0.63458151605911062       -1.1988653604453445     
**************************************************
     Configuration num.    402
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6161459309113315E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7656633285849592        6.7507290089972010        6.7525893704280682     
   6.3000232421251043        6.4714837948532207        7.7150298225107443     
   7.7357800525321112        7.0266761105594266        6.8283908080325340     
   6.2277144066857977        7.7054148964188833        6.5297907562950677     
   4.3055639372229937        9.3848769864739356        6.2201943363826535     
   6.2321281514012066        5.7504959055322908        5.3880508551968864     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.640852799821690     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.6043506316401910        1.1299968329893944        4.9097964988007545E-002
  0.34492702551709137      -0.56033215006505321      -0.31119564626600688     
   3.6020536925322681        1.1245089034680886E-002  -7.9178662381376205E-002
   1.4749997561630165E-002  -3.9496529463264735E-002  0.15335585767753457     
   8.9316695467758667E-002  -2.6804332964368526E-002   4.8500536896735558E-002
  0.55320575890328538      -0.51475940857889402       0.13759556682982793     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.0352401789548851       0.15208374566559768       -1.0524165983268399     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.58823793603210883       0.17101931388867161      -0.18251077802346818     
**************************************************
     Configuration num.    403
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6068139257567678E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4709212779282810        7.1588280292856927        6.5999808125379520     
   6.2269920623809218        6.6823077105433972        7.5313357623052744     
   7.5750369747892066        7.4499640895317798        6.4522935154998420     
   5.7713389671078206        8.0854361784664679        6.3982696509561361     
   4.4070293351734042        9.2207963797844865        6.2355578380548602     
   6.3083838365381970        5.6618980353784369        5.5023867081949982     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.576038570198531     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6438273194770732       0.18184154347463521       -1.1457995565988812     
  0.24746410704367888       0.13669487998163754       0.97111691459994098     
  -1.2843298088508681      -0.43636860158856600       0.64125072512896830     
  0.51301454059272611       -1.5066585233132206      -0.26347163112765354     
 -0.95292235911376810        1.0422993195705805       -8.2804184812491938E-002
 -0.16671180585776912       0.58166013942396444      -0.12015603943785885     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.33415946880703090      -0.61817142936266589       0.41255235432026199     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5603159081255298      -0.49143337625350009       0.78282038636829665     
**************************************************
     Configuration num.    404
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6068139257567678E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3880643798623069        7.0484211058220794        6.8308905984024140     
   5.9544962196798696        6.7449827165979181        7.7544192907536491     
   7.4486429493448911        7.0463499640231202        6.8577652800419191     
   5.8041891177961489        8.0605166384156757        6.4222440966443202     
   4.4531182254528083        9.3507542358134046        6.1646843048710114     
   6.3316643387643241        5.6106227223146021        5.4214091598700156     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.410904287640506     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.80957936060887936       0.76770432672591493       -2.8789498710361867     
 -0.60883271357847812      -0.92895324142792457       0.72102786335555413     
   1.2109632286809804       0.46320632968044945       0.35725950367064446     
  0.93398889951142516       -1.9193800351783172       0.46728972530841345     
 -0.34121309516851844       0.52513126189182380       -7.3707363308116988E-002
 -0.38438061136399149        1.0936178902266738        1.4085379717350452     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0467982193759975       -2.1695785250399062       -1.8990926502572882     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.87150498347409788       -1.8159609218382289      -0.12207687175831375     
**************************************************
     Configuration num.    405
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6068139257567678E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5050096929980192        6.9847914701302427        7.0262855098242563     
   5.8930039921567969        6.2538287446642578        7.6372924593548976     
   7.6251999976738913        7.1014119949413494        7.1555302019907980     
   5.8727282362992703        7.8506438652214863        6.6146181357613756     
   4.3146892883488057        9.3154068081599686        6.0190013964927260     
   6.4097585816729374        5.7404082627126094        5.4588096436366644     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.540257867653054     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.73164585083993749       -1.6263582772434639       -2.0020014805544042     
   1.0823735879691418        1.2357198286914826       0.22911347051422387     
  -1.3532064746837205      -0.12519750606062102       0.29517322708539573     
  0.60975528887096075      -0.38736146853739306       0.63340694753779703     
   1.1442847761410462E-002   4.6227882993705928E-002   4.4811863992919046E-002
  0.38235241528137326       0.85772659987744881       0.80088957297278074     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.9094457887513112       -2.3750695283236833       -1.8213465849070960     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.75831299698011323      -0.47334282902118852      -0.34161681218142631     
**************************************************
     Configuration num.    406
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6068139257567678E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3867954114140213        6.5320017790093878        6.4983497874757914     
   4.4647851784340755        5.8924552553240632        6.6137523815385002     
   5.7101914442277453        6.3000365999042058        7.5902213199474273     
   4.9311184049721737        7.4512370979671276        6.1255473025442777     
   4.9900811318988740        9.6919975554409508        6.4132014796115335     
   6.5966413137607214        5.6934674628713218        5.3650838541865093     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.412869533732419     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.89808230143087509       -3.1387371413031917        1.7145168135207201     
  0.40525639645933398      -0.33779506710367313      -0.93193118453841528     
  0.35832227956845686        1.5596723918126871       -1.6380990062036203     
   1.1536928509461548        1.0621129202644866       0.24564809421031861     
 -0.17351896635588659       0.27647812430589769       -1.6655152367934495E-002
 -0.84673471242676501       0.57634836694969793       0.62590786490782302     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1088055451280594       0.79248158561950000       -3.0113140244910501     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.86091609390525048       0.52946843540000277       0.91333164285268420     
**************************************************
     Configuration num.    407
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.6068139257567678E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.0862930195323850        6.3284203295556374        6.1303030016864071     
   4.4197158222934272        5.6219757061625062        6.7406093767622846     
   5.7779796983810998        6.7610565404550362        6.8754625889772374     
   4.5566585267942763        7.2729738657420606        5.6571119795242204     
   5.2141464595181750        9.7999861650085762        7.0266789010384487     
   6.5140674861428760        5.6530643369787734        4.9954774219335043     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.387837399151291     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.59821177127892922        1.6270831988708012       0.46453513925893825     
  0.79873646514678243       0.20072210916213504       -1.5851666822315140     
 -0.47663560836689844       0.21661919311983721       -7.0937146449970956E-002
  0.95308357022949319       -1.9771472975088709       0.54831135438829492     
  -7.2903007388624486E-002 -0.12730098390610159       -1.7820155847735109E-002
  -1.7992096784465399        5.9460922480076103E-002  0.66184372113917123     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.1724677240890298       -2.5506491713934158       -2.3749973082337910     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0544888341663505       0.93540676264012501        1.5421375345541877     
**************************************************
     Configuration num.    408
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5949135967020891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2926637095370070        6.4015850471380311        6.1670519522474443     
   4.6987508022943034        5.5163550231747314        6.3539964287460151     
   5.6097228576281504        6.9257706500868785        7.1582820650789394     
   4.6984009669964513        6.9264709143981218        5.4184494346257228     
   5.2015740247964226        9.8379187350777553        6.9007163139818228     
   6.4282335610235437        5.6227716471994782        5.1476277059992253     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.415877265015748     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4482737798210712        6.5355923270200261E-002   1.2416253096926277     
 -0.83087072092258396      -0.11576514271348425        1.0651314567709502     
 -0.21227011479838925      -0.41649313259280857       -2.1008427342633897     
 -0.12260668183605221        1.1683682610188375       0.78978323556387997     
  -1.9573216081833010E-002  -3.0985897202220690E-002   5.8548111390929240E-002
   2.6335703257678631      -0.67198849593316168       -1.0546588366894678     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7227304454420027       0.46159191526484544       -1.7454153341741667     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4023176822015515      -0.59105816771357356       -2.7450387559083014     
**************************************************
     Configuration num.    409
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5949135967020891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.0385058777315237        6.5229465062181973        6.0999408859227824     
   4.0247943206099350        6.0334580718526398        5.7642690835672026     
   5.4414164221034653        6.4147309048959551        7.0655771355630215     
   4.9997123505746570        7.7907796159974101        5.8062038063199433     
   5.3128297110355147        9.6333843234526526        6.9377145521060983     
   6.4641162228040496        5.6879903308084190        5.1666129567088248     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.327970638658829     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.99189344518487976        2.2635497877580453       -3.6798716161221670     
   1.9094389797259248       0.46896304344604101       0.98312574606096170     
 -0.33472727070181729      -0.12068654090577512        1.6178286799894037     
  0.37854595520912421       -3.1103783266276714        1.0585570935044930     
  -7.4076301696034047E-002  0.16196591046591186       -4.1363523346459971E-002
 -0.88782369477418188       0.33572291689736666        6.2133806912593445E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.6241550385633023       -3.9382548598830427       0.26961324442382845     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.12798652440894051       0.42292129155443742      -0.27037480536025732     
**************************************************
     Configuration num.    410
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5949135967020891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1365869887000626        6.7272874489564876        5.8673246317452685     
   4.2874326548093995        6.7517517038088863        5.1843416550627941     
   4.8080579545070492        6.3896013402606329        6.8467785661558960     
   5.5161468545495893        7.8735116324111427        6.2332512224369694     
   5.2733850271880502        9.6006860266280931        6.9297647852758661     
   6.4538920575793615        5.5639198521226350        5.2953047808008993     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.640776462730400     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2249250989724270        1.7222470186357290        1.1864359106662792     
  0.10531360084441511       -8.8509269569337662E-002 -0.39467908687900805     
 -0.21107030711844593      -0.68183597504235949       0.21992991129242601     
 -0.49139236606187070       -2.0147082571764985       -1.3843961538409923     
  -4.7980963301871770E-003  0.57902324468978428       0.28222343338989125     
 -0.62505182920739533       0.48305583311463157        9.1315762663047112E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4793378524179417       -1.1909835249987664      -0.29287782370743315     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.23691661714594139      -0.93436206502678565       -8.7275596897621419E-002
**************************************************
     Configuration num.    411
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5949135967020891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4390137076957803        6.9010962459739185        5.6379279485242018     
   5.0194376957516011        7.4472745757313721        4.8027127525634326     
   4.7390530328959120        6.7326242063807475        6.4521413203851719     
   6.0285211398268617        7.6491792455733201        6.4446605869449307     
   5.2264413383131210        9.6602089773251141        7.1349648405484016     
   6.2657655143077724        5.3536488443981360        5.2315514492814064     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.491777382303326     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5363842237487246        1.5244665620533870        3.3682218295643924     
   8.4629528338647328E-002  -1.7016478105686753E-002 -0.31930558339446324     
  -1.0880814580660894      -0.72251013754159121      -0.41545992599494208     
 -0.41636963958299544       -1.1570641430060653       -2.6225249003286963     
  -1.7927173751279158E-002   9.3201950600160496E-002  0.14321117470203018     
  -9.8849779714561409E-002  0.27826413970677477      -0.15254218423809568     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.15814670645317300       -1.1414500315048128       -2.2579037483460804     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.5346249320186728E-002  -1.3677238703618304       -1.1731091543699210     
**************************************************
     Configuration num.    412
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.5949135967020891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3302374684765459        6.9482398812159625        5.7804030031282174     
   4.9422544775029182        7.2994794702793033        4.7882056365523313     
   4.4064875467817677        6.3232285876375984        6.1007846873178195     
   5.9421126327996117        7.6557503971084016        6.4714620237436877     
   5.1938522118878865        9.6341725938441449        7.2602406893827744     
   6.3911857200442812        5.4258374882730944        5.0962618179256660     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.538785173811902     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.83579720884479658       -1.8038279526277434      -0.98858513319300911     
  0.80648755805404126       0.64841152093413090       0.80775305437119349     
   1.5451227748019394        1.2478282336992910       0.62302348172549871     
  -1.2727408752229434      -0.99412787674301795      -0.98987137343408960     
  -3.8026326632514254E-003  0.10851515678793736        9.0127398111497919E-002
 -0.24047512796257559       0.79334647053545260       0.45696621048890468     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.0767086779936061       -2.2702860100892144       -1.8296987407704728     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0785411117589441       -1.2223707518079294      -0.92930375496084372     
**************************************************
     Configuration num.    413
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3636753044066503E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2062768536001522        6.7108900532272697        5.6118252739838645     
   4.6341918043269317        7.2495167806969993        4.7640238881175190     
   4.4001353775143039        5.9268419208071554        5.9292580977757163     
   5.5145085168463952        7.5596042851078833        6.3939383270907157     
   5.1639474773277021        9.2460512214198083        7.4111301826518003     
   6.5468052538842860        5.9555770779886537        5.0333117160557403     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.465711110619164     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.3619286326114981        2.0929954431214015       0.96392917289646163     
  0.90694374426142621      -0.39781691182069784       0.92602193442570480     
   1.3275773943871660        1.1782304287445458       0.17049169694805605     
  -1.0900813681156933       -1.4092065147542521      -0.89754331349919592     
   2.6064639326462077E-002  0.49341068324488019       0.35419497343718570     
   3.1910459784640084       -1.9576664906622476       -1.5164689233314423     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7038678905125282       -2.8966857582414809E-003 -0.37276070686449264     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.5129256617792501        1.4927573981495144       -2.7632617327498949     
**************************************************
     Configuration num.    414
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3636753044066503E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9008172797963949        6.6541854325480267        5.9456599282911045     
   5.3658842719972704        7.5181593421365251        6.3096139083467948     
   6.1792890960403648        6.2501523571164714        6.9866383832935028     
   6.7732241456268110        7.2386145845344263        5.5724891729122730     
   5.7635009843221994        9.5735900924633999        7.3293354794783303     
   5.2866483474891668        5.6166774197134464        4.8010068327581097     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.587916616395660     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7640657204150418        2.0340824154756980        3.2732136002649148     
  -1.5579992270797800       0.59908261121471673      -0.33098321681207910     
  -8.1116620016378843E-002 -0.37242577056576881       -1.5077643902123392     
   4.0497811793187420E-002 -0.72582200145374243       -2.1320653205575909E-004
   8.0939922124211409E-003  0.12532121008861091       0.10102455844375832     
  -1.1739568651217041       -1.6587770335419980       -1.5355371794824766     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.90410187343343085        1.7992741032048172      -0.26574724987354392     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.3974090440166929E-002   2.0036849362356182       0.64220098629682443     
**************************************************
     Configuration num.    415
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3636753044066503E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3210318678584851        6.8895809724285879        5.6204829659949951     
   5.8494294734028216        7.5931333826890484        6.1498435101840130     
   6.7297441168929257        6.1107345192638949        6.2438521169959680     
   7.0399120627882068        7.4414445697850251        5.0795887783415949     
   5.3241348541359201        9.1971653475474344        8.0972309965469478     
   5.4369007221430001        5.8977398375680172        4.3007199448679163     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.659207481820658     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3611525855572113       -3.4897770423039911       -2.4919345655231586     
  -3.2588415497174261        2.5494635351588504        2.2569692008597544     
  0.40414541064259035      -0.12665368538223271       0.36768519150559925     
   1.4105971808110960       0.31470916487535877      -0.80831283382352459     
   7.0091964046187255E-002  -4.7570800617644085E-002  -8.2850716976052369E-002
   1.6044178750502409E-002  0.79879469130035519       0.75889278044829356     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8470128986068755       0.59199917928530699       0.17655097842649053     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5536215620145699      -0.12156321948929522       -1.9168309952830267     
**************************************************
     Configuration num.    416
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3636753044066503E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3726077087295030        6.8247952064986981        5.5455184494037937     
   5.6947233933741961        7.5748523361074902        6.2644742311373784     
   6.7466004723362154        6.1576420345438736        6.3298047978586558     
   7.0666281173588370        7.5597134653707245        5.0074599683057555     
   5.3412192506164278        9.2115931575894177        8.0914402818957534     
   5.4148818280277915        5.8886870416982466        4.3174146857413236     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.689919742784927     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4872930500975881        2.8552499484009446        1.2873735453464310     
  0.93481480351062662       -1.4211163693097180       -1.7474209790994797     
  0.66079231383470072      -0.21087280074175482      -0.56662495933663282     
 -0.45443747479365454       -1.4056665692419119       0.70881075592836396     
   4.3301848666285184E-002 -0.13320975547423516      -0.13975816269449118     
  0.30436858114926058       0.31612856890625535       0.45835175514471227     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4897419189591610       -2.7965752748328883       -3.1441483249905389     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.23337934741733249       -1.1193198952183370        1.0742707282614676     
**************************************************
     Configuration num.    417
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.3636753044066503E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2798511206517569        6.9137880104678633        5.6757540209421888     
   5.3217209851320941        7.4139319775819796        6.1523517630961573     
   6.9430697849928888        6.2315388043474105        6.1383110775796403     
   7.0364128902244314        7.5679101264854651        5.1218880380658556     
   5.4042110379802395        9.1755119923037860        8.0770374598231953     
   5.4066411948760651        5.9035123229107471        4.3090406772069620     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.575785774398128     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7794487554156959        1.5802741896377115       -2.1338208455003453     
   2.6344030889473600      -0.60676957591247593      -0.10588739394918145     
  -3.3803629773891332E-003  -1.0819102730167693        1.4222852519207985     
  -1.4774702031355413       -5.9282687523179500E-002  0.51044408209049608     
  -1.4640646399951258E-002  -5.3472746747754922E-002  -6.2750566719462164E-002
  0.64024472761405760       0.22047314332809473       0.36956361224671708     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.4195001446248776      -0.37660446587638624      -0.67438621058477177     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.30721151157386778       -1.1402975420180534        1.0567951206192243     
**************************************************
     Configuration num.    418
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.0572702746748362E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1680728565869156        7.0337921247231634        5.4554877590365773     
   5.4770544101298331        7.5514901352182333        6.1358017581299613     
   7.0684869330885034        6.7357739067662257        5.8444976022392749     
   6.3002147519449618        7.7266536065602818        4.6018159774934073     
   5.3447769658485020        9.2887943137240949        7.7449164590177277     
   5.5553303086242440        5.6592533175190045        4.8094791754108019     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.562230641816768     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.88309025659659413        3.8233525442866103      -0.70790137460781954     
  0.29175200048907146       -3.9515205332318962E-002  0.52094562311963877     
   2.4836798212201932       0.10447437473919190        1.5384503647948751     
  0.39349473943798396       0.17121510669035284       0.39449273264572499     
  -5.9329242670174580E-002   9.1243852532367942E-002   8.0172451102373046E-002
  -2.2258631760005421       -4.1517657227205085       -1.8261519509738771     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6720180058786198        5.1605057267088812        1.3537436213591376     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.4294570428099682        2.5394879190878052        1.9700841694759332     
**************************************************
     Configuration num.    419
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.0572702746748362E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6794215417371667        6.9972902992197392        6.1373129128714821     
   4.6070237668078580        6.8580013087133906        6.4931521032742472     
   6.2051800483061150        6.8694525534402091        7.1546512762892140     
   6.2526646228857725        7.7468529761412395        5.5215026020789733     
   5.1599729336349771        9.6762135521253541        6.7672698792388815     
   6.1066122572712089        5.3450822292636051        5.2642316560208986     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.509729039408509     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1077034311306602       -1.2786478743603253        2.0456945623267542     
  0.98026005600762822        1.0229217957121046       -1.5372045787211528     
 -0.22929055580050295       0.38224189521556295       -1.4036446800726177     
  -1.6604068552206912      -0.43693383359976234       0.63048271978394810     
  -7.2624641918258653E-002  0.30404627136454943       0.19101042315965849     
 -0.12635652404222064        7.5129601082887945E-003   7.3191540164694702E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.5013803636181322        4.1933479222846744E-002  -2.6271329008913420     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1932292096567712        1.1016029887087291        1.1118733451788403     
**************************************************
     Configuration num.    420
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.0572702746748362E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5465743692298277        6.8501123093409264        6.4060202347508550     
   5.1764695158140857        7.6688370682817171        5.7647293778449402     
   4.6089796595376020        6.4645740962790832        6.8161625404381603     
   6.4100190939376871        6.7754671212565274        7.1769568877795669     
   5.5759354403967594        9.6822880112135010        6.7304783038138796     
   5.8337470360375381        5.4526644154902453        5.1435862038100471     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.459676859686397     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.31179937246116229       -1.7885609125914317      -0.13316224962666126     
   1.4294275836604309       0.28111225271327822       0.60839980086151135     
   2.6227401776051894E-002  -2.7256373366422375E-002  0.76856927381541729     
  -1.3532691224815443       0.87688317646740255       -1.6515028812086368     
  -6.6959812647799488E-002  0.66410105242376916       0.23740296756132226     
  0.27555192560743152       -3.1876730672598034E-003  0.17220479749299297     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0498306852094119        1.6579799412099658       -1.8848172124737903     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.64210132363637229       0.64234898198492762       -2.1293990021857083     
**************************************************
     Configuration num.    421
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.0572702746748362E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5536193152568005        6.7453472431577710        5.9487744797489031     
   5.5976331069080594        7.7976656362890218        5.5709321872676965     
   4.7993601940036728        6.9011171793070742        6.7660563151385125     
   6.4331973908141125        6.7780546692645256        6.5638303301321121     
   5.8611584234645884        9.8280821526118523        7.1617272769873255     
   5.4745244891394123        5.2782830293947729        4.9639407242034634     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.711830152670927     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.39956941814573532        1.9285130683537886        1.7981297621015393     
 -0.21804305130362467      -0.69354634955211425       -1.0714360708374118     
 -0.27713249615022373      -0.88224680975458292      -0.82656107309918958     
   1.1187008275831896      -0.61365990750944399       0.19543120822912785     
  -9.5960960881626804E-003  -8.8515100584013809E-002  -2.9302374561128445E-002
 -0.21561540912551386       0.34777900615387419       -6.5783890512584667E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.56044356997271105       -1.8522375378984741      -0.60793191266764690     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.8138088817104045E-002  -1.1899571005948149       0.68114308496442666     
**************************************************
     Configuration num.    422
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   5.0572702746748362E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6369626605822569        7.0507084816986243        6.0174528593738881     
   5.4827062147306629        7.7616959990420327        5.2471514911335069     
   4.7463942268682748        6.8558718212110890        6.5517119426450714     
   6.5306704470977976        7.3143321070564671        6.6470959233548514     
   5.1734595838836936        9.4548665865928267        6.8393568565323273     
   6.1419328678682490        5.4967036949565387        5.3143635487975702     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.664037707099400     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.1226974683884596       -2.6978366499333876E-002  0.90543904484152815     
  -5.0505317795252282E-002  0.54573286104639918      -0.83053298716098056     
 -0.88477951135689470       -2.7335195634092865E-002  0.81811258578898405     
  -1.2149285178427813        7.5258083077850937E-002 -0.40723153280986407     
 -0.32515749118163539        1.2469371064458383       0.51912915604001786     
  0.35288957980746849       -1.8128477042814399       -1.0044097560709793     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.50794285036687514        5.4853424022358732        1.2753507247532205     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3737500400891016        1.7771098942238304       -1.5734668322189791     
**************************************************
     Configuration num.    423
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9254323312537700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6439670777335014        7.1062343507463384        5.9864707213726014     
   5.5546186198559200        7.8569286922894630        5.1537388969022730     
   4.7172425046181319        6.9348814307559090        6.6269855013539738     
   6.4192192312248952        7.3103638493734611        6.6812288302949723     
   5.1618757562388113        9.4319730523906280        6.8397473297320861     
   6.1588937320851453        5.4815745683523449        5.3226648921961903     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.610973154815152     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4898979003530632      -0.13932634963855772        5.4722524379427089E-002
  -5.3698718737875649E-003  -1.0198909651336947       0.85895258106632533     
  0.85418512160926663       0.25269812434919847       -1.2705340156237537     
  0.86004188673204773       0.55741437114586523       0.37232787381788229     
 -0.34899323606825849        1.4409522601317928       0.61551239217790754     
  0.12862856068110254       -1.0932368921385431      -0.63107878556474173     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.43174983502146480        3.8469413938144670      -0.81476132369166865     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.89491985822058406        3.0918659127372732       0.70125306509218943     
**************************************************
     Configuration num.    424
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9254323312537700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6972793483907784        7.1465260135129052        6.0155630179778612     
   5.6321170867186972        7.7961866099051731        5.1722113438297193     
   4.7926699797325929        7.0506739874976594        6.5086729542241617     
   6.4413933032163451        7.4078557883556480        6.7604770591844758     
   5.1095242710391027        9.4469140667446432        6.8240739338713681     
   6.1734280018520478        5.4357726165643232        5.3308054956479642     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.708506336098708     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7034247820053954      -0.66774867692379691      -0.30891142219745371     
  0.20334751593923381       0.25899338771998548      -0.58891701006280506     
  -1.9855854413971010      -0.57953664107807323       0.71767790366267503     
  0.42416720508390920       -6.1492985619224505E-002 -0.29276457186176852     
 -0.37085369262760148        1.3081489518831888       0.51603641081596319     
   2.4600345368273234E-002 -0.25871443107114112       -4.0697722245156179E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5850760523498060        3.1286833122398354       0.45250111712138769     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.39756700732754324       0.63296205471345024       -1.0543495020079152     
**************************************************
     Configuration num.    425
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9254323312537700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8023781275026662        7.1244168052466224        6.0664529250990613     
   5.7060311673143627        7.8018893624081613        5.1705652560641377     
   4.7256451015671646        7.0666374015399978        6.4526637838559795     
   6.5706096821745099        7.4844766935922973        6.8032937627916876     
   5.0694239785934467        9.4821594621731577        6.8493084320862510     
   6.1625660693388440        5.3969282425827503        5.2900043470416742     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.682769220485852     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5799449529785121       0.55912499586284325      -0.77460696800949780     
  0.55977329829289579      -0.71685084823008249       0.85113678196338816     
   1.7284072766564196      -0.24309678190137454       -9.2974561910501186E-002
 -0.64658387888366797      -0.79242500507628588      -0.71845419748937223     
 -0.28015038909092371        1.0127295931724070       0.39367705183334484     
  0.21735980586145928       0.18013235834420349       0.34187001410787510     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4821960910168963       0.98775381033677756       -1.6922632469270378     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.87847680809540962       0.56040138933149808      -0.63731844911153124     
**************************************************
     Configuration num.    426
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9254323312537700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0931186690645083        6.9020516783675019        6.0569625482792109     
   5.6440584523038195        7.4790175604118243        5.2707913068409340     
   5.6524702616998184        6.7112246013067969        7.0800214094399205     
   7.2071892303666605        7.0808494030624081        6.1038839692760343     
   4.6956742914214340        9.8597065713704559        7.2139002768556324     
   6.2684170563174666        5.2167826257833649        4.9254489839410702     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.539719878305274     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0704404294640564       -1.6497180823829312      -0.21972998916915476     
 -0.70842987235386556       0.67745306283088358       0.39063434068079145     
  -8.8621376981098572E-003  0.17056831716363999       -1.4463562946947373     
  -1.1543015380918247       0.22757594316467136       0.24080870478052591     
  0.11502182452144966      -0.21740489846791836       -4.5490101149516127E-002
 -0.31445252844375116       0.79202533582113110        1.0821628010556363     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6176287394066524       -1.7175104454998502       -3.3144909830705775     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.29518589282200886       -1.3938473850410531       0.91205504779004665     
**************************************************
     Configuration num.    427
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9254323312537700E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1432286698967058        6.9263198586645141        6.0414696333912472     
   5.6631872620052395        7.4386446303847240        5.2208393820986405     
   5.7563389776299489        6.6501889537741876        6.9839691635858694     
   7.2082539897211282        7.0050860136457107        6.1154721182377942     
   4.6625848729159936        9.8797667254210602        7.2545878739870542     
   6.2705324991384952        5.2084902418610461        4.9051757237418574     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.414876745351652     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0368916176713687       -1.9380340399751996       -2.3214714519459507     
 -0.40260605213441869       0.79333565496563552       0.72952821720586414     
  -1.2883555030273643       -9.4595987203754561E-002  0.75915590341830586     
  0.69984597109184687       0.83696978719296644       -2.4007233152151725E-002
  0.13237422552665662      -0.22953302912260826       -5.9796526674263051E-002
 -0.18127217737554752       0.63064034503068656       0.91692260263720793     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.56974175537809713       -1.4340112314747595       -1.4376289128688822     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.89063257632245363       -1.5560725013773609      -0.41584184789328776     
**************************************************
     Configuration num.    428
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9217008314855891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1491887828915406        6.9015829605089678        6.0468156718924675     
   5.6606648171966159        7.4854436613920861        5.2668095109091668     
   5.6473919180033230        6.5590547027044757        6.9391447379911675     
   7.2320948644577374        7.0586978769999407        6.1308411488604273     
   4.6588368100544510        9.9079040233907705        7.2516983554004968     
   6.2821480937071872        5.1876868313078814        4.9043907943609097     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.596987285508249     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.94770403556623573       -1.7424667724852072       -1.9470481488806886     
 -0.23220033301241960       0.38080452338267445       0.72564461136231373     
 -0.37742703039810455       0.26544783919468451       0.12412495261364252     
 -0.35258791055737371       0.37269471924812214       0.26655756473690562     
  0.12082647490882874      -0.22899653190277444       -6.4979632782758867E-002
 -0.10948162585001239       0.95177652066255825       0.89668561387430235     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.79264632856356643       -2.2366990550552703       -1.9195707804892135     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.50942295837106422       -1.3009128728601618        8.9707197380147666E-002
**************************************************
     Configuration num.    429
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9217008314855891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0098631287892665        6.6938500043163591        6.1022057500772409     
   5.8366805942382509        7.6942296905252832        5.6797322888068411     
   5.0839164595326940        6.5931011551634287        6.8052345365228506     
   6.8135013976331598        6.9783093251548491        6.7528036392783672     
   4.9312177882850090        9.7152556608304135        6.9835056372239315     
   6.1479120686381830        5.4323845216498263        5.0521651982490781     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.595273206825372     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.8407998512375201        3.2232455228869892        3.1327361763928621     
 -0.37909736415018203       -7.9536108635945069E-002 -0.67920526247907653     
   1.3643630435315917       -3.1524588916498800E-002  -1.0412843490664863     
   1.1954482149939618      -0.72907853171953940       0.55328605522067520     
   1.3988445691765113E-002   4.2153633836797620E-002   2.0917473598477190E-002
  0.64735976600302603       -2.4226711856854264       -1.9866359777848079     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.67552768494522575        2.3535567011612426        1.3706004408960699     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.85101343191743828        1.9699480462687067        1.1260397964610855     
**************************************************
     Configuration num.    430
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9217008314855891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9664942005581363        7.0553274627114293        6.0091986627525813     
   5.5581084612015488        7.8857201872621348        5.3398279588939790     
   5.1753297395950497        7.2321139262708138        6.8303337606358836     
   6.9359076117141685        7.2666178113022424        6.4964706344700147     
   5.0344595434469097        9.5199826731867034        6.8866248278899471     
   6.0666688679725853        5.3789633855593060        5.2449944623905482     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.654617241921411     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4053667189245398        1.1558217425071851       0.79733064833378398     
   1.1292865386283739       -1.1921470556703977        7.3681198338710591E-002
  0.87166730012993554       -1.2043740801206035      -0.82484118256668149     
 -0.19878102898322117        5.7040666817546513E-002 -0.56558328840979344     
 -0.24232388625964274       0.84903692344597281       0.34604389926940832     
 -0.15469655796973755       0.33637284374208959       0.17306317338574134     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5639433099137243        5.5662336354279626E-002  -1.2689140085802990     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.67446565930651614       0.29461925499483671      -0.20629033491089063     
**************************************************
     Configuration num.    431
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9217008314855891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7150336912233781        7.1077582428514523        5.8999537925039123     
   5.7516244194882766        7.9033568080470369        5.1779623158569654     
   4.5712855489771975        6.9460063092744173        6.3046862337175105     
   6.0507214098409126        7.1295878238953829        6.9547038408997404     
   4.9598791151709847        9.4526956561196975        6.9989081976382028     
   6.3726302771087369        5.4742383820416336        5.1955903973741693     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.370685494255440     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.3175394168728594       -2.1496391138445068        2.6097402641900742     
  0.49837932521862310       0.27909675956244667       -4.2173412143144970E-003
   2.0885051257655616       0.16213654851208908       -1.9036893885559494     
   1.1755185752973283       0.72114628087301924      -0.97088716796854602     
 -0.25443197649673899       0.62577017074724406       0.31697824298409694     
 -0.19102249116140946       0.35928389086608598       -4.7295853315890993E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2711664247065890       0.71973711880277602       -1.8073097599732799     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.14868663885076810       0.96709083661316142        1.4577228342673316     
**************************************************
     Configuration num.    432
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9217008314855891E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8402253854891599        7.0427231393464735        6.1180682918871909     
   5.2282145294883779        6.4954541385257709        5.3382482698003928     
   5.5462587760977016        7.1639320845530579        7.1653716780952621     
   6.5628300089334610        7.8665563618578629        5.9944838386737507     
   4.0124886616758211        9.3511931590821078        6.2448362981489183     
   7.1688807654478239        5.6488847612138340        5.8689137329485908     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.423067909969177     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1516463337020948      -0.79206951854245111      -0.54274067467875231     
  -9.2862688633902957E-002   2.0778262569093160        1.0312867253662357     
 -0.54754871853304488      -0.81884518105826176      -0.14087199005965342     
  -1.0640876711527318       0.11446859697765149       -1.0782032175172274     
   4.0897023986099706E-002  -7.2884839898860687E-002   3.1475055078542105E-002
  0.51211262944521008      -0.50658572254823153       0.69911905940923857     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.36783716437197694      -0.91031420292060239       -1.4628648196038270     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3348790516210318       -2.1875205470864860      -0.44505971214291762     
**************************************************
     Configuration num.    433
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8593119447637993E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8985706898306391        6.8917994306158326        5.9900628962474434     
   4.9421588661230880        7.0044300357632325        5.3592605748395892     
   5.8213300884825125        6.6792603442398928        7.0538525477086633     
   6.4363379512639201        7.8240190482840823        6.1512940840273034     
   3.9351279702539053        9.3592081245834677        6.3225787479089846     
   7.2419856868123276        5.6940578839465230        5.8270570792284717     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.421200419161774     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   9.0864757722932815E-002  0.82593622258675903        1.4293179326172911     
   1.5563825037314951      -0.59408960565822033       0.71928573761646486     
  -1.8015675370681192       -3.4772081582595218E-002  0.23893976596627109     
 -0.18196435684090942       0.65372815170695053       -1.0576420736470846     
  -3.2433624905056059E-002  -3.1779824747507200E-002  -1.6546545226967951E-002
  0.36870792493631738      -0.82024639911416475       -1.3127488039133359     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2405819515380030       0.95432838569209621      -0.69049073121810611     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -8.6224234049716991E-002  0.52909644253650689       -2.7580945796944754     
**************************************************
     Configuration num.    434
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8593119447637993E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2686052607687177        6.8942140410035107        6.2578904113130971     
   5.4946653295136914        7.4748533764813070        5.5615046842383240     
   5.6594884933260756        6.2137477235325722        6.8849155361562282     
   6.5736873200754129        7.8215081047149528        6.8121909154566751     
   3.4597596496557395        9.0506602001526471        6.5739620314934903     
   7.5324178333287408        6.0015170150133654        5.4066135750545659     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.790126439461122     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5688864326819338        2.2884245835031534      -0.61670315571624534     
   1.2434117545542103       -1.5362055074414582       0.75525644031423733     
  0.41918129802638776       0.26459638598605106      -0.13818409194777762     
  0.57632887302171354       -1.0560504887869582        5.6332855840024933E-002
  0.12984858530730936       -6.9805626267919002E-002  -2.9486429646950307E-002
  0.20329968206028395       0.10773401727584514       -2.6786000979801244E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4267191064875779       -2.5700451088543312       -1.0419166617856499     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0027301247569389       0.48900286780222418      -0.38100755881490345     
**************************************************
     Configuration num.    435
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8593119447637993E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9111793889529176        6.7062174523526759        6.2235612218561718     
   5.0946018925264438        6.3030471113918196        5.6572683088279474     
   6.2928852553947072        6.2018459034282891        7.0948490587943533     
   5.6044849077075645        7.6141516071964803        6.7652475858032668     
   3.7894262988427339        8.5993014839496293        6.7907640688037425     
   7.4068670134234749        6.6735139101330905        5.1722477948810761     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.522170366028831     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5010956432700469       -1.9945742426194020E-002  0.81083810789482158     
 -0.41376048732013648      -0.41549674904985701       -5.7962543508840746E-002
 -0.30191024439312575       -1.5577437398846996       0.36407929880173584     
  0.17608312041698093       0.97439028231071967       -1.3057515656330980     
 -0.79384180723651476       0.55538350838941786       0.30477145134357436     
 -0.16745525277173515       0.46212724790422227      -0.11516514082634728     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1147444849921648        2.1265174672370990      -0.57876002059659482     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.92701620815655050      -0.71243544980913009      -0.18198673156247697     
**************************************************
     Configuration num.    436
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8593119447637993E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9461500133357896        6.6467067987209161        6.2244914749877935     
   5.0886171450253057        6.4051353960459512        5.6346588095587666     
   6.3101180132711470        6.1160257436773620        7.0882338117571848     
   5.4685640042599468        7.5546022636251600        6.6345272576260301     
   3.7856302975132263        8.5969549353248507        6.8046713521718862     
   7.4128817100066025        6.7009050906774155        5.1760712261935060     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.538039737550662     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.74755264519389741       0.51843224021368894       0.35824048887499083     
 -0.47195413119712548       -1.4788431197922014      -0.43849056949811188     
 -0.54192864559479348       -1.1224439755082634       0.26524822076136806     
   1.0115916271594718        1.1388420925176079      -0.22578520185771112     
 -0.72048074337177903       0.49802047915172670       0.22830180884747506     
  -2.5633590402058287E-002  0.44533913645010537      -0.18889550977995331     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.78585427715406131        2.2312993843604079       0.14413325433346480     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -7.1538737558854065E-002  0.16326126165433746      -0.14428449819167458     
**************************************************
     Configuration num.    437
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8593119447637993E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9960718224048728        6.6538018781686468        6.2332322643103408     
   4.9875919468328505        6.3889799494035939        5.7589814060751188     
   6.3534632032914802        6.1001056957543058        7.0906163426617255     
   5.5469499209619046        7.6670270528645501        6.4185325599963070     
   3.7899179057235761        8.6148601625074992        6.8246586069263726     
   7.3893451106573318        6.6715307021278116        5.1631968437003852     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.584529055884332     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9102907491590795       0.68074957578440409      -0.55676728984508861     
   1.4437379122959286       -1.0362978693250933       0.19534737813860364     
 -0.61068242797885608      -0.22044916805127132       0.50629686379665362     
   1.1659060154368670       0.13604336805060813       0.62899274252765502     
 -0.57845034083282831       0.42533561472720649       0.14190216713332315     
  0.49001579832919462        1.4931439298386273E-002 -0.91365827911202024     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.56514910911073934       0.75675469238905202       0.90036114003167134     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4665914203445551E-002  0.50452344483749512       -1.7080187673908895     
**************************************************
     Configuration num.    438
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8558899813980233E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3000331724908012        6.6529472486757548        6.0648159999619367     
   5.6603289328593895        5.7947490780831634        5.6180821825530227     
   6.3199919798185098        6.6083829685020632        7.1538389449679798     
   5.4859705373300454        7.5114013630418031        5.8368633574608042     
   3.1934157110192527        8.1891375049184969        6.8479538135523219     
   7.8176238745781141        7.1247991840030700        5.2713497809859229     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.647560424459702     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.9745150885230935        1.4030625056886283       -1.3570339789890682     
   1.7532402579114539       0.63041535544408189       0.46980017212658670     
  0.52505880824749696      -0.18041037401843532        7.8492029498696186E-002
   1.6038539971104226       -1.2793351379054303       0.72419463730231726     
   9.2432907009203799E-002  -4.0916519824962139E-002  -4.8008069871579080E-002
   9.3463036085848761E-004 -0.53215593331577682       0.13050800196912252     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.7672248613643107       -2.3128483634144570      -0.90012808148275203     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -6.3503948614702290E-003  0.18852219823417027      -0.45629148948767789     
**************************************************
     Configuration num.    439
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8558899813980233E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0463997286232978        6.9957397672280477        5.7098224749327278     
   6.2180681327162688        6.2008559940568038        6.4797183496803736     
   5.4189906116874313        7.6264614632336309        6.0783773209482090     
   5.8196469601170078        6.5208183511856141        4.6967610256191188     
   3.2626291506014833        7.4866824542409374        6.4635069347395095     
   7.8354195534412270        7.6621993582039556        5.9288211819565930     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.294938781820065     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   5.3133649618609722       -5.7035973854925617       -1.5456687247358791     
 -0.79669143073244564       0.15537261710463957      -0.73369799745392761     
  -3.9332839801541382        4.4951605294065944        1.8421259315794662     
  0.54335684636905945       0.98264630095980765        1.0842014471129562     
 -0.53461385386942206       -2.9291886259315704E-002  0.10732704478189456     
 -0.59314177473329166        9.7158111551159165E-002 -0.75291789537512654     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.1991427928997909        1.5537431283439473       -1.5315830490839493     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5435650161047008       0.71746824511236884       -2.9006955504951710     
**************************************************
     Configuration num.    440
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8558899813980233E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0404902035486616        6.9095763185005330        5.9544889498483711     
   6.3026042765644670        6.1617865643573024        6.6910756961861866     
   5.3331449807219524        7.6988229510481725        6.1222482328949592     
   6.1773539789435379        6.5583121462938143        4.9462194730471163     
   3.1641692077411006        7.5971428635715732        6.2337826322779275     
   7.8956708589178790        7.5729435230919444        6.0187142753883647     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.572597467690230     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.1463469808461415       -2.1134724765547251E-002 -0.21191562523766228     
  -1.1548057648948225      -0.38970741591409769       0.31914293183991249     
 -0.46768501387084271       0.36965006283979684       0.33261597958243549     
 -0.88103431880925365      -0.42219152982196029      -0.49463678005773909     
 -0.40442198696526088        1.4633752931371466E-002   1.3251967179674140E-002
 -0.23828953003288900       0.44792336719651060        4.2491688607486977E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.40906559044374829       0.39519758634323970       0.18145168869570472     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.34032073761239617       0.21496971587993799      -0.15575146165952186     
**************************************************
     Configuration num.    441
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8558899813980233E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3307326525623342        7.7321248637415181        5.6031465426612188     
   5.7681852171038308        6.9019767791685585        5.9282901028599309     
   6.2304172063713255        8.6931706065049639        6.0999370577563878     
   6.7501420881193299        7.8748798168433654        4.5611318553994469     
   2.9690620462683501        7.4813145493276849        6.1034392364361736     
   7.8868836487842033        7.0658611459935328        6.4001143151579880     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.545214958894345     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.2115498150636514       0.61165396493545854      -0.49597987803894766     
  -1.9399970619780325      -0.30641152861758886      -0.52173001911563510     
 -0.74973076905575042       -9.7999700380439776E-003   5.2154533655412949E-002
  -1.3601989098172118      -0.41748731564946773       0.73604068610790163     
   8.3373397150832640E-002   5.9641804866455385E-003  -2.3687588119939082E-002
  0.75247177346026450       0.11473285353634238       0.25319169180856171     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1698811714867310      -0.45172389788735628       -1.2008127074018107     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.16064837650383720       0.39146377182316855       0.96886872525990830     
**************************************************
     Configuration num.    442
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8558899813980233E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9453473465475781        8.1446835274022522        5.5725717705746431     
   5.2630725111915906        7.8137358512433153        6.3109294701121481     
   5.8474417171884179        9.1384896977213046        5.0470800334501442     
   5.5638716425186532        7.5516613350491433        4.6970756805844358     
   3.6236244871237102        6.6416980107146708        6.3797618051681715     
   7.5969249783665207        7.6490626891134319        6.1944297436337958     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.402094511794989     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.68814474809887849       0.27873267132886292       -2.7680759479903196     
 -0.99088980590702591       0.41840788842009019        1.2298500350735564     
  0.64393525632118731       -1.2615411664933811E-002   1.4198986205748383     
   1.0145873129847347      -0.56501466920056376       0.58231221524777987     
 -0.98391133955145138      -0.58541203440413825       0.25924164373385927     
 -0.37218430177128492       0.46582489843995567      -0.72418261287124375     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4524953285371962       0.24590161885968648       -1.1022922421252854     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.8768296375524678       0.57177545152123299       -2.7486859923610756     
**************************************************
     Configuration num.    443
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8095005399806864E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8765427865019797        8.0490339876780688        5.5582486051046178     
   5.4054327568042080        7.7879295508458464        6.5099414267975888     
   5.9055351187696399        9.1466163282195492        5.4283714006382056     
   5.7413754296947745        7.2869369383363951        4.8615601619883382     
   3.6037631920432394        6.7326372612395122        6.4204791937292702     
   7.5974531234520084        7.6223905778454952        6.0745338460424563     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.348002542313679     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9909516609569262        1.2886002593779684        2.8246822992616543     
 -0.54798442224390032       0.22252167765751343      -0.53354240897756100     
 -0.36948475003335879      -0.53135142448973827      -0.82473833275372976     
 -0.99727158079155309      -0.51250992141836371       -1.7068558646067293     
  -1.2283425892937081      -0.62753249854913773       0.28353440001248964     
   1.1526743393116092       0.16325312839060030       -4.4875250114986845E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.5170705835401703       -7.9350532659006864E-002  0.36792426690757901     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5026172646398301       0.16190137698721452      -0.22444749143054454     
**************************************************
     Configuration num.    444
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8095005399806864E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8513981576943870        8.0176861019490691        5.6054800508100229     
   5.2081611705993911        7.6941075351658039        6.3905418063474215     
   5.9409886828353162        9.0790901080804876        5.3482524160444962     
   5.6687708149680818        7.2491465818801837        4.7732588996141097     
   3.5789914840306545        6.7262301507926576        6.4039877437744508     
   7.6571923288293107        7.6618858282125890        6.1074973174145004     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.458239324068924     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.6200299377022325      -0.83576721983641322       -1.8546992522785328     
 -0.30234484879439644       0.22239362641079088        1.0873865688911959     
 -0.55121485936329395      -0.11432770620628821      -0.26736845298239387     
  0.22901716228298877        1.4761351673991796       0.76677342509809843     
  -1.6172277074343580      -0.82382598559279041       0.34401917341671751     
 -0.37839714172741146        7.7577182402217060E-002  -7.4951914473834202E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6156469486370701      -0.79794661203208050       -7.4441388548689133E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4472049043519650       -1.5121726083885325       -1.6265532739201942     
**************************************************
     Configuration num.    445
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8095005399806864E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8547303684408485        7.9549588505414119        5.6169484617372332     
   5.0603782113220968        7.6694144639755173        6.3798413992517329     
   5.9536963662543680        9.0961790967807339        5.3690643628056769     
   5.6196104363672958        7.3383351408828332        4.7140176203342410     
   3.5498710070196089        6.7097753078510900        6.3907160886051271     
   7.7059703647087279        7.6903870173196953        6.1224267131082017     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.336898209084666     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6105335775358374        2.1611025480389525      -0.72595967202651568     
   1.2375203223770823       0.32065352348580983       -6.1024744054397999E-002
 -0.62936268882282620       -1.8110912460591093       0.19441501667781552     
  0.58068254686481580       0.39927325713370571       0.47660569231982752     
  -1.7871307662094762      -0.86690352986909047       0.36153510050882287     
  -1.0103738853605106      -0.20452482979433709      -0.24369107751240543     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.76193336472405271       -1.6790257270489966      -0.88005037004138942     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.98878666346129107      -0.40810350805085277       -1.2219331951100763     
**************************************************
     Configuration num.    446
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9761166662610726E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0658344050791495        7.9880429756058069        5.5826472971244554     
   5.1476924223675375        7.6582715795536842        6.3380238504263380     
   6.0974673954008942        9.1798471763741230        5.3726344514974977     
   5.6988492242225668        7.4640433455411817        4.6299067260861140     
   3.4100831007908909        6.6299312769907983        6.3849988734900691     
   7.7392266178685514        7.7366568224313061        6.1535698359233439     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.446236185669026     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.3180851173927830        2.3013829384191267      -0.14128266663785852     
   1.9953215805052786       0.61926389033146645       -1.1493881321250461     
 -0.58346930262786034       -2.4743754812207852       0.34287022288365260     
   1.2474709632266077       0.36644803073359722       0.93465387588791826     
 -0.43245755769304772      -0.16652126963407615       0.14095636750904708     
   9.2175015663474746E-002 -0.64415872065222601      -0.12936462883470429     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1636753766596777       -3.2148635545097903       -2.1659205888744499     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3309135565091983       0.12668877736206913       0.13844458516979621     
**************************************************
     Configuration num.    447
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9761166662610726E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0929555305338763        8.1630631865229653        5.5358337550758749     
   5.2363355672095846        7.8943535243845044        5.9925539601119615     
   6.1011767892269724        9.2007208678012642        5.2998812100181603     
   5.9219585961661103        7.4537724523667812        4.7537659399369829     
   3.3725384912449137        6.5842077381735242        6.4251432056562479     
   7.7319908285686356        7.6952535532024253        6.1624970386150633     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.481823515691762     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0161031629768607      -0.13413130002878298       -1.6760951095587187     
  -2.8125461243832452      -0.90559476691901497        3.6076255170989020     
  0.16577169374164388       0.88546833552225557      -0.60796670202654091     
  0.38181502225881864        1.3779945011720049E-002  -1.6752319724088602     
 -0.15232439236089493       -4.7945356988195915E-002  -1.8804752178082841E-002
 -0.59949279200473038       0.18693645178048623       0.37080170705941407     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3220851535417386       0.48896011121319433        2.4903300945330198     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0873694546147343      -0.51491909337042396       -1.9555666164375298     
**************************************************
     Configuration num.    448
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9761166662610726E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1804707716371627        7.7092399319346772        6.7424137679233507     
   5.9683022911230239        8.3374227146300104        7.5974867091314042     
   5.2990788720205639        7.7825281361267677        5.9025472634279188     
   5.9069249445821654        6.7152586216392658        7.1528311543110030     
   3.3624136627167900        6.6605588521903014        5.3719946919658756     
   7.7220754297145042        7.9659935344240242        6.2871236048955259     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.457179309997173     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -5.8528736783338431      -0.99065233892001192        8.3887275588382340E-002
 -0.46698294669858681       0.75862920236903197       0.22714079234609846     
   1.7774372716706357       0.11400698633238088        1.5050449606730454     
  0.71700662736030174      -0.19768555749121089      -0.35807210744420825     
 -0.10224609561139872        3.2892436985603830E-003  -7.0563838221477326E-002
   3.9286133531698280       0.31131619022451307       -1.3888600826217270     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.0614430606403973       0.18185077527918966      -0.97832569587705576     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.22691701835494626       0.29695770328452892       -3.0059891501187446     
**************************************************
     Configuration num.    449
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9761166662610726E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9259901759896225        7.7057622248117941        6.8429434037736252     
   5.8408544700246310        8.6099547795904030        7.5526244039989514     
   5.5757763598383852        7.7634672849324531        5.7773850727202012     
   5.9603636713524084        6.5851322272041903        7.0776671462523550     
   3.4197715166447660        6.5835652896113537        5.3180749274213452     
   7.7280637766824780        8.0302488650600878        6.3346487782742225     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.404648744566884     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8675047299589669       -5.2962352365817957E-003  -1.4204674874084844     
 -0.81144187394446576       -1.9170380569396783      -0.78910088111865528     
 -0.97412764639056848       0.29031327347906200        1.4197103327952292     
 -0.53736277033911883        1.7830041664343155       0.55856119656199898     
 -0.12176180406656448       -7.8268749154165693E-002  -6.0011230946623015E-002
  0.57806572246073418       -7.3759895099912653E-002  0.29462173943031067     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3713888356398214       -3.8701897476184861       -2.3722857080025994     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.12441607416759895       -1.0038585237397104       0.21708902613881023     
**************************************************
     Configuration num.    450
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9761166662610726E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9554283675096293        7.7150274017724394        6.7451399856716483     
   5.5303686426786793        8.3437932168331237        7.5996986491232370     
   5.0615901740871143        7.8552081236831484        5.9114801170394129     
   5.9455944884180854        6.6815764884416975        7.2338140343337818     
   3.4292084952122504        6.6158402640919043        5.2450890743998464     
   7.8033638490212480        8.0036327011344124        6.4027112720517412     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.436347996888575     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7091231347937046      -0.29829283256383154       0.85877798822672735     
   1.1880669675807634        5.4908808211163035E-003 -0.67309312905836838     
   2.3572931674140003      -0.89163707886597232       0.92689682648773786     
  -6.7334222508482727E-002  0.94465100945557801       -1.1980315704427822     
 -0.24148281635186891        5.1217847831814739E-002  -7.1238216548389369E-002
  -1.5283196177195300       0.18949443606896194       0.15609512954634835     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.7173855536769880       -1.5125217865310367       -2.2466056840309325     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.88757114414165472       0.98179594354157707       -8.7226469690386943E-002
**************************************************
     Configuration num.    451
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9309295725492037E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9395859049170996        7.7522406871322351        6.7709540615393093     
   5.5411030759057294        8.2531544737884328        7.6021103689387148     
   5.0858472790294327        7.7479129175110568        5.9744460392856134     
   5.8463290478525565        6.7743921698071938        7.1600749681722169     
   3.4356935167474614        6.6384559865115982        5.2181228794947820     
   7.8094977716595508        7.9802696315494188        6.4218753862063220     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.439167952710701     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.19904034013069472      -0.61762942598940840       -1.6529417764851901     
  0.20640210166193729        2.0594875714807310        1.4288469933681807     
   1.6451186427501756       0.23060554598104918       -4.3603008129933438E-002
  0.47045545832829616       -1.8170078740587161        4.3358129060479735E-002
 -0.23422704369429331       -1.6840439191971569E-002  -5.0186450179678835E-002
  -1.8890184488365336       0.16098115735917023       0.27566651377508655     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.4291784485342536        2.1026733834987601       0.57366624506940023     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.49305903323556965       0.72790441455206967        7.0267872390327807E-002
**************************************************
     Configuration num.    452
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9309295725492037E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9433219988064128        7.6825342207876810        6.8220432188584752     
   5.4778317983240106        8.3681018932897295        7.5847269629480838     
   5.3684771081214393        7.6589211622970677        5.6818974366545119     
   5.8613340128707110        6.6765747462785621        7.2902275966355310     
   3.4423951541685645        6.6638149939008269        5.2243513510357538     
   7.7750882311042062        7.9866340722246640        6.4186222807013191     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.493583071404373     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.89806932017876306      -0.38091686538791669       -2.4290802855941696     
  0.77473018646017044       0.13521056685433966      -0.88065850571487092     
   1.0305774605793303       -1.5805177837137779E-002   3.3205203887685633     
  0.29894258669498108       0.25933713996516128      -0.58269203505742440     
 -0.18035084559853087       -4.2056084205209225E-002 -0.16117354005276399     
  -1.0268250601273312        4.4385137283494303E-002  0.73591944917857033     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4776792571691657      -0.60234813281690691       -4.9318171235311103     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   6.6141671944738314E-002  0.26858870520623024       0.23870078701692238     
**************************************************
     Configuration num.    453
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9309295725492037E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9227932638344667        7.3475134033217175        6.0556894429223336     
   5.2849594179714598        8.2036870883916784        6.3163516380652602     
   6.0667009226320863        7.3123537211944862        5.0358425839348513     
   5.7210366105992732        6.4721659089725510        6.5701274066377566     
   3.5525997818517512        6.9767749504558605        5.0411614858284706     
   7.6306510845425448        7.8678889739837423        7.1586845311276468     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.626460704879268     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.23000376269594697        2.6584981257391176        2.2228447621014822     
  0.36622294727198590      -0.39487686840628033       0.14372594210416953     
   1.0967694821930143      -0.21893019010067719       -2.1720836921491449     
 -0.46301663974855917       -1.6821015748635728       0.78510720919702248     
 -0.34710504720054608      -0.16688319731967388      -0.22546083860355765     
 -0.42305566646476478      -0.19643656692310144      -0.75397502095993219     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.13675792171301679       0.44718418578547026        1.3726273536714146     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.53697100969188016      -0.73679434971119506       -1.2832322502009748     
**************************************************
     Configuration num.    454
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9309295725492037E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8901382635766097        7.3637727729429638        6.0643044447427714     
   5.2208956270720721        8.2319775843689964        6.1725243613980725     
   6.3147931077959658        7.2984176552001330        4.9942849882143481     
   5.7553139102701145        6.3598379554463254        6.5222134522582227     
   3.5612074374113556        6.9590004039262574        4.9852857486356399     
   7.6084760702927232        7.8912089695769554        7.2379636621151811     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.633815524454118     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3018201168434222      -0.25415274859352099       -1.2412363813751011     
  0.39955818661080078      -0.65512132298976322       0.52117717517578332     
 -0.48386960804739393       0.12376877326974882        1.7111571979819082     
 -0.36522021018508932        1.0543663284766389      -0.19011138810793526     
 -0.23023184619671067      -0.16308179201618883      -0.23287726541295814     
 -0.62201729646872228      -0.10664417936340255      -0.56628869769926571     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1190555165042055       -2.0406155178116197       -2.5640768195354031     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.46649738445433880       0.29267842899524804      -0.10655775228617817     
**************************************************
     Configuration num.    455
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9309295725492037E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9910192881431321        7.3528899046508203        6.0452070581992574     
   5.2006005580274763        8.0495259463658186        6.1779917095378654     
   6.3151195684675097        7.0776733949617894        5.0929161000040635     
   5.7435364998028504        6.4520523380282988        6.4845825908171495     
   3.5804264450624408        6.9723213932708950        4.9113469214961309     
   7.5586616853616562        7.9166615732623900        7.3108731917571701     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.524667769650705     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.81099655915281721       0.76927696035584370        1.6447469141356312     
 -0.14125457588785101        1.0655050301412858       -3.7861516299492934E-003
   1.0767398649604316       0.52604755392334523       -1.8301827048646278     
 -0.59446938907866820       -1.8838208156187404        1.4910041771135556     
 -0.32343831356348590      -0.19677548696082697      -0.26569216703718634     
 -0.83110766697304517      -0.28075058379441559       -1.0335029826251279     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.22236052560260541        1.4591108269525279       0.77472766147806449     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.19303125980093108       -1.2222319136633908       -1.8559485830720597     
**************************************************
     Configuration num.    456
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8308884710700391E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7132474145468644        7.7447115748271829        6.5724484510624350     
   5.7263954503048753        8.8048378528278075        6.0278678475649023     
   5.6319683590711618        6.8083865606737444        5.8493382843808979     
   5.2607549119684096        7.5444043925514626        7.4955713628435197     
   3.7026735804830997        6.5515751792468997        4.8108083771724957     
   7.6027437630845611        8.0265827911710641        7.0503183237489671     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.384508151857062     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7707385207942803       0.78576790350271308       -3.8040036266357395     
  -1.2531604791226774       -2.4867086615060243        1.2143453228885597     
  0.16824607754938198        2.0510832553573302        1.2094322647739189     
  -1.0470813548032036       0.28239121391691385        1.3553024865247179     
 -0.33985195528309653      -0.15470931013450381      -0.19043533662853437     
 -0.29968984551609823      -0.47806205269088270       0.21431905415653418     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.22083208940067683       -4.7192467668339075      -0.34621350774636106     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.88466453079655094       0.14891605947908507        3.6709299576436497E-002
**************************************************
     Configuration num.    457
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8308884710700391E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8136514563781088        7.7338837460970966        6.6131020182263551     
   5.3541613124111516        8.7577005102349315        6.0835645753598913     
   5.9339768774200445        6.9400343613714419        5.7166254507464327     
   5.0601413381540334        7.5902340164115056        7.3908448315390292     
   3.7121868921519425        6.5048980683202187        4.8346413671712956     
   7.5897724599058831        8.0622225490674673        7.0332176428176671     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.347879051987089     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.20182732584034249        1.6038613111757829       -4.3491586095033981     
   1.4348852615973571       -2.4073207502031462        1.0231893777895313     
  -1.0306822797711648        1.5596313926992638        2.3571123482810337     
  0.63498246386190416      -0.78241985490256383       0.50159892366753334     
 -0.25705556140219421      -0.10749366629044682      -0.16275458769880943     
 -0.57945805374433956       0.13371356778800481       0.63247084372346318     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9458652804864198       -3.6479575870718417       -2.0496838342051706     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.1320044662393594      -0.45214612244172564       0.79328636516124273     
**************************************************
     Configuration num.    458
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8308884710700391E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8580971760559182        7.8115420742146986        6.5036196268110862     
   5.2920395243035037        8.5434270774196683        6.1335079969849593     
   5.8893627946777229        7.0352387979610320        5.9041785063503394     
   5.2302617211414191        7.6983051813522447        7.4304420254173404     
   3.7327760968029500        6.4762834259929294        4.8403417061556775     
   7.5469742577765313        8.0657684284161437        7.0333452540451047     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.293143693326101     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.58534896678389980       0.42683365788259880        5.7087837503696370     
  -1.1688770625153992        3.8789877767117265       -2.4706274894992761     
 -0.26288352950796168       -4.0033626508495930       -2.7891642576807354     
  0.72987378284704740      -0.97094277798563777      -0.36460076496466781     
 -0.26783076912487291       -8.7508332319523818E-002 -0.14423650923249992     
  0.38574553078757245       0.75479413034115805        5.8684516980595347E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.93881710272232566        5.2994596167382202        1.7929817849283882     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.25091692058719761       0.55369455136483403        1.7546252021258393     
**************************************************
     Configuration num.    459
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8308884710700391E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0447613589110407        7.3640315611403802        6.1132215906369733     
   6.2255244026929448        7.7225977763709519        5.1615607931529475     
   6.5945174634648467        6.3733278276748022        6.1865954855519867     
   5.2814093839428349        7.6149447097432867        6.8105187132850338     
   3.4680353416047489        6.6601179108047432        4.9534334574635173     
   7.5578247261108684        8.2102404830879099        7.2002547708820828     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.501668739228307     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.9233679054256054       -2.0814678044426902        2.4069594445352465     
 -0.41539657990231454        1.3570553277184976       -1.8388295798632561     
  -1.6084305837526531       0.61936709429522629        1.6130225597698118E-002
 -0.89444370927539285       -4.4636056402104135E-002 -0.24139926156917246     
  0.17946956014404694       -3.5225889123487682E-002   9.6107253904277462E-003
 -0.18375696213834863       0.18415398800846261      -0.35150101753190238     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2430357565250314      -0.48388238247756876       0.58244348265859014     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.85319713397906527      -0.96633947440246737      -0.71105069080263661     
**************************************************
     Configuration num.    460
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8308884710700391E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2766243672661188        7.4391679923130845        6.1476315830223465     
   6.8381595426886168        7.0025014205204128        5.3372089186116662     
   6.2192439658167142        6.5449049999653441        6.7954398164134791     
   5.3116944817744249        7.8309260554905844        5.9789255098499279     
   3.3592430702505478        6.8100613732137738        4.9197339707242147     
   7.5578675671187119        8.0723605322698653        7.2276107766724991     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.460672313034593     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0663563135631700       -3.2791864683228829        1.5965503250335504     
 -0.16448397323401570       0.45171573989133607       -1.1086760699148099     
  -1.3589689451323359      -0.21630019090767083      -0.60025184522454822     
  -1.1698402376624124        1.2553931616244991      -0.26111817725852182     
  -9.1958216711722669E-003   1.7672648582584671E-002  -1.1172358609669385E-002
  0.63481906873524863        1.7702162628984379       0.38490579311339007     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4459373172573318       0.94797493142602285       0.40946677169729062     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1444995489506347        1.0809953020425678       0.12928291899944683     
**************************************************
     Configuration num.    461
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7874224380726207E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5734970971263325        7.0397012895195585        6.1736472892596090     
   7.0521570984123976        7.0194373750938501        5.1972178567404965     
   6.7069401515403992        5.8979680163935351        6.7829604742728318     
   5.4450544834604138        7.0987898088061829        5.9841752686065774     
   3.3678243608135650        6.8507862145545904        5.1133189467542914     
   7.3544944865552804        8.3206533670067913        7.0418222616867627     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.526544045313358     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0398070437470353       -3.9082226289861333       0.77384932477917423     
  0.18694774212624801      -0.44662606585199011      -0.22877785081937541     
  -5.9533461805300163E-002   3.1629017936051338       -1.7028174816493415     
  0.77054095132184286       0.46551324301051139       0.41257506794088294     
  -2.1949842620290275E-002  -2.3892532776395175E-002  -1.3848242490603279E-002
  0.16147507657658530       0.75092117930147650       0.75948415021838944     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.89044725698168337       -2.9032480622750412      -0.67904824071526715     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.29587718471909497        2.7242805656464428      -0.18905075284094991     
**************************************************
     Configuration num.    462
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7874224380726207E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4223380080814998        7.0264513052599247        5.8950603678434463     
   6.9086708328316133        6.8264112861015382        4.9394096511554260     
   6.4865845348952895        6.1591525060139585        6.5582214256219054     
   5.2556231453822031        7.1810529568126205        5.7077556110872534     
   3.4724446462086256        7.0873026922975297        5.2985658993425542     
   7.3635081587867743        8.0716544298500956        7.0365875833813778     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.577556469559340     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.97587658341684025      -0.94791914932397403       0.86280997456330188     
  0.57291728364634964       0.27317107587389217       -3.9890367869815611E-002
 -0.27667570844965306      -0.78259038490004118      -0.64060149650959208     
   1.5466107424712467       0.63676068701123523       0.49658358857390755     
 -0.96313518972421019       -8.1580242686144180E-002 -0.25128027589759272     
   9.5589621527323282E-002  0.90185445104994100      -0.42771663626818540     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.98419829238427303        1.0112026932011045       -1.2621086138955995     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.37532867266573261       0.16174918145170805      -0.32142211191801551     
**************************************************
     Configuration num.    463
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7874224380726207E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3725829175746496        6.9860143397486025        6.4280053315211809     
   6.9451218295379800        5.9063677060357715        6.1598636736722368     
   5.4462265021459961        6.8158757348311507        7.0034474415658741     
   6.1329068920760612        7.7164795666231667        5.6035948909300268     
   3.5002363028234931        6.9996662388512307        4.5521387534887277     
   7.3668591854278791        8.1422898779797261        7.4262810471223402     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.539888169568485     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.57752226635147319      -0.80975082210328708      -0.80004019743526122     
  -1.3492667997840866        3.1008193386920349       0.56493493682487761     
  0.26661313136753284      -0.20342865092557738      -0.31067163828584854     
  -3.9515958054818626E-002  -1.6616114165581672        5.8829968441803764E-002
   5.3509404612579949E-002  -1.0040111201792306E-002   3.0200852255383985E-002
  0.48853420751914689      -0.41724757037836757       0.45730837420645154     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.99459363410333446       -5.1416927507080272      -0.42497540007834039     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.7892352458861360        8.0453608097384686E-003  0.84538810819087906     
**************************************************
     Configuration num.    464
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7874224380726207E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7882515290372867        7.4697760747675392        6.2869014504479788     
   5.8690021105433923        7.6216040493840813        5.1962811737521113     
   5.4584548182238972        6.5510187721709858        6.5307336270015748     
   5.0842042645436809        8.1899825753256099        6.5907132677506173     
   3.8443621235809085        6.8159799941761152        4.7840059472887049     
   7.4590513188497463        7.9450212878912208        7.2928966464915055     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.479600185140495     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9022670666702404        3.0941500238139970       -1.3938797136043024     
   1.0155194833313983      -0.21175103676249826       0.52592815957634120     
 -0.35601489721498447       -3.4170457606225497        1.1261446015026659     
 -0.74113848362835255        1.1601716535241509       0.87132752379042144     
  -1.0827256948070145      -0.29894899324332225      -0.64478635057602207     
 -0.73677862057461163      -0.32663899177996603      -0.48455387544570749     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1351530051446768        3.0997769172530520       -6.7703253273149980E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.27615337086952768      -0.13360215404141612      -0.50909188772206171     
**************************************************
     Configuration num.    465
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7874224380726207E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7520821639627195        7.5219458056506134        6.2355608216085159     
   5.8606724251106712        7.6189364199784402        5.1550439915834847     
   5.4059046393679937        6.4476386662275642        6.5611511581133986     
   5.0586841627409020        8.2284818275643996        6.6601234844522619     
   3.8455124770870350        6.8326605141461156        4.8203376916012228     
   7.4799027736045911        7.9182875508395760        7.2673479115268966     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.485267418046078     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.19202091435403468       -2.1972569866430680        1.3147717794758729     
  0.86380735857778967       0.10865541333163543       0.29346364033496619     
   1.2666176352604683        1.9977295242460729      -0.54963694837236599     
  -5.6373331537989506E-002  0.51720363916978584       0.17640555059721033     
  -1.3016457882364756      -0.31680236580546128      -0.76141210203453991     
 -0.58120927634797204      -0.10956733337417786      -0.47317336442416891     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.78562366907929060       -2.0045726399515358      -0.30345001650001302     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.59887812918552596       0.98761990274568623       0.62232327951322663     
**************************************************
     Configuration num.    466
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8050684099076722E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7259691393415544        7.4993907946892726        6.2796830701587689     
   5.9680494760031015        7.6723020444404488        5.2565124128320306     
   5.5938066428324369        6.5424181193724857        6.5539259243729218     
   5.1824552887409627        8.3158400765017646        6.7621893339219916     
   3.8450161614412317        6.8210094799212815        4.8393537546166998     
   7.4419663139506191        7.9110091554104880        7.2112351719185135     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.580666737808770     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1266205027151084        3.8038035090760394       -6.5110983740145380E-003
  0.38744911005233107       0.12310190459939907      -0.46801129786381390     
 -0.60454104086054183       -3.1333843061155027        1.0591930438315909     
 -0.42275067943986894      -0.54521007305212765      -0.27063162751045033     
 -0.97050544449697518      -0.24263504149647686      -0.49064271028705869     
  0.48473773346134402       -6.1974226083193664E-003  0.17757106653387703     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.5171701761462217        1.9506709183871167       0.90503435330013993     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0612098863884916      -0.83922695986423756       0.98290189486996205     
**************************************************
     Configuration num.    467
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8050684099076722E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7108080800881256        7.4798468779095213        6.2491595189124736     
   6.1196446544657572        7.7510523669841653        5.2785216947852280     
   5.7104017509342064        6.3686427122107236        6.6320346795683713     
   5.2413190537281942        8.2677083696116220        6.7657101499119490     
   3.7698374525207190        6.8649181459411563        4.8990477738357159     
   7.4853813717410800        7.8898734324553574        7.1501890234428709     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.442953863670251     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7076556488450387       -2.6164917310999303       0.16647886370821072     
 -0.48317726432400149      -0.50773797376535057       -1.2854801255288080E-002
 -0.47586284381168620        2.4712971186231711       -1.0951258372080206     
  -1.2759849493208006       0.44839124092301341       0.48576016570423025     
 -0.50355350052102388       -5.7052618933648637E-002 -0.18978584448781907     
   1.0288630417115767       0.26141707941093062       0.64615864452900085     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6898797469423572       -2.7472721719470812       0.15337647545877145     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.11305689452472313        1.8112897003651400        1.1249852742141191     
**************************************************
     Configuration num.    468
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8050684099076722E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9236353637655883        7.5273656868751964        6.2739203510790018     
   6.0513693419838779        7.6515679302395130        5.1919630794707636     
   5.5129966332777443        6.5063353644740385        6.2668973525482166     
   4.9966477125916047        8.1528681382106818        6.6103543094540349     
   3.6423740835043557        6.9111323951354731        4.8698241472997816     
   7.5983223753962523        7.8362064895268677        7.2395148917078007     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.591247984631536     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5149295126356723       0.55680100621965201        5.9907222404751742E-002
  0.60745906599740718       0.68253297751398523       0.17049267948266564     
  0.72431028979411383      -0.31315392550299015       0.90883398931034676     
   2.0371282728342450      -0.52976144294507344      -0.17151699462732858     
 -0.54692576090297296      -0.13147288551092254      -0.34884763710102262     
  -1.3074608400211707      -0.26410401625277807      -0.61762587397299173     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1161438092406510      -0.47184076174356288      -0.80125539302671778     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.49050564115679657      -0.91222356100031798      -0.46075236618039633     
**************************************************
     Configuration num.    469
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8050684099076722E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1283322818468422        7.5604808503356074        6.2642409608650125     
   6.2561449256750992        8.0981836681942401        5.2851505947201849     
   5.9107440253033214        6.3784759304110645        6.1240598607212080     
   5.1611469629802631        8.1153538241272773        6.5980908974655508     
   3.7840783480929052        6.8408585034512877        4.6790334319563218     
   7.3007299324449209        7.8635301601421341        7.4405702591293430     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.482206303687008     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.9497623802336577      -0.96919357275951445       -1.6671044220658615     
  0.59451597184840810      -0.84528521123182843       0.51855166544410336     
  0.37598854908147883        2.8957312330031373       0.14314127021251999     
   1.1433448210269570       -1.4556043408202264      -0.31188748790846915     
 -0.41919700721424474      -0.11357692566058915      -0.34241859460517859     
   2.2549856081744468       0.48775933824507200        1.6603227987432823     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9739666898150896       -4.6230815825176403        1.2996903406154592     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3773698221132269       0.63113891039618197        2.8242863913411536     
**************************************************
     Configuration num.    470
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8050684099076722E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7508494270134047        7.5108266944593129        6.3305473467218594     
   6.2069618797134245        8.0804126108480272        5.4731536763742445     
   5.8372991778722207        6.4872805720097109        6.4055622210822714     
   4.8440950925691943        8.1624011368564577        6.6826593740747402     
   3.8114579993034683        6.8616898046028885        4.4512276589531394     
   7.4508434588108594        7.8439419830788655        7.5833986910041640     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.477215182265581     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -7.0411937369336930E-002   4.8701660174874233      -0.37360089976021832     
 -0.49193191085855642       -1.1924318536620127       0.57738582261683935     
 -0.38000773901008200       -2.0662344682172726       -8.7489261519746370E-002
   1.6740250736080571       -1.7329086121062898       -5.6131599120031177E-002
  0.10926907002492983        5.1171901809565094E-002  0.12798935280817780     
 -0.84311733123497634        7.0831798897067727E-002 -0.18749203496848185     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.4893342299931702      -0.28590622245221009       -1.3175207689558921     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.77167094358177857       0.21057657596199830      -0.30643706621483563     
**************************************************
     Configuration num.    471
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8369318030905196E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7568898031546043        7.7270078210052340        6.9478678132887506     
   5.1157121468144364        7.8060574451003513        5.9606561897332355     
   5.3958292653182340        6.7475564327988433        7.4249713109800899     
   5.8719652333474945        8.4077206377479463        7.7465347964214750     
   3.6642326175553794        7.4211046907455271        4.6160717933095885     
   7.6529823051703101        7.1851980614618158        6.9193645240312973     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.479604883236338     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.40351018589919163       -3.5691912342391272      -0.10029478846423120     
   1.1677693328487768       0.37078025585648899       0.72364553233061590     
   7.8008732724049831E-002   1.2034167357544545      -0.52141166729869404     
 -0.43590591152695363        1.4982973082935120       0.60661528369025330     
 -0.17931362461368941        2.7503730532490427E-002 -0.14413655482237894     
  -1.0361274947034771       0.46882549623496761      -0.56444399551983604     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.5221905426635818      -0.89938301755772665      -0.61087288327587241     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.31784341423541074        1.2255661844277235      -0.94973155842599999     
**************************************************
     Configuration num.    472
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8369318030905196E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8144488477268581        7.7693574130168139        6.8768686522662650     
   5.0032835290851478        7.2243074850753768        6.2050473635370471     
   5.2645373568058513        7.6761505372575947        7.8911718544572480     
   5.9780267194833279        8.8184642624764304        6.8503285587860558     
   3.9858122678893926        7.4730515886422184        4.5076444629448655     
   7.3274338644960171        7.0334285244005743        7.0727874543299922     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.381205505361777     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.8604351663674752       -1.2011554246754574        2.3730093392389424     
   1.8325011141089800        1.3661282648510504        3.3411769637261550E-002
  0.69114733335797196        3.6708287257068609E-002 -0.73682255069852765     
 -0.17281481115081493        1.1844295541914158       -1.0515487228488931     
 -0.62076159964053768      -0.12184845083743220      -0.62853193670004370     
   2.1319245740267978       -1.2670237817082304        1.0659291025752436E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.9271559986788533       0.81801212512019772       0.24193739377689019     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.4328820520220713      -0.80129664587847405        1.2348674601545115     
**************************************************
     Configuration num.    473
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8369318030905196E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8413096963991844        7.7665539095900860        7.0169173471669026     
   5.0687636895993178        7.4539950702869797        6.3405340592145425     
   5.3251913810207965        7.5808304799034341        8.1140100460895450     
   5.9311192782185111        8.8809595137948882        7.0320120349558373     
   3.9128241585226839        7.5980034552483859        4.1692631491429202     
   7.3823830878090666        6.8872153192040235        7.3027954759318412     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.517362723055840     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3054756414250270       0.78146399996678917        5.0547877731125546     
  0.13781744010661201      -0.75778881555264788       -1.5318765206776668     
  0.81177891210602826       0.47922412920736585       -2.2810215964398122     
  0.57067203041709513      -0.70981495198609401      -0.47863426587309799     
  -5.6550415914478548E-002   2.1789604160561069E-003   5.9245872224971047E-002
 -0.15920999610514350       0.20396033669409577      -0.82382243254452958     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.95777643013958602       -1.2857722257209541       -2.1997317868585782     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.54869755548029087        1.0041795477327025       0.81760876969297092     
**************************************************
     Configuration num.    474
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8369318030905196E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5889349512283930        7.2698203687184231        6.9495912751007802     
   5.5443089195952489        6.2831400820103376        6.3701054396670713     
   5.3392236137608391        7.3835504034627899        8.0829419863408560     
   5.3988938223555083        8.3139497272807930        6.4508555178455511     
   3.8524625699063102        7.5834049999757509        4.2840611603239420     
   7.5330576270009715        7.2884339748640690        7.2765447311940568     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.374704897848918     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7272927704494700        1.4838668363257479        1.1684975977020240     
 -0.76133609899480914        1.7360206315144000       0.81829532889458179     
 -0.38992254044284608      -0.88632597399940294       -1.9857457535458121     
  0.12043712179578991       -2.4409916569874746       0.25732055844789392     
  -8.1963046970941006E-002   6.9010891495157843E-003  -2.0612514287282911E-002
 -0.61409424759209785        9.9505101153175443E-002 -0.23876780542997514     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2065000593460560       -4.5464758199131294       -3.1049204508060781     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.73160962462511792      -0.71274160608985904       -6.7588233993957247E-002
**************************************************
     Configuration num.    475
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.8369318030905196E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6906751403467561        7.3516179010127924        7.1843096160701858     
   5.4840939110200955        6.2427463066560422        7.1451833249418355     
   5.3426290397493856        7.8770944969590282        8.0574487495950109     
   5.5877886475898144        7.9414116523563312        6.0836569051489917     
   3.8110589808209898        7.4329572257295080        4.2281969371038599     
   7.5250904327367429        7.4020747332510712        7.2097466652788631     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.509297164701820     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3211284108544135       0.34693862240626844       -3.7374497914907554     
 -0.36317586790971040        1.2729849225533221       -9.4961977255341445E-002
 -0.38041337759845306       0.22895120398784022       0.33667442987826413     
  -1.0218495198235127       -1.8389275815710657        2.8829135852708765     
   5.9237375346615960E-002   5.5779545293507787E-002   1.7763966621815806E-002
  0.38870596641964750       -6.5341691220714787E-002  0.59606818483558843     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.48727441771896718       -2.7152077617611927       -3.1761163991614820     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.34474057421664661        1.8573839706899335       0.57532348335529093     
**************************************************
     Configuration num.    476
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7536249811902291E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8891325564655252        7.2351274910869963        6.9923142185656157     
   5.4913012814071678        6.2765087379645221        6.4755389558370045     
   5.3021528490811187        7.2611750272788562        7.9626489156221627     
   5.3496578024259538        7.8577205547846871        6.2325157590908331     
   3.7340588461191140        7.4542311885963288        4.2916890564639312     
   7.5654766458178093        7.4953907587460709        7.2807536888959907     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.678006949935703     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.8504471616469380       -1.3225019589163141      -0.39955126049745338     
   1.5576096277305045       0.49840941250914422       0.82544374344210292     
  0.68900420797923045       0.21286941843401458      -0.75472565760460264     
  0.77254270917162315       0.66861286117246488       0.41381199271933899     
   2.1224662765064288E-002   8.2575771530316966E-004   7.3233483954003559E-002
  0.80959729363216659       -5.6900186702634636E-002 -0.15832735236113038     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.47670140608805261      -0.59678711069729240       -2.0478652803700266     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.71224617635507148      -0.52880452503233044      -0.52262703716805270     
**************************************************
     Configuration num.    477
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7536249811902291E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7805210530416007        7.2481426391796671        6.9727012249296001     
   5.4404746649600408        6.3453430815232306        6.4456508529111849     
   5.1573661373284621        7.1718315120572518        7.9549289039969224     
   5.2745564447568736        7.8320186075046365        6.3352164149121597     
   3.8000041511172942        7.4332848368647904        4.5015298735607132     
   7.5668709597827721        7.5171415425998820        7.0702133964792457     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.439609185488735     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.18339346275416846       -3.0796026220328221        3.2872767141469645     
   1.0855495385611829      -0.76675203312918849        4.7073569707005790E-002
   1.6376542065940656       0.49643607745756380      -0.91836370510262810     
  -1.3580985456988801        3.5734879473332906       -2.4197461141174257     
 -0.18980451211738786       -1.2764401583610653E-002 -0.13435705566869549     
 -0.99312395586910129      -0.20903938327891208       0.13647992478631979     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3244282183453335        1.9137331759902461       0.39591556658113475     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0213693986408914       -1.2592871893104767        2.0714555534673318     
**************************************************
     Configuration num.    478
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7536249811902291E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7181407764002650        7.2828912835360020        7.0480502570978212     
   5.7162366385818775        6.3346402965334079        6.4721952599792907     
   5.1963103632184531        7.0225846780942831        8.0127454662748754     
   4.9897385435345640        7.9716100893782791        6.3019631340175666     
   3.8687253960190868        7.4281395017612430        4.5068847336992581     
   7.5159111542395944        7.5128114195180187        7.0335650497759996     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.437498095011964     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9509009569927664      -0.56731228274198808       -1.9471655038634401     
 -0.54606156362924430       0.29272742253296624       0.15674350948273677     
   1.0046387598228745       0.66932992162280458      -0.21298700150876659     
   1.9816210720495502       -1.1654226121289915        1.5418696714793112     
 -0.23411731386062498        9.7779265980726365E-002 -0.16498543113845632     
 -0.25493925965155406       0.67287523303235819       0.62807568326231911     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1930071362480112       -1.5328387312936298       -1.4085274288062986     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4121962122344374        1.0002492862369823       0.35298051104769923     
**************************************************
     Configuration num.    479
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7536249811902291E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8964135073279609        7.5219600869666792        7.0561965278710383     
   5.4911419152650849        6.8019277109878447        6.3529532149866714     
   5.3820009809065095        7.4698517995200513        8.0793448435233923     
   5.5694626933298164        8.4617064234161905        6.3125818569995635     
   3.6372582125319459        7.3878081874821815        4.5134646871804014     
   7.6260200902487103        7.3136690960886144        7.0289666188963613     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.538286187861104     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2073483575746335        2.1414510057092220       -1.8041734539972138     
 -0.40528979552204458      -0.81470135243816799       0.18189322507599043     
  0.90623146329800031       0.29806386572183102       -1.2575056945718603     
  0.75845111117833275       -1.6794046313335089        2.3957430110531153     
   1.5513262350742900E-002   1.4899381532714511E-002   2.7962665959195454E-003
  0.93596054136898010        4.0879043448926539E-002  0.48286715095170796     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.62424084290158444       -1.4726980751947201       -3.4532908851387645     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.69770448305042421        1.9184454802137179       0.52890723459444033     
**************************************************
     Configuration num.    480
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7536249811902291E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9574559337848267        7.6115626411038759        6.4410908470851229     
   5.6427761925511932        6.5022292624031532        6.2968766777448906     
   5.8367708132050176        7.9960431381347510        7.4606689725085618     
   5.6705716809119719        8.2840804260497283        5.7077445670597271     
   3.3896270913928768        7.3490042369454081        4.8391032521807427     
   7.7731453875409704        7.3166034770996502        7.0560878520712285     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.287155548207469     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.86590403249998094       -3.7900885235853621        3.3745300591013523     
   9.2688061514327333E-002   2.2569579172603800        7.8935259504199135E-002
  -1.6518058169514691       -7.1558004860570484E-002 -0.33246130847594113     
  0.19489874798825749        1.2830056418651159       -2.0474258879508040     
  -7.4296453587999925E-002   6.1734938867121066E-002  -8.8231296463730409E-003
  0.57127424011399874       0.26079598626834855       -1.0646604803811268     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0045166079221814       -2.1772449944793686       -3.6331236230682726E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.69142448303047988       -1.1673171123650721       -1.2756040211327730     
**************************************************
     Configuration num.    481
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7516316244847139E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0210764853012471        7.6232106769664938        6.5093248101381853     
   5.7092537646310770        6.6541298451372528        6.4721551811937337     
   5.8058390439953733        7.7770632765355190        7.5247213131941049     
   5.6848802516134231        8.3346741622428855        5.6182787960298421     
   3.3857743249487444        7.3540970285358407        4.8575229140147318     
   7.7498195248549724        7.3094244759343443        6.9976428490066453     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.128658120744376     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.76692996949461145        2.0514905666279875      -0.87259823288225602     
  -1.3693188577403586       -2.7171966148318232       -1.5027355067834611     
  -1.7476833806280709        1.8111559539859723        1.2208170550879009     
  0.90643199608982838       -1.4817252634562665        1.9522053990115875     
  -7.3080108718528353E-002   6.6647194311659497E-002  -5.0198284099147415E-002
   1.5170699173237665       0.27098518857499287      -0.74800557567061121     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.8073858849564775        1.0532066127118016       -1.1920929452458358     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1458668430072316        3.0153307011938306       -1.5424598466020283     
**************************************************
     Configuration num.    482
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7516316244847139E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0663703173600991        7.6496245107019289        6.7631571235723476     
   5.4978510956140569        6.8750928965998002        6.2021214029783600     
   5.8647953288426820        7.9597877183239909        7.8123811548148829     
   5.6241360544146568        8.3740448028107668        6.0400831478491144     
   3.2602495138916039        7.4105311392047266        4.9869432679492842     
   7.8840527134433493        7.1940534884913649        6.7326485922272967     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.565841249053843     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.21053662067033355      -0.11323241340227212      -0.70525494487554363     
   8.1216295103684319E-002 -0.79012488743308562        1.3989328578053279     
 -0.26240472063278364      -0.68442900696152131      -0.65983267840113513     
   1.3283021468435112       0.91859161964159086       0.21937099034385943     
   9.0516264626138696E-002   2.9307139151071686E-002   2.9737437146357987E-002
  -1.0268989799540360       0.64134518336245283      -0.28348334450486845     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.7570379029451035       0.15957060570183937       -2.0610218748281537     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1682116030685457      -0.92115162012268126       -1.3005966214871667     
**************************************************
     Configuration num.    483
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7516316244847139E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7377720298609285        7.5484276982138283        6.9977313336803730     
   5.0914866417193920        6.8772169448707690        6.2960130694060004     
   5.5092971105683697        7.6474458904004914        8.1241104589571247     
   5.3763098725399221        8.5170196805364320        6.4087047076549695     
   3.8796524290721854        7.5478462777963324        4.5358319494880934     
   7.4898930625091733        7.1098917226045444        7.0169350733232276     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.526672466979790     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8349114219720843        1.0856734343644199      -0.21867210045997124     
  0.95963464984709057       0.19474178696677552        1.4115908671768502     
 -0.24938235875499856      -0.34270343426590322       -1.6524162698395690     
   1.5607414322369433       -1.2223985542654607        1.1775602618013152     
 -0.28970802117771632       -3.3475188185850394E-003 -0.29847793248173560     
 -0.14691307526652975       0.28826670138348548      -0.41832404057303391     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1224743307013210       -1.8806979667378179       -3.0470190764303884     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.83546000707686330       0.19962223386383524       -1.0847843392013035     
**************************************************
     Configuration num.    484
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7516316244847139E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7584367781496759        7.5748126146360120        7.0236248062389217     
   5.1378492760835508        7.0053299186050486        6.3267659556711564     
   5.3982979964227358        7.8491394426431258        8.0086703950484068     
   5.3618626591998479        8.3715274464429950        6.4579075603894944     
   3.8848847596344109        7.5075397999756550        4.5460911233679937     
   7.4865824446592697        7.1204640058949762        7.0019070731306163     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.308594081027877     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.26324489105869198      -0.34570289627165063       0.35351363623893195     
 -0.21849450664273010       -1.8514452737665570       0.55311625901876937     
   4.9843237668378238E-003 -0.85906403203360093       0.69887620748222123     
   1.1426033999905658        2.5752656884103136       -1.2338016593183889     
 -0.27343847992905423        9.4444542336964213E-003 -0.26697614533111286     
 -0.39490516445274526       0.47271059133994614      -0.10443474172400756     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.83424561771152461        1.8886233049304453        1.0446119438477190     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1360171059126445      -0.94897154062665845       0.16602470025862293     
**************************************************
     Configuration num.    485
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9473756855125874E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6938678507107792        7.7097226769916709        6.9745833257323175     
   5.2642871825942708        6.8011248082583133        6.7384377347717992     
   5.4260732589213490        7.8655548308706313        7.9714780973089319     
   5.9431017457711501        8.5151858781645142        6.3602078352292244     
   3.8642177613192850        7.4021246728218362        4.5191485418958770     
   7.4461468103381163        7.1851525486310290        7.0142364539585316     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.269745923554638     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.4425535883645400      -0.66715059284142253       0.81362778833167571     
  -1.5516276798081619       -1.2228606246287510       -1.8284712915731107     
 -0.44078685811595908        1.1434960830963488        1.8665537589658316     
  -1.5044184404870884        1.3236850646593319       -1.3319864786498372     
 -0.21304517350476299        2.8476274161551595E-003 -0.18330679189323507     
   1.2670434231169025      -0.57988517785891658       0.66363133772726801     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4215484085151506        1.8715982952889367        2.7658567336653657     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.43831644919982549       0.54012791986087061        1.3005960484857901     
**************************************************
     Configuration num.    486
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9473756855125874E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7984279294806438        7.7236734035151686        6.9349571327257493     
   5.1586473574074851        6.9840539209455095        6.7154691812753411     
   5.6872875072149505        8.2222205548583123        7.8604068873250723     
   5.4014415702976795        8.2993264580108868        6.1852215550107363     
   3.7894267957513117        7.3448205227320411        4.5271098518201045     
   7.5290745176024707        7.2012047921865738        7.0545659622724548     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.319612719173843     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8207307215709920       0.93732983119331559        2.2503982454564513     
  -2.0924493399428190       -3.8926808224110627       0.12750040162713044     
 -0.71438474478472669       0.36307399951140196        1.2703522239854190     
  0.48605294782576774        2.4465515277923791       -2.7896474557823687     
 -0.18903225025760403        6.8190415182876798E-003 -0.12678949585295005     
 -0.30929497712132259       0.13959917576199576      -0.73083145328004173     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.59667918643854589        3.4673451271779525        2.6615278104991900     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5675473020054578      -0.57881738751769218      -0.15700337256302524     
**************************************************
     Configuration num.    487
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9473756855125874E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8125075199704028        7.7679216342603530        6.9029736396457819     
   5.1516104114775718        6.8966676542063476        6.6655252265662268     
   5.6589083563794631        8.3696270686024210        7.8677016039970491     
   5.3532786626676696        8.3032593967593815        5.9264280358190513     
   3.7453503929935454        7.3455416103887377        4.5488975808083314     
   7.5778107814780284        7.1782774528024014        7.0776242199228427     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.454585332562374     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0857133451908660       0.77928580845868500      -0.52979177654063825     
  0.47253494479102659       -2.0843982463314332E-002   1.1606932270207118     
 -0.22187380089262154      -0.99605501974041744       -1.2573394754044296     
   1.9034295810260673      -0.31222667075112809        1.3089784725883136     
 -0.14683194744356848        5.1980874676410285E-002 -0.10654427771396238     
 -0.92150133870744499       0.49635133405424270      -0.57666920089639540     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6135994006219043       -1.5138540045641458       -2.8698385185102739     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.99679825368412966      -0.61570973392308903       -1.8560761484667263     
**************************************************
     Configuration num.    488
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9473756855125874E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9045283847325498        7.8208361517200062        6.8029025576212963     
   5.1545124640365447        7.4469967289135495        6.0549712286685482     
   5.4252073479399332        7.9561249214708889        7.7591862782959797     
   6.0765510880454947        8.7721312754448615        6.2927307572513254     
   3.8525380140051011        7.5021874295632482        4.7533250983624100     
   7.3838841966369708        6.9353666773688065        6.9469004841322741     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.663641346694479     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.79363162128448772       0.95062186188601294      -0.70517342475344114     
  0.41882192490169590      -0.82938589960252640       0.47587294542766295     
  -8.8207514578284935E-002  0.13397716298223972       0.66016764232057512     
  0.45924350292365301       0.47175719274464639       0.40359191675929162     
  -1.0302175763960206       -3.0869187785301889E-002 -0.98785968446807881     
   1.0342465205376188      -0.69350023660028892       0.15455216102121569     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.8349881535094745       0.74828913349998616        1.4663197768009246     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.30598756852585796       0.43290377844416228        1.4899177076694099     
**************************************************
     Configuration num.    489
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9473756855125874E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8628950357182461        7.8430607562069650        6.7493103242082642     
   5.2817643180325193        7.2881371204875336        5.8823750682197637     
   5.1890578499787514        7.7961488937151886        7.7102965434215109     
   6.1967339202883132        8.8021645218771809        6.6542938290143541     
   3.8709036306538511        7.5656113380557768        4.7227743821513588     
   7.3783501429561040        6.8969976255740146        6.9798032610931857     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.417607848783746     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1176516899370856       -3.8825802275674426        1.5476976842299246     
  0.87575125537519527        1.5669125052019375        1.2272993861230603     
   1.2097178755251656      -0.12364728771344698       -1.3705631269009890     
  0.57654003679394328        2.8687996644416245      -0.88113540687624103     
  -1.1287220316467881       -8.0275255228249728E-002  -1.0462386796952503     
  0.58462255246377470      -0.34912719760174715       0.52200496587462042     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5188078273576366        1.5204021188285610      -0.50783088223265338     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.21206277755295791       -1.5310775237819858        2.5404951686055672     
**************************************************
     Configuration num.    490
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9551501114437166E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1450426882700855        7.6991975181920029        6.2835811736790390     
   5.0471962933739904        7.4616514518792281        6.4219567666039739     
   6.6015713887129657        8.7417504138191511        6.3566953576909908     
   6.3942938786409069        7.3207015770321053        5.2362615769014198     
   3.8142393133635299        7.2287606170035099        4.3784222547620288     
   7.1842346293572730        7.3234692454273915        7.7337703656309502     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.384447496152688     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.64018950187832613        1.5709860234077146      -0.78544724857005122     
   1.0393486522453226       0.66627664931059682       0.10845109585657182     
  -2.0643165666884982      -0.39167398976983647       -1.0512470717488376     
  0.23535249978038511      -0.32473969225652993        1.4762204478442993     
 -0.21457894896149357       -1.2509776808769852E-002 -0.19519419517764802     
  0.36338069610492157       -1.5064728815255739       0.44669824093021671     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4587527335787513      -0.40664631814386470      -0.92926520130652701     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.3226093595718238       -1.6226003049121358       0.59663436625380328     
**************************************************
     Configuration num.    491
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9551501114437166E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7249794864143633        8.0173970312990033        6.1287378856568431     
   5.7387275308569814        7.8769047245746524        5.3973475968146554     
   6.8761263479931261        9.0161867771248279        6.5864623673945761     
   7.7839749577941504        7.6640991720379485        5.6794000861435370     
   3.9627615652499713        7.2906851657186778        4.4847930454056231     
   6.5734471252728159        7.0371844655341693        7.7195395161999247     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.616175845664653     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0007331809685174      -0.77336502307438715      -0.58431770167247421     
   1.6580671588556066       -6.1916158579211726E-003   1.4576100607248226     
 -0.19537952970316028       -7.7179447439862728E-002 -0.66773225749902876     
  -2.3226912340978010       0.68095621516142613       0.69128341689424011     
  -3.5294196843281375E-002   6.4383236329899937E-002 -0.11129105826805831     
 -0.10614337844456598       0.11240847363943395      -0.78491921928583830     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.1486546320012536      -0.95572347767219135       -2.9168202507370888     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.48289200402044208      -0.23291927186876416      -0.37726751751271465     
**************************************************
     Configuration num.    492
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9551501114437166E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8323478413277767        8.0271933975916063        6.2802328377050030     
   5.9210136006413414        7.8848543114018907        5.5590571340304917     
   7.0978425438227051        9.1379511374799183        6.5858496053351674     
   7.7152459811419227        7.5935131085471150        5.9456331890539813     
   3.9545934196397918        7.2940516332026437        4.2954737309160080     
   6.5074129617212364        7.0238279918361588        7.8093206990415007     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.767596722378357     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.0580491182017244        1.7806042681003058        1.0333123180136272     
   1.0731484524877994       0.30276169594891278       0.96519705743942419     
 -0.86743658703614934       -1.9566183208343138      -0.42956133178435402     
   1.7004799910780899      -0.86091992301177844       -1.0856793817728401     
  0.13325872626699303        6.9727487698481055E-002   3.0514472140079685E-002
   1.7919354832785700E-002  0.66658331811254801      -0.51212296929121870     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.60646032832263996       -2.8953376415823922       -1.5841435047444781     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8045791763902932       0.33185568324099313       -1.7352221970843771     
**************************************************
     Configuration num.    493
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9551501114437166E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8488062915582297        7.8251929659907322        6.1730014434993903     
   5.8629033580265730        7.4863637076354292        5.4751527025725926     
   6.5931516492355833        8.8954502681897836        6.2032999182906376     
   7.8581932718029970        7.6536856992368012        5.9198165231920674     
   4.1211831795630403        7.1316698580137112        4.3751116394456888     
   6.3826174911513700        7.3201759395189754        7.8215520092876902     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.595259404346049     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.6055276385156114       0.84734246981823647      -0.79002896843114390     
   2.3170292565673183       -4.1959994030353422E-002  0.77725842392790101     
  0.66184558410658534       0.20466472682748055      -0.13288706329243374     
   1.2297479573371675      -0.60179666859576419      -0.29936875817714137     
  -3.1981263197676718E-002   2.4670021162000951E-002  -3.3988752847419645E-002
  0.42946550536921346      -0.43050253776225922       0.47928324973458913     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7263708049807804       -3.6749267110267055E-002  -1.3965030490666039E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.44754379003869582      -0.53534905335191285       -1.0895249312073989     
**************************************************
     Configuration num.    494
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.9551501114437166E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7298550761701348        7.5797081372491020        6.0759588866107581     
   6.2855938936201028        6.8824870385901775        5.3771337296144850     
   6.3086594555011795        8.5497816764592471        5.8805031256306526     
   7.9124496791116679        7.9208324293951300        6.1977378966688219     
   4.1594819418567450        7.2561420486807782        4.3847074558157848     
   6.3629040122287606        7.3558626183547835        7.8609550285409506     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.395543381236394     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.4455378317757313        2.5140798809201335        2.0957583167549680     
   7.6332799881374591E-002 -0.73596037350528909       -8.3340039639226898E-002
 -0.71645073303572948       0.41968209952631030      -0.35473191015099897     
  -2.3766535433747595       -1.6567008377649675       -1.0359149299851267     
 -0.18960198913659337       -7.4376201516838283E-002 -0.21692215719434157     
 -0.24023712405850672      -0.46680453098555091      -0.40325744462751467     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2990602386562333       -9.6888154847103156E-002 -0.69547358665163872     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3231569101391729      -0.44522710832516033      -0.31946728123390172     
**************************************************
     Configuration num.    495
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7363743752940245E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.8595747899574260        7.5930764648834410        6.2384866745237169     
   6.6086227038248584        6.6587166090560164        5.6615517218831251     
   6.2284052434010855        8.5468495876812494        5.8644381183988603     
   8.0516194702498165        7.6602798425880563        6.0824339479072211     
   4.0172442549609322        7.3555769458916069        4.1974133518647836     
   6.4181013629253751        7.3068734785484351        7.9759190784563669     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.569039860682551     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.89774963010213815       0.74241063954555120       -1.2712823744029449     
 -0.44878872725940672        1.0063898046222677       0.42749921911078204     
   1.4850594193232962       -2.2884658262403388       0.57417130777124992     
  -2.3584414028427467       0.41229115232132568       0.71979857344699472     
   3.7615094809969420E-002   2.7771316531017980E-002  -2.0168067760979826E-002
  0.38754265052467674        9.9648642201987783E-002 -0.43026517583847690     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.1096913746320105       -3.3982881212041391       -1.5334714249258961     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4343715256056964       0.29994024145841941       0.57939658412930428     
**************************************************
     Configuration num.    496
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7363743752940245E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7214896091573388        7.5889761352740441        6.2590985842939482     
   6.3670338949131713        6.7607595278802748        5.6027635709737789     
   6.2341696382270131        8.4393305629710902        5.8084940649922805     
   8.0185370879937885        7.6569037370537192        6.2436233258043830     
   4.0679229428698482        7.4308324555960050        4.1977486911011912     
   6.4445436039070163        7.2340058599849622        7.9633591505370482     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.421539750085685     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.1768672567841305       -1.1597170131043106      -0.79299140629970222     
  0.25799649357295523       0.12446992607453838       0.53905851707365415     
 -0.27572672348797983       0.83910033651509153       0.44920095100683416     
  -3.5944678070064877        2.9950801672642066E-002 -0.51435550941321240     
   2.8308458716394432E-002   1.1551088771621212E-002  -3.3347216216386574E-002
 -0.59370596522834851       0.15564257382622576       0.35206609535777994     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.6760826497473813       -1.7007821324481059E-002 -0.24149156260260349     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.44390482205971821      -0.20091948209652025       -1.0152647202147822     
**************************************************
     Configuration num.    497
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7363743752940245E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5869213100257813        7.7463802463958107        6.3424265159490290     
   7.3055939986206084        7.3131607054337735        5.6886310829750846     
   5.7343516954603997        7.9460302541227659        5.6925513743185361     
   7.2512847282408366        8.6681573720137290        6.4361054498547805     
   4.0405095042058941        7.5758896717798425        4.2634566859481158     
   6.5546112787743267        6.9148590380316692        7.8510971385795507     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.573858082238758     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5179926424374903        2.4612576335543297      -0.88712712212047873     
  0.53686882485372589       -1.7145467500021496      -0.80996424194164063     
  -1.2162050226881642      -0.24149475158413117       0.47770706306660282     
  -1.2349243796904599       -6.4088140791342146E-002  0.61865047017170482     
 -0.10884706906151072        5.2779123434206515E-002 -0.15120876736455943     
 -0.49548105823555644      -0.49510853202216365       0.75141710809506279     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.31368394740450539       0.42569339881397145        1.2148081742645662     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0754459021335874       0.37657463225805132      -0.21597164399013227     
**************************************************
     Configuration num.    498
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7363743752940245E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1946497479222176        7.4842355342705966        6.3430582270725306     
   6.2406020076890378        6.4776200395648402        5.8536950165597021     
   5.0291389321036153        7.2858828410263587        6.4256476951986423     
   6.4422338504607364        8.2194283545777491        5.5485898718632374     
   3.7531036122162784        7.5075069632305880        4.2894976764293968     
   7.2659191328179151        7.2914325491347673        7.8236411426489081     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.480841337659282     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1223664287198116       -2.7133074370707657      -0.98283162490975706     
  0.93877616050877777       0.47253841334109248      -0.12576139322337970     
   1.6412436071536101        1.6325858244915574       0.68554290417621733     
   7.9672995092823995E-002   7.9197143790541866E-002  0.96400735495849521     
   2.8470291191566685E-003  -5.1905577212134187E-002   1.3077917458698645E-002
 -0.54289690756522124       0.57992778981505566      -0.55437264587446000     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6497610800678744       -1.3247063021315064       -1.7730084883398403     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0081317976691684       0.74376438556051594       -1.1419545057130054     
**************************************************
     Configuration num.    499
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7363743752940245E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6697311212274046        7.4189458112079683        6.4538055662498603     
   6.0420591195699638        7.9894630196082490        5.6230116915215884     
   5.5044860819784489        6.5893781462049512        5.8426158356610767     
   4.9124416648484468        7.8428380207735717        7.1484942573034163     
   4.1503874460334371        7.8665877765899381        4.2786722871353557     
   7.1878395784878801        6.9049690899635765        7.7082446862792100     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.484947835801904     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.96326062847799099       0.69703211638296514        1.4024109796426720     
  0.73117920794712443        1.6036103064048057       0.40352485907801977     
 -0.95105150844121045       -2.3366671687902327       0.14076028609544700     
  0.48149713163839286      -0.41839656404500569      -0.79580881061823594     
 -0.44209729473546072       0.12665923066690379      -0.42538145814213246     
 -0.78388762574223048       0.32835368343189913      -0.72483892276888084     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.84140565312819138        1.7983232101243514       -1.2746092237465907     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4875329685627843       -2.9931595041544971E-002  0.20790150375663391     
**************************************************
     Configuration num.    500
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7083568525213809E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5728623978497547        7.4428285116862387        6.3856030062170754     
   6.2415857509214350        8.0752583821500039        5.6962347343153112     
   5.5148314371175173        6.5953730871702598        5.7815545228181042     
   4.8037680032152661        7.8776655835490965        7.0290765641504036     
   4.1496457464308740        7.9103317490761569        4.2791644022470567     
   7.2099813552929204        6.8388482641624098        7.7429598822938717     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.381088820080095     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8084138061115427        2.0518548303575406      -0.90139365921588177     
  -1.1254979324030385      -0.10532627392740089        1.7000828505993304     
 -0.79645280745692582       -2.0233952872568852       -1.3111107329588242E-002
  0.30094439355048064      -0.29820711344293649      -0.21831977745118411     
 -0.28601273146970413       0.13112911152282014      -0.14156251955961310     
 -0.90309064026175490       0.24643264712096963      -0.42615012891658094     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2607940502804573       0.76384016741715033       -1.8191607383232891     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.47110576360939099        1.0926769272822880       0.69561575221521033     
**************************************************
     Configuration num.    501
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7083568525213809E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5463373329368766        7.5173202930132472        6.2695578194365016     
   6.3164725757150162        8.0667759585699343        5.7556987571547342     
   5.5235014592573535        6.5370214176971961        5.7091271550460387     
   4.6931560034617457        7.8121009315277155        6.9099101532649971     
   4.1559582429486435        7.9474802548532084        4.2834138805424464     
   7.2157077036105370        6.7914008893130484        7.7929325505500788     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.382845285046866     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.21489142142265924       -2.3007236928466712       -1.3069889912544843     
 -0.15460635874945583        1.0688038216829798       0.49712883434672067     
 -0.31884318100509784       0.76538787059353708        1.3594930006994721     
  0.98227385497428732        3.5338880088803572E-002 -0.32787660338255797     
  -8.2455342485709446E-002  0.18286873384683439        6.9613145942223537E-002
 -0.64140335540550586       0.24724584219276188      -0.29141230144259278     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1682944509908020      -0.77885771946092985       -2.0092619854191645     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.87925873025210632      -0.83076885363070996       -3.8878016232748915E-003
**************************************************
     Configuration num.    502
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7083568525213809E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5856814818490550        7.5275329123242800        6.0177725460842399     
   6.3169085670151510        8.1803359296278320        5.6853018983169772     
   5.4699081994188372        6.4581146321238263        5.8948161658648317     
   4.8231094011541211        7.7737506725610350        6.8323250587277995     
   4.1532874920593947        7.9512368639782061        4.2931946129437231     
   7.1963846291761158        6.7846015059061475        7.8641989703914534     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.484062888997641     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.8941839990046558       -1.4344084300883937        1.9134763376578294     
   1.3866887046973995       0.88776910771635253      -0.52162700172096810     
  0.87292375503440134        1.0111099395227505E-002 -0.61296964713822022     
   1.3829945674862696       0.42597748507010602       -1.0974119817778791     
  0.40301322464687067       -2.5474999097453252E-002  0.48741306148956970     
 -0.15270774148690153       0.13813466948622716      -0.16898067759684254     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3079400661766041       -4.4199694520482787E-002  -1.9894589564272398     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.55843741169723438       0.35576854192008200      -0.45684028796493270     
**************************************************
     Configuration num.    503
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7083568525213809E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6697604329977631        7.8162318991598241        5.4924174709440416     
   5.7684598311960400        6.7476655638163754        5.4736657982434318     
   5.4801903233531712        7.9729865872540922        6.6024957130978095     
   6.6746885156801525        8.1449222284840381        5.3528805421112580     
   4.3832821140021903        8.6796382778649921        4.2633051112713982     
   6.7897188568987374        5.9072407342259741        8.1830243614197595     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.564118024238269     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.91135256036706969       0.62341880031921204        1.5464033170090756     
 -0.82659261123306471       -1.0345138483490863      -0.85683975787425637     
 -0.55463773229627045       0.38950633988094929       -1.1767589868424657     
  0.74725008643644042        1.0378132572744254      -0.81041581356794290     
   1.5877739587036133       -1.1503932752144510        1.4864625519074999     
  -4.2736797943744471E-002  0.13510607055694740      -0.18982909792140837     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7296542191686048      -0.26333947914962852       -3.6460799094801124     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.3251235374182730        1.9703058045472686       -2.6089782804310171     
**************************************************
     Configuration num.    504
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.7083568525213809E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7061626969413979        7.7687880489499550        5.5489642632495633     
   5.7032252386204201        6.6315701997384071        5.4566425715660376     
   5.4213838793869789        7.9712915247612326        6.5593502797271146     
   6.7618725102630517        8.0879800133932527        5.3682359833588453     
   4.4052939648690383        8.7309230425871185        4.2645341500106166     
   6.7595328198024749        5.8917435940071954        8.1676941000144865     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.588913037142671     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.48062782858042119       -1.1125332840502442       -1.1643916667612664     
 -0.54266501614310747        1.2781740872828993      -0.42346761932201471     
 -0.58393050256618884       0.56707099072814293       0.66183569416700849     
 -0.87582424423414451       0.29658641314169532      -0.27180072875322830     
   1.5673540953531848       -1.1695275001627421        1.4161683180386555     
  -4.5958410131583874E-002  0.14043749229260175      -0.21913589196458341     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1237457609122488       -2.9012666375674940       -1.9017833753314604     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.7037593400845588        2.1500764208577348       -2.3760020801782424     
**************************************************
     Configuration num.    505
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6867757619731755E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4876107654595172        7.7646665458057917        5.5938048419647268     
   5.6156681956541243        6.6783692625621143        5.7894858884765785     
   5.3690075672500077        8.2952662807780584        6.5597405184553139     
   6.6645129114653390        7.9838485927851428        5.3723258053840253     
   4.4982103583688922        8.7358767250442764        4.3352968030896308     
   6.7674315636572251        5.8581021779685329        8.0436814059910233     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.458278595339152     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.9048474517730911        1.7560142851413141       0.38179559254769568     
  -1.3908884425633747       -9.4265722073682057E-002 -0.56004031740269578     
 -0.40943539101412396      -0.38825499710319661      -0.36089430880313422     
  -2.4950660817312791       -9.0445714797516147E-002   8.0971448651337194E-002
  0.43043857435614868       -1.2463550634990730       0.63167095727976919     
  -4.0196160359825955E-002   6.4096096117165657E-002 -0.17142032089443768     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.7492000963171033       -1.8158166666726006       -1.9557897118248628     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1629867426466445        1.2940039637093987      -0.73615445223893095     
**************************************************
     Configuration num.    506
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6867757619731755E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2926852625197665        7.8851102774207202        5.8177438741025718     
   5.3780813669660681        6.8146158008278377        6.2552738231708753     
   4.9908664831963243        8.5307510394652386        6.5580876482593942     
   6.2840335601492416        8.2335878668521509        5.5934801647238945     
   4.2494786839271450        8.4297571622142229        4.6607707835854608     
   7.1945988929671509        6.0532993380539377        7.5650218160866709     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.334843897576093     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.4080088455086401       -2.1944322611734517        2.0173786101837528     
 -0.36316915994070315        1.1524371369805233       -1.0588524825401906     
 -0.24113767214773019        1.0477409478654975        2.9775422558231530     
  0.91578664884037220      -0.25994047829416739      -0.32395401121502421     
  -2.7940265930162074       0.38143159715090036       -3.7351583281694327     
   7.6061619353491650E-002 -0.12947295236107217       0.12418903018388142     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.2493758628814846      -0.70034170525666617        5.4273139064316407     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0183774060708686       0.62012965090395122        2.6099533378299133     
**************************************************
     Configuration num.    507
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6867757619731755E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.9079856700983235        7.8875621257094028        6.6180803314980983     
   4.3436941405257965        7.6685033270854186        7.5437118716612943     
   5.3690467753254074        8.8381046404464634        6.9110023908122287     
   5.7816605352427564        7.0231722926022870        6.2803239328933662     
   3.9701941440986324        8.0333142731741347        4.9557878140402716     
   7.7349317683792380        6.4544597020114880        6.7361817684928615     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.375615401970435     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8644350133581247       -1.9081023689582086       -1.4245804903453785     
 -0.74782125973101266      -0.64883510758539376      -0.76283769669026558     
  0.28999824461571200       0.25549860921071088      -0.89077707816063345     
  -1.7437446976511652        2.2248625207476311        1.5371525263221484     
  0.10776468308552277       0.27666206245964609        1.5549652820737565     
  0.22983703220840612      -0.20154789822029509       -1.2691031386486057E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.70999861141834297       -1.6239772314582024       -4.2728690052107412     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5127116992337277       -1.6148893681453440      -0.17468023291316617     
**************************************************
     Configuration num.    508
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6867757619731755E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.8914718275175080        7.8020621820225271        6.5710696586967838     
   4.2294437754508367        7.7044570152156435        7.5498362698645751     
   5.5003911721193814        8.7352858162397755        6.8052250250694533     
   5.8137888951699832        7.2252736113046225        6.4923866902082974     
   3.9910402979405535        8.0451396988540154        4.9153717838810920     
   7.7141267449537345        6.4563424277749171        6.7798416999273892     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.431360563294675     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.49755248102313476        2.4287534093241483        1.4777476448911882     
  0.73055542843446586      -0.35173471917628057       -2.2985706403886903     
  -1.1236339045976234       -5.7357460730390599E-003 -0.59093224455774740     
  -7.2563641125106659E-002  -1.7225438856143571      -0.35761979543095274     
  0.59612995628389132      -0.23963299583849387        1.6769945494559304     
  0.36591358039681410      -0.11057619771131914        9.1719068726491507E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0210405829943661       0.51237398574680471       -5.2328497161140319     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2981204934327528       0.16120335422231219      -0.44174476961221593     
**************************************************
     Configuration num.    509
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6867757619731755E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.0613320737160601        7.0110349468017850        5.5535473115924061     
   5.2421147067642604        6.6919413204536857        6.5919603855160069     
   6.1098252227557586        7.3685168375674275        5.4363108351049672     
   4.7694580877937272        6.0193672640968678        5.0865745990687410     
   3.8008658932386750        8.4228468741760860        5.7255765782219177     
   7.7815671605606171        6.7511253719012911        6.7354922513368018     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.485378757475246     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0440067331747196E-002 -0.55624081888398857        1.5635064961573850     
 -0.51076199068136807       0.18557246312670433       0.24150312797794182     
 -0.49503092530130416       0.22327567718182986      -0.94373639028426359     
 -0.23291000543943538        1.4804845864010998      -0.43287983923348683     
  0.68485977379492502       -1.2041382759289065      -0.60426637714765052     
  0.54429358875621281      -0.12771718457270209       0.17698042683457782     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.22987882006959592       -3.3921798501019316        8.7201898666162278E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.98230157069668278      -0.80663460956883437       0.37560882293168329     
**************************************************
     Configuration num.    510
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6740468886084324E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.8460113143523964        6.8419281945242112        5.5081517553530555     
   5.4888243675938977        6.6019424338606170        6.4481411425539417     
   5.2482239345841357        7.3570436337875798        4.6816522036470047     
   4.3657299832172196        5.9908810493651226        5.0809076265681661     
   3.8076673129925074        8.3834261396033050        5.7147365525855944     
   7.9626397308327634        6.8624998035384834        6.8637222133303633     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.344660039468636     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.44935919195787660        1.0200562641024349        1.6056449508400514     
 -0.57960413862640814       0.80102429487171434       -1.6397004900997516     
   2.2999195510679837      -0.30060304826708006      -0.87176521376004346     
  -1.3227038807396436      -0.76459912605481284        7.9484665420274936E-002
 -0.80518945922735341      -0.66295064081426325       0.77173831579752605     
  -3.9290364931459626E-002  -9.2914968318004776E-002   5.6107883409380672E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4505418790138487       -1.1968382250106060       -1.1144206297863650     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1169824641859725       0.99391425963680546       -1.9290636068536060     
**************************************************
     Configuration num.    511
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6740468886084324E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1493368719839427        6.9362533221144327        5.6460780183187307     
   5.9486692824515535        7.6752842221819924        5.7103471646023021     
   5.1445642240436724        6.3629258508033866        4.6978496709827660     
   4.8135889407573647        6.3412600933757242        6.3871535916317113     
   3.4311681705244559        7.9050666638473936        6.0134380252235884     
   8.1456596213294219        7.2604330444235172        6.4523298495894741     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.308670282251796     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.99506938241966325        2.0045678335461474       -2.4662934385808906     
  0.12408658511520185      -0.23650737350701281       0.54359175109253799     
 -0.33453063169276509       0.58506826195946871        1.8440430828236434E-003
  0.56333810995173794       -2.3211410063153073        2.9412838467396822     
  0.53611407105894027        4.1091720193277038E-003 -0.98851506615381779     
  0.10509695606006106       -3.6327665820631912E-002  -3.0431205487959696E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.83202526281672939       0.23238104710380350        1.1196905137306763     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.46368180083341970       -2.1272923963743668       0.95528782082594854     
**************************************************
     Configuration num.    512
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6740468886084324E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.9942834793236930        6.9327448298149292        5.7242121090976434     
   5.7866023859202027        7.5941701485917097        6.0156042558285829     
   5.0619127150700987        6.5021215136064123        4.7241664042849116     
   5.4759084373202533        6.1324468510642056        6.5361381356311368     
   3.4496701833442458        7.8198671432296560        5.9556188345885941     
   8.1325715913886647        7.3638275587908550        6.4294590552173601     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.407673619826028     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4373343847763560       -1.7923188278365043        2.1143098277332415     
  0.78428690684358415        1.1817146049895304      -0.83334505762288547     
  -1.2081214107773457E-002  0.19431056280601317       -6.5931374555680655E-002
  -2.2923514976607668        1.1167338784798093       -1.4842741356787519     
  -4.8907336323551209E-003 -0.66290378245816606       0.21447308437126764     
   8.9356512088237361E-002  -3.7442319200246224E-002   5.3796704293707774E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.41785997432222327       -1.2801765462789483       -1.7209540296067523     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.1993979698916859       0.81310374663550533       -1.4319554347637966     
**************************************************
     Configuration num.    513
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6740468886084324E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1366407198323989        7.1443653296304976        5.8090114550701371     
   5.6849998934599348        7.7665093266874310        6.3646649778528799     
   5.5670730008224893        6.9705611040103834        4.9463428028251624     
   5.2060210899408883        6.2619256541252293        6.4037558957127123     
   3.4799569754427204        7.6510337350801327        5.8730411121194086     
   8.0389746534802118        7.3740621428767508        6.4337939077725741     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.362398209837462     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.7949860353527001       -1.6277848148282557        3.2046379129000098     
   2.2795805613166462        2.9900150157330065        1.8105674642042475     
   1.6929523717162411      -0.54897474936484691       -4.9108019115227615     
  -3.4176731131590525E-002  -1.2236358200941329       0.35762498578953866     
  -1.5734442588496855       0.45119289734109463      -0.52998666963781171     
  0.42930647788019277       -4.0432818697034550E-002   6.7199925759166085E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   5.1116955796400685        2.4248474778603408        4.4519426152131523     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.40500746284809092        1.2938182930119115       -4.0327473175151729E-002
**************************************************
     Configuration num.    514
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6740468886084324E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.8111843187344840        7.0135027111188872        5.2266014834315513     
   5.8616881193713724        7.3309149231158353        5.3740213690779512     
   4.5478714934779871        7.5773988204818226        4.3989804309048894     
   4.4365235166965249        6.0770899039586066        5.5377359162031006     
   3.7373185248984484        7.9381549366866242        6.5762715636507663     
   8.0737491786104680        7.1328090105453352        6.1991113932330357     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.424950069272654     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.27130971532744308        2.2638593081527518        2.8726486624271836     
  0.22034060591594934      -0.88448828169172145       0.90027803702509257     
  -1.3951917731833909       0.19576042300286495       -2.2915332115207421     
  0.14550995463309721       -1.4603290310986128      -0.74958416621549095     
  0.71928494714167845      -0.13465441489923718      -0.64214467633302363     
   4.0080831989275645E-002   2.1985749614254386E-002  -8.8690887386706538E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.35102210479148221       0.44480123594216758       0.20097499411367564     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.15887948168450827      -0.83971493956019261        2.0745433499388781     
**************************************************
     Configuration num.    515
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6218107534904795E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.7339648385190225        7.1533972152904459        5.4891181026778453     
   5.9833329841321667        7.2606134116025096        5.6280453455419037     
   4.2289952415828358        7.6351569087725188        4.6075718583964607     
   4.6064015114736820        6.0809167891017557        5.6359323692918180     
   3.8117276820627741        7.7088354382394346        6.8509630974563445     
   8.0285871019836748        7.3157175779771757        5.7722089169982098     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.579851759412804     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.3102531268146302      -0.24353520837641146      -0.36414982991672623     
  -2.3636046240802360       0.45676106327887039      -0.42873246256684416     
  0.80970938386601743      -0.79930609856991797       0.29757887646288850     
 -0.16272740016318882      -0.43658155168302898       -1.0831257021521212     
 -0.69495687264124228        1.0595763891771139        1.5806399486216902     
  0.10048410198955185       -3.5868772075451999E-002  -4.0381178123622364E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4506085704955431       0.14214686908826449        1.0512826375688820     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -6.0791766016293936E-002   1.9706844027356569       -1.8307616283846235     
**************************************************
     Configuration num.    516
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6218107534904795E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6525035762404450        6.9915536877628464        5.4834914942841593     
   5.8603809507941014        7.3801752455362593        5.5930878233488501     
   4.3869946839129765        7.4505561027795144        4.5316836604404385     
   4.4998817854855435        5.9575623491215266        5.3174920932585508     
   3.8797657088615090        7.7652048889525709        6.9190600642604876     
   7.9962109511675745        7.3354341074996210        5.7544525469882988     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.519865874910010     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.4931090858189804        2.9557298603889031       -1.3218172193048862E-002
  -2.2623612547784271       -1.7114033598781004      -0.16683870117703262     
 -0.74534558900812220       0.63318152360449309       -1.2825515410832076E-002
 -0.16134747683428469       -1.4487319068026618       0.75228266529487442     
 -0.36383141782707140      -0.51412578677646159      -0.51671595954613270     
   4.1128394793271336E-002   8.5784004854429413E-002  -4.2572893477233968E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2064388923404366       0.16019991536653733       -1.3392601503782333     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2152058609172356       -1.1662836679332658       -1.5723583809035491E-002
**************************************************
     Configuration num.    517
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6218107534904795E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6052850901508222        7.2154808368297614        5.4968071971151469     
   5.7462592733315008        7.4357176268162481        5.3951195254126780     
   4.1897064589822417        7.6391092161864291        4.5442763434818279     
   4.6749767865478757        6.0329356102956124        5.2633371775389959     
   3.8525151013646384        7.6371840885687998        6.9899463547009013     
   8.0548383347270196        7.3515471987787597        5.7060802106774213     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.610803467067623     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5941111847437082       -2.5855908499032347       -3.0888374395690530     
  -1.1652963255443884       0.16204528316320041       0.96367951847152022     
 -0.46639628380936865        8.7719671164452714E-002  0.97501839791368650     
 -0.66361439645757114        2.1709843483310731       0.93798762739880448     
 -0.29797830203427200       0.15866443969493296       0.29710863841407087     
   2.2481987834315105E-004   6.1616912601838323E-003  -8.4900091945088366E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1674778921860984       -2.7433565931432473       -1.2549055109492326     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.18614721408714388      -0.33959972178591685       0.25363707724332191     
**************************************************
     Configuration num.    518
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6218107534904795E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.5058579283925448        6.9604860169232117        5.4445324067611622     
   3.8158477913696593        6.2969143970746897        5.0522270202505135     
   5.3680830530114552        6.2886013668008927        5.3779246941752099     
   4.7104507875756161        7.8529845535050802        4.8696558064449738     
   4.1842820518802544        7.4036153810114937        7.1593918087097022     
   7.8376022613585423        7.7470145136631841        5.5433922837944793     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.651817739845683     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8973412760668027       0.11954652724025956       0.96718349882098020     
  -2.6830182806452565      -0.76601676400124508      -0.72099956630272977     
  0.84530890111902335       0.65491779272499751       0.53690657929854146     
  -3.4318501934233768E-002  0.25728238980189305      -0.16774145743415941     
  -9.4058588059072731E-002 -0.25664900533450252      -0.53138635884513319     
   6.8032910116125750E-002  -8.8244476070334817E-003  -8.3134719428626450E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2085774803440383      -0.39292297524193193       -1.0561824848932775     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1025581761262526      -0.30352920155475571       0.79941074937840528     
**************************************************
     Configuration num.    519
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6218107534904795E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.4702627917033873        6.9437122211547910        5.4458549469727124     
   3.7126815547481140        6.2218831401435590        4.8407417943940496     
   5.3996996058201034        6.3305324812149220        5.4760678291225098     
   4.7862609447989612        7.7882664012287917        4.8035183281368532     
   4.1795732581780278        7.3802104010079708        7.1690367835775346     
   7.8538895193129266        7.7871386215303016        5.5535491098007110     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.539738212130718     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.39718946945660144       -2.1302050459069188       -1.5398920617711358     
  0.79869924524318858        1.7952913047341275        1.8103862104500126     
 -0.21649759345004085       0.35839625720424834       0.12928438170157996     
 -0.47825317534409861       0.12297116315517159       0.57438404901780782     
 -0.49935703721617125      -0.11678315026179813      -0.89384098186323391     
  -8.3065839495772263E-004  -3.1093051671094274E-002  -8.0553479882727680E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0984131994429356       -1.8973357292707209       -3.2854092810053337     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.97513000910123260       -1.2462724143613126      -0.95246430160788143     
**************************************************
     Configuration num.    520
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6377515265869369E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.4900254273396518        6.8368179206345401        5.3722075858949836     
   3.6449098003464293        6.4006557419735755        4.9208550045151487     
   5.4397980626003184        6.3847361166958887        5.5550115492141181     
   4.7335542745579833        7.7098456949171714        4.8348156098773032     
   4.1608971085948463        7.3834604062359368        7.1794975695685297     
   7.8749392580090927        7.8026651745499125        5.5465622641276582     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.574992995478169     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.59226734345546861        1.2659543143471617        2.5306415149388162     
  -1.1029920638252013       -1.2615537621956832      -0.10125394031415992     
  0.62046456861564581       -1.1726292125397955      -0.39029809709982088     
  0.27282865675956858        1.5689940358297156      -0.52206686139289049     
 -0.33809823104819825      -0.33161837773676728       -1.4391706720421007     
  -4.5975291759693684E-002  -6.8184504996169418E-002  -7.9610583863990281E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0180434801359224        1.4663278547719183       -2.7276164439149544     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.19607284690103169       -1.0095278591360985      -0.13072156677557539     
**************************************************
     Configuration num.    521
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6377515265869369E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.5638946949053114        6.8335120709627697        5.4350498195327672     
   3.5536126839292530        6.5205575840379275        4.9760580455578092     
   5.5349801576740978        6.2779344158326200        5.5433034856301298     
   4.7248094796705651        7.6906041154293732        4.7979066895438400     
   4.1112986793137187        7.4051045724151203        7.1511065241242049     
   7.9000600829180128        7.7828338962378893        5.5529201305258020     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.563112077143163     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4536639931923041       0.35144978577622144       0.32934845476558761     
   1.5271729232460505      -0.93222465862646198       0.85828127928393338     
  -1.0374195413408835       -6.8281922153997868E-003 -0.37356142225065625     
  0.76518602969426963       0.87954933118410605       0.22810758373576470     
  0.22647132054027322      -0.19906505624220305      -0.97634775039248112     
  -3.0229255868462687E-002  -9.1609633051181263E-002  -6.5266642579340006E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.7934400879640200       0.24439211147782375       -2.6073704508302651     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.78855373906805593      -0.44538649493028748      -0.82448547398473937     
**************************************************
     Configuration num.    522
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6377515265869369E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.5903284081658944        6.9264883764962404        5.5078116599396454     
   3.7504860670942710        6.4473913532241127        5.2143539038389646     
   5.3430257896080100        6.2009323449116049        5.4822903055327581     
   4.8961789096384010        7.7993804864883405        4.7869254072840395     
   4.0619801281473524        7.4393081513786203        7.0960826149084069     
   7.9205334274660428        7.7218012567418777        5.5645302793031890     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.470078007930169     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2205543063700999        3.1444260096211050       -1.1203320212246564     
  -2.9900282048752835       -1.4336647980676331       -1.8298141028845349     
   1.8432900483754113      -0.80548696564494338       0.60400560874032505     
 -0.49492076994064849       -1.3647655047183394        1.5329208424177536     
  0.37964883842760405       0.47203081646908934       0.88616829325089841     
   3.9963564980477241E-002  -1.1600738042993969E-002  -7.2757848766502167E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.9859569944132871      -0.26304954143882670       0.24892451050936104     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -9.6033580966265603E-002   2.0067319706482816        1.6545414112525685     
**************************************************
     Configuration num.    523
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6377515265869369E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.5999407355424129        7.0399976851629953        5.4606294612243014     
   3.7273343962707184        6.3786771825960562        5.2097547785235729     
   5.3885270834263626        6.1581909118061544        5.4915807155242939     
   4.8076061111791502        7.8516984559237626        4.8681543773060936     
   4.0903800634503620        7.4644073152136503        7.0745533896815136     
   7.8963486231177757        7.6649188934821444        5.5923502096883819     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.371065800254428     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.56296085677636820       -5.9799820272707773        1.2604810112649680     
  0.14230120331360566        1.0142666261970397      -0.97721926549379889     
 -0.54485675938080502        2.4445000216532828        7.3060638237711695E-002
  0.70419044285800947        1.8321205264428553       -1.4795806773224398     
  0.17649379316753322       0.68553111912990472        1.1864081890089486     
   8.3319520102756936E-002   3.1235293967931486E-003  -6.3706143692523476E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.56793739520413566       -1.4965047952819062        2.2968734787990766     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0020724134097381      -0.12909038634092296      -0.15168355713389736     
**************************************************
     Configuration num.    524
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6377515265869369E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.5720425471648847        6.8832698761186846        5.4531433560748219     
   3.6988954293018206        6.5235194662074534        4.9300267126920456     
   5.6169843131414634        6.5063986050328682        5.5218427334390219     
   4.8278325247896969        7.7063303433872523        4.8073578556697214     
   4.1245375015304058        7.5623370405374217        7.0467232810601867     
   7.8467935158750510        7.5808590876919757        5.6577220182268704     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.587541080440360     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.88674742527513495        1.3464857857260046       -4.9555914518969998E-002
 -0.26642989697012892       -1.3737116423769600       0.24011135104601983     
 -0.54371340067937113       -1.0114359740074994       0.12471397555810028     
  0.10988106160611413        1.2452714868668977      -0.19109944512901861     
 -0.20434618960130099      -0.12954956932176825       -5.4312941015676366E-002
   1.4812768058436135E-002  -7.8977285358032473E-002  -7.1081139258089426E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.51432367538163082        1.0733060616886934      -0.61242948947925624     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.24382302428052385      -0.34132594570925873      -0.26104045787932378     
**************************************************
     Configuration num.    525
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6224183076223807E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.4468056799411571        7.0802558374088349        5.4675956649486848     
   3.4325103376967601        6.7697530449372518        4.9836774014893219     
   5.2053859702154979        6.4321403321813531        5.8124086595716493     
   5.0054004865146942        7.7599139749645429        4.8684422065676936     
   4.0702032258279646        7.8803523500732648        7.0091737705413832     
   8.0000159506457891        7.1706587971706499        5.6446470246079228     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.644983703922211     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1896690490907171       0.37415675367694967      -0.15411055763936721     
   1.9349425489350092       -2.7868863899628615E-002  0.74494737064985139     
  0.61902498866261446       -1.9064970215633368      -0.24196622147195507     
  0.25403847140217301       0.95518601053757701      -0.80843039892222124     
 -0.52675417176231409       0.64831419900918763       0.50892732070600377     
  -9.0718161719235302E-002  -4.4454030202086089E-002  -4.7870087679958456E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7394787096865134        1.6852733187984910       0.23439514665572750     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1529887604019706      -0.19360526628199759       -1.5605106455028392     
**************************************************
     Configuration num.    526
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6224183076223807E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.3720121284014732        7.0638495659391785        5.5619530174523826     
   3.5042650248187548        6.7024803178304806        5.1275601899579462     
   5.1291476605735857        6.3669612121244263        5.7637463963631452     
   4.9721454526201221        7.7495889261652993        4.9461994810054373     
   4.0555818867722051        7.9396740609755607        6.9764569920588126     
   8.0442342200939283        7.1330041753856017        5.6258805052112351     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.636540683518206     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2196072847887747        1.4979853728219377      -0.95112334469652082     
  -1.7752581328216603      -0.81697027822162360       -1.0387718554972927     
  0.93216930870926407       -1.7375891056116730       0.46767371310070643     
 -0.46380967651138605        7.3709682528503460E-003 -0.58778859819201323     
 -0.81787311041350452        1.0863641834355506        2.1587163358313974     
  -9.5753406266066612E-002  -3.6178211642692054E-002  -5.0091186661754772E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3113099429140582        1.7280205166679152        3.1436542463646706     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.96295881908824843        1.4310591430895865        7.0650318621719721E-002
**************************************************
     Configuration num.    527
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6224183076223807E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.4735254336013632        7.1119827376043769        5.5748956576231343     
   3.4897421404211633        6.8263054752624450        5.1300418704303619     
   5.0449990723962541        6.1466127861004365        5.7075783676115961     
   5.0365449645314744        7.7131917478684224        4.9026924035728561     
   4.0051469920080995        7.9721541133492604        6.9983248935048898     
   8.0641445198702577        7.0992140579309480        5.6105937013240670     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.771879977005028     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0852213860579152       -2.3830437114785834      -0.90965744554654693     
  0.54736393936812267       0.10927125913642327      -0.21692026324601937     
 -0.23406050895488378        1.0444180867919239       0.51705988959881988     
  0.66659561525335609       0.76932910206849492      -0.51353655949251842     
  0.15420115566720743       0.48918537982359062        1.1810009764525129     
  -4.8868692724760160E-002  -3.1832694688604404E-002  -5.9082100793402446E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.88388897916284104      -0.66697166724126944        1.5130569923001917     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.55801479230583340       0.25950580249448113      -0.45565634517532450     
**************************************************
     Configuration num.    528
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6224183076223807E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.5986028716453440        7.0650685376590108        5.5125081269436054     
   3.5803138886034271        7.0565405422569718        5.0990350612615627     
   4.9301372363862024        6.0450331986142940        5.7947396552367136     
   5.1800350930575485        7.7440956230573281        4.8348831977776490     
   3.9925350643821438        8.0151769452119233        7.0175122380443744     
   8.0209330962667149        7.0540827736595899        5.6138573634792843     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.543222517075495     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8286532860113707        1.1188463666835067        1.3201865616277992E-002
  0.13164267024701043      -0.74908697723795714      -0.61051885468264588     
  0.41422933722253896       0.89421486132262029      -0.14050503361363037     
  0.35569969529656070      -0.87745455233533198        1.0903355658087148     
  0.91058016423400678      -0.35322097178285006      -0.28248498316661358     
   1.4425302948082468E-002  -3.2395600458285385E-002  -6.7836029993315533E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.63584445984649896       -2.2196533216811383       -1.4054565374239836     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.63865276172864294       0.56009756021011370        1.1173463384139342     
**************************************************
     Configuration num.    529
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6224183076223807E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6717161964980134        7.1195990632519290        5.6028374633352618     
   4.7575293364582336        7.9562846931941982        4.9995204302593104     
   3.7660915723279094        6.5752565632501367        5.3947781805584505     
   5.7450462754096163        6.8640635458517503        5.7801290644358048     
   3.9052705991657413        7.9183899402237019        7.0077814560704361     
   8.0181942328677831        7.0703488665566878        5.5426916147418348     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.477686246847497     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.21924999487294883       0.24184717412298587        1.3616416595259284     
   7.7549875940087068E-002   1.5381901599813019       -2.0964369397196210     
  0.55671831044892706       -1.4581439919344454       -1.1173112994287018     
 -0.38017727406665108      -0.96803826172055762       0.18533856407599619     
  -2.2283617326503673E-002  0.67482922489821906        1.6824427024463677     
  -1.1754725373377461E-002  -2.5860189346120926E-002  -1.3737923539081001E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2060201671864921        2.0978379979555166        3.0802440844346068     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.14144062528024051       0.15020025614351931      -0.23546595538691237     
**************************************************
     Configuration num.    530
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6119866891380278E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.7673960031345652        7.3426005172151321        5.4630328644578157     
   4.5923959913167876        8.2653099670201620        4.8725607858033984     
   3.9734773529604483        6.4387757870315072        5.4165363021300559     
   5.8139222917911795        7.1140615643845226        5.7190838636064640     
   4.1498453991963595        8.1362852088461182        7.0868748982062906     
   7.7286662845844827        6.7292301604786973        5.5297189503108708     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.479710350289906     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.0972260045465001      -0.20056213372897963        1.7714151493838537     
  0.12815436305942673       -1.0529857728912262      -0.61608501498945933     
   1.9128514559512617        1.9602518136943050      -0.61986624201099594     
  0.22516158257974594      -0.34871560790527134      -0.52594978615181254     
   3.6615981456944197E-002 -0.18047268988315718        1.3911699240944304E-002
  0.79345939167747925      -0.17730594960589144       -2.2626120851282863E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.60711427702158216       -2.9876698489821982      -0.24698530610124925     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9405141472719538       0.11322339537474778        1.8629235442285518E-002
**************************************************
     Configuration num.    531
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6119866891380278E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.4621422283042014        7.2028911040636698        5.4900484565816585     
   4.2379652937006389        7.8158770315234207        4.6161695137497674     
   4.1825876229654186        6.1326285926491542        5.5510981881998482     
   5.5092988068948170        7.1103279383893225        5.5703138085218162     
   3.9895606605677152        8.1015165364882122        6.9391670628177531     
   8.0431320160633142        6.8970004063243060        5.6988047646370026     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.821311990199320     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.14887890710411944      -0.44208545648913999       0.28658114977257765     
 -0.46679143326372358      -0.42780562687984092      -0.22076530598697097     
 -0.86949990807684918       0.55922565889243214      -0.34180680162531496     
   2.0503073648362840       0.22721526953247198       -5.6583769691137834E-002
 -0.48670751179429256       0.11510505008516915       0.37564715353527367     
  -7.6766441741614191E-002  -3.2377516911146910E-002  -4.1596911141504780E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8909727864656123       -1.2301910894849293       0.12556117843338355     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   4.0888654828548733E-002  0.53740880997023943      -0.18493968433699096     
**************************************************
     Configuration num.    532
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6119866891380278E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.8587730826932489        7.3367018624910658        5.6572842749303653     
   4.3032478298392718        7.3616222298560743        4.7256437344761864     
   5.0390439347531863        6.3305875222137393        6.0537611615112263     
   6.0036552175962550        7.4835580471775813        5.6407331531489433     
   3.9819442563751180        8.2516366087379112        6.8969746631443982     
   7.7566036588371761        6.6883538915672469        5.6073301807308091     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.641769466556298     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3058207926849872      -0.72879557499781611       0.59652634788981529     
  -6.4575903392661673E-003  -1.1423032212914007E-002 -0.29706087076712939     
 -0.96295796656777821      -0.47068986642346233      -0.11033074089249897     
 -0.99374819909296774        1.0768262799475994      -0.44233783255986298     
 -0.25090983704432929       0.41456566958119401       0.29563656102898839     
  0.90809768544413394      -0.28095163961991942       -4.2453613476969868E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1114247605967145       0.59210032001388302        4.1187123326048576E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.2961163048804312E-003  0.30954994730113095      -0.65080837908445210     
**************************************************
     Configuration num.    533
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6119866891380278E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.8797279224955084        7.3846126596267094        5.6187987188415933     
   4.2375154607207035        7.3506330570085137        4.7315678895816893     
   5.0469645102120761        6.3396282162660409        6.0128819502618036     
   6.0495006291517930        7.4322184115686332        5.5830895152240618     
   3.9819006855560035        8.2479141409715009        6.9070028304812983     
   7.7508981237287680        6.6818570795328069        5.6207878902014432     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.469088178643915     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.72652173006399789       -1.9711408097729937       0.78110865029107979     
  0.30835468673529498       0.17252541360024204      -0.15985370413945732     
  -1.0501337374592867       0.32335129544003494      -0.27912599879026895     
 -0.99483607857601375        1.4297413646598787      -0.40840421365235868     
   6.0961694648156914E-002  0.35624421657610283        9.8121214826224309E-002
  0.94781515239803416      -0.31253439575115033       -3.0607338565727924E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.73414488346832008      -0.26501967563424655      -0.35609352645041142     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.38764079492398545       0.35099450297219281      -0.51419121522213984     
**************************************************
     Configuration num.    534
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.6119866891380278E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.0286196063050008        7.4879549883152512        5.6187655982243259     
   5.5453506931160534        8.1690774076836146        4.9019653879386595     
   4.7066763783099432        6.5438024281587825        5.0647830946093091     
   6.0237618980504992        7.1814491418524931        6.1601734354660564     
   3.7440386266442678        8.2242177728199763        6.6313286128384963     
   7.8320577458424090        6.5834582263692045        5.9191080774363254     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.658276732294098     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7826798568615945       -1.2174660630631580      -0.50887544676595775     
  -1.0542320751112260       0.21671612687830644       0.10798420537998202     
 -0.14417497880957841        1.1570115766507474       0.66571382386893097     
  -1.6059119965069721       0.18480244057995820        9.8741537212111818E-002
  0.11514421019801147       -4.1176914253715856E-002 -0.34700388737635324     
  0.90846556483273666      -0.29974941154685675       -1.4452945655568669E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2599157655959451E-002  -1.1967985400336438       -1.2233439736420055     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.75138914377293020      -0.76076439359313941       0.32810961708599823     
**************************************************
     Configuration num.    535
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3646581274395135E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1612535367514658        7.4925196151242437        5.7937260132163546     
   5.9181329914764236        8.2480874494824299        5.8943934066613046     
   4.8432566766810696        7.2517806754030820        4.7212217244705963     
   5.8291293343865105        6.8407651823042066        6.3281873141186251     
   3.5327834214691607        8.0932173344051339        6.4875002526686965     
   7.9628688060689115        6.6625577522919590        5.9114973025987823     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.501834203737189     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4477350028851617       0.74072817268766489       -1.6820707161711699     
  -8.6548737130079878E-002   1.6508612756549874      -0.70365061113087768     
   1.0233222258499008        5.1467214517542027E-002   1.4301636932823643     
 -0.62940536766662547       -1.9944271446656807       0.73280715353658255     
  0.65593647795540899      -0.31886804749969022       0.24217073870858222     
  0.48345500704391253      -0.13146820295945366       -2.0576564698934395E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.72345821481007244        1.7251563049777896       -1.5054736087696470     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   8.9076774051210172E-002  -1.0919542865571314      -0.85021786051115766     
**************************************************
     Configuration num.    536
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3646581274395135E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3574558386088214        7.5597174168399475        5.9127868801076975     
   5.6918163076267501        8.5724966597631020        5.7334956271633741     
   5.3291734898800938        6.7530751316640698        5.1012120700162935     
   5.3166047349300527        6.9612089859704902        6.8869295715493388     
   3.4812250849761393        7.9692608470873703        6.4079929047094506     
   7.9764927514756963        6.7698244622357624        5.8629088796459561     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.330726194632003     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.6719972456715300       -3.0823559535024603        1.1105138898293416     
  0.67912040933529461      -0.29552405345787414       0.18440696154674591     
   5.6524883806845810E-002   1.6567144503663143       0.63876379738749012     
   1.7220382203162801        1.3705323925665167       -1.2368674616589579     
 -0.87075766734471127       0.35125677548958623      -0.61941857746907969     
   8.2042921190910889E-002  -1.6665261110321743E-003  -7.6991763953647735E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6988794735875383       -2.6567487350705097       -2.4365206049578010     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.74679444537970097       0.19896955758545090       0.99420209810508897     
**************************************************
     Configuration num.    537
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3646581274395135E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4217943763574237        7.5240776495806436        5.9841711189705222     
   6.0994033910931460        8.2962983914785013        5.4664240352534019     
   5.3949615555767636        6.5564391449392687        5.3486599571728171     
   5.6843161752508102        7.5661040490302822        7.0801557850329813     
   3.4461417314196661        7.9129351128504615        6.3593081100299873     
   7.8948831161501669        6.8233246531434713        5.8678228755805435     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.389802714414149     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.68520307353361654      -0.19106214997489604        6.0664310465175883E-002
  -1.7023182786695112      -0.54045595296999205       0.38838728268892808     
  -8.2460908572154379E-002   1.5166399242966142        1.5700149075401622     
 -0.10026295916255305      -0.82108810997582293       -1.3593434585703206     
  0.47512665324765901       0.24274300783289968      -0.59985846078040028     
  0.72610812212593090      -0.20495662554265695       -6.0550429714216307E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.43134817138850190       -2.0639648001536917       -3.2148591518476870     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4345224101764948       -1.3525686666000443       0.84893074719722306     
**************************************************
     Configuration num.    538
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3646581274395135E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7765790229795213        7.4061695163966785        5.9067336929537033     
   5.5363259125333402        8.1000458481975066        5.1723333878781217     
   5.5842922978855292        6.3672898610677677        5.5944323405534302     
   5.9939725142645814        7.8929333227681884        6.8064477204096150     
   3.3836762190386529        8.0552880239349296        6.4710278025169865     
   7.8443833843592081        6.7275259067652629        5.8186707017340007     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.287253758616544     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.45922974657624671       -1.9813179377284453      -0.55740795778513985     
  0.13585343151171747        1.2674252466924951       -1.8023843604358669     
 -0.67010618720320736       0.63851853622239574        1.1530926052780806     
 -0.22178020035296223      -0.22520404324633514        1.6529272987947552     
   3.1558993503680695E-002  -7.1140967515220421E-002  -4.8831072271654299E-002
  0.26468521893402785       0.37299035795427948      -0.39650618485704514     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.35691261794465018      -0.72871111207939898        1.6863048840123402     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.48972279215457665       -1.2921145480722740       -9.0531447419958208E-002
**************************************************
     Configuration num.    539
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3646581274395135E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9028722073362712        7.3374797044061451        5.8973235545653342     
   5.4911783004700165        8.0594102512593011        5.1191604166489189     
   5.5701718725755098        6.4133259421474946        5.5945467729756340     
   5.8942248563637341        7.9603066346356455        6.8082234279378024     
   3.3988789303864411        8.0812037709943976        6.4527626418452986     
   7.8043352535486896        6.7166706100987765        5.8459098983771938     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.277889921750557     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.98109158717506184        3.3961290162562281      -0.55600154527503565     
   1.3215892989842746      -0.52262310699838543       0.20650018275873730     
  -1.5419059820435639       -2.1586021664986856       0.68392486906181460     
 -0.29151029125092831       -1.3988046262136948        5.0884911289517665E-002
 -0.42558029323575486        8.7453365289651558E-002   9.6941293077095220E-003
  -4.2330914647299239E-002  0.59633749227629285      -0.39605685933320212     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.70341327725448755      -0.13768833571172459      -0.82405272293166354     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.7613216119782005      -0.18282035131955288      -0.97565545066161885     
**************************************************
     Configuration num.    540
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3000133242445344E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0093760793972226        7.3178997800838443        5.8651301088850341     
   6.2522116187104047        7.8961092635926153        5.0303169102142773     
   5.2694333824066986        6.4716911422796741        5.6474045790196241     
   5.6106797241782642        7.7906736529889118        6.8088173816208624     
   3.4548191479468153        8.0966052944007156        6.4360974760336127     
   7.6923710946894577        6.7388808416288617        5.8774748600565525     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.385935825123621     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4827663485433613       -1.7086097055385523        1.1189478023140333     
  -1.4139847951356210        1.8248613407375462       -1.3076008834361044     
   1.1453402009381710       0.98826390598312408        8.1102103348637017E-002
  0.89352588498181240      -0.14079797206479083      -0.93472698095523465     
  -1.0035331402921288       0.33271406473834875       0.12638013188996589     
   1.8614809252933657       -1.2947682867236636       0.91442069406402149     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.6102146338789867       0.55370627158574248      -0.29431655563793996     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.9780488046435578       -1.5626183096958659        1.1315197803977008     
**************************************************
     Configuration num.    541
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3000133242445344E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0822595054581026        7.7076007223243916        5.5969051286199294     
   6.2912118136647690        8.0296341505096009        4.6197783700482251     
   5.1320359726081284        7.1200904592140075        5.8320838842598235     
   6.0366693576006263        8.4189531163297016        6.4626521006985316     
   3.5122211418528151        8.1552048020130883        6.6058934309746133     
   7.5733164196357485        6.3891490550550545        5.8630888366123921     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.484757127058632     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.29575306659126038       -2.2035236330662111        2.9327010884287956     
   9.2868352068138735E-003  0.76276860887201259       -1.3214130525983609     
   1.1752242335436136       0.35688510072563007      -0.95486768261494559     
  0.80494265936657272      -0.24702704950729826      -0.88619895874924692     
 -0.94780938973950402       0.34881848528696308       0.30265016763951663     
 -0.74608323197865978       0.98008335915488609       -7.4595971898972074E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -8.3047382895645019E-002  -1.6944289628226137       -9.1804659275834307E-003
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.42234525398570844      -0.24329440177675185      -0.18385221404459787     
**************************************************
     Configuration num.    542
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3000133242445344E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0752889445285563        7.6748104981788936        5.6422026528483045     
   6.4167394209563824        8.2228498009131101        4.6919016816682619     
   5.1816352884722896        7.1280268896712080        5.7632804502361861     
   6.0228881250082864        8.5812229557441349        6.2732833932142613     
   3.4960938561678088        8.1711621650032651        6.6213190001841875     
   7.5736013406427620        6.3432973446503000        5.8533081142717558     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.259738256406536     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0735173760023313        1.6374564549958004       -1.4940619284489656     
 -0.95754772674776922       -1.4733337737036338       0.38051982255949640     
 -0.96063920890736099      -0.83892090777986450      -0.38175421677212606     
  0.61143327107437984      -0.91656863532891131        1.1240490273586570     
 -0.81115581207860532       0.31843912029052734       0.19955271437884731     
 -0.95527631818182124        1.2719832664230746       0.17454029716944183     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.80104858325463169       -3.0241040784194020       -4.3942888470662210E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3287221789557215        1.1898131099021556       0.16258943927187830     
**************************************************
     Configuration num.    543
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3000133242445344E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0884175156619937        7.7077644255944273        5.6308209647061309     
   6.4132992615197981        8.1902654154996384        4.7479666196339627     
   5.1276059187336536        7.1323338467483000        5.6166507992306665     
   6.1646873372074165        8.5647964533449787        6.3067118549192145     
   3.4816700728708945        8.1527537758260564        6.6329580249062943     
   7.5740628076341601        6.3555851262838372        5.8519714747248130     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.422050757259964     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.80298740474213592       -1.2185954981137546       0.33726717617529456     
   7.0425933371808941E-002   2.5387990357727670E-002  -1.9122054817762422     
  0.93934597707413303       0.57767902808954608       0.21749110169849636     
  -4.8998565214629239E-002 -0.85325880863031278        1.1383105969013350     
 -0.76192013725261964       0.28207739524339220       0.17165804911196544     
  -1.0020953412208684        1.1866885677989820        4.8171206721149641E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.62004164752919000       -2.8597529884440780        1.8780707917447677     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.45038478757276462       -5.9947332910910013E-002  -1.0104524612962080     
**************************************************
     Configuration num.    544
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3000133242445344E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3402350632286391        7.5568082482069645        5.6094737447309759     
   6.6397082147480724        8.1830319483669580        4.7688444544014859     
   5.2912418885228929        7.2593737085231194        5.6410362971300687     
   6.2855777333099256        7.9556052501381860        6.5965787875451909     
   3.4647886266277754        8.2491002701017706        6.5946202853626756     
   7.4479853550449366        6.3655956083108185        5.8597301489693026     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.389779485047711     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.9662488182514386        1.7048424967278981       0.17125183678759789     
 -0.27994925415497091       0.45910601337608403       0.17047212002082859     
 -0.47865268407701800      -0.52679863250390668      -0.99732659861994144     
  0.12583208135586871        1.9706693829734185       0.54320502100210089     
 -0.33251611076475379        8.1746771089872231E-002  0.11539038119921166     
   2.9298889075358607       -3.6900059120667303       -3.1518703067025637E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.9322450241500686        4.7640766363130487      -0.11247354745996521     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.4366681004988728       0.63135798646677821       0.68498870434689507     
**************************************************
     Configuration num.    545
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2426986697803176E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8727999065606351        7.2077902576800881        5.7809784681190299     
   6.1564220708662711        8.2274249877423689        5.4327305382887872     
   5.1662490308491433        6.8252795054886191        5.0161396381940868     
   5.3787948740406080        6.9879674619785410        6.8868781117499767     
   3.6115099952473448        8.5355929587391586        6.8864943470546569     
   7.6305622435556177        6.3504878769829132        5.4726004465913913     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.523750760686426     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.42290189675217288      -0.46621992692031017        1.0295409171736727     
 -0.41790680847297612      -0.41035545466625889        1.0953004870809229     
  0.41955142634608150      -0.26622896899021564       0.30476292309721664     
   1.6971847934953663       0.93916768047439791       -2.7090444399636988     
 -0.29941814091338614       0.13340245532215572        7.0764309972885325E-002
 -0.97425649971883777        7.1334203563225521E-002  0.20681029867214656     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3941523158635474      -0.85085992113762388       -3.8364304907489730     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.46069591177364544        1.3818623876082130        1.5463002394304872     
**************************************************
     Configuration num.    546
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2426986697803176E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1457553974311239        7.4209203899011884        5.9550724663152765     
   6.6106313809519479        8.4627159491543917        5.8617367420730506     
   5.1299935731708821        7.1939981346839676        5.2822834569312089     
   5.6851527683064838        7.1146669834078144        6.9721643046469115     
   3.7253255587847267        8.6375843985999996        6.7706220894835001     
   7.3425522426634666        6.0938482418704965        5.4414389447061398     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.476969725981235     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.0838721129456537       -1.1398111141437430      -0.50324123450689917     
 -0.75191853973887357       -1.5041139726879262       0.15456968133729174     
   2.8064277546430807        1.1714456980320576        1.3063528739906229     
   1.2840482520693532       0.86824258445010205       -1.2378661310224746     
 -0.49263021178945021       0.33081448383696765       0.19578185572334378     
  0.23656336153558180       0.27399267388486931        8.4934394663955692E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4676659962727401       -2.3435073551046077       -2.3780726072404019     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.4893366612664911       0.32521058258440200      -0.95414260363876002     
**************************************************
     Configuration num.    547
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2426986697803176E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1713628257808875        7.4341609609669046        5.8313533534592290     
   7.0406322952722595        7.6279095646501363        6.4848292487713612     
   6.2725215584294602        8.0454814034471678        4.9935070078507300     
   5.3626680908633650        7.2094362710522946        6.4865218374172029     
   4.0573242419089688        9.1779925042748012        6.7613759804829572     
   6.8608413289677026        5.5363804462771107        5.5096728940294000     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.409365565568347     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7262088494717736       -2.5082580154028924        2.5485763376584321     
 -0.30210914136539052       0.52155779534634428        4.1129873992806574E-003
 -0.75554341863055252       0.58869609426199787       -1.7738468452878893     
  -1.2153571327909303       0.25265108585101781      -0.43547624597184120     
  -8.1519831973909801E-002  0.26959172986050894        9.5049778143248581E-002
 -0.37205315652310705       0.87653952057358997      -0.43670579175732327     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.7316758053968897E-002  -1.0883620316050699       0.76750371293112574     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.34365573354976425       -1.6736190429964107E-002 -0.28497647997923842     
**************************************************
     Configuration num.    548
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2426986697803176E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2983566123002115        7.1447135441135305        5.7978812603871335     
   6.7983147566195203        7.5863973535086657        6.5994359775183797     
   6.1323749502075451        7.9304662975384064        5.0177240659122404     
   5.2117990901677818        7.1084300581983859        6.3878604871005109     
   4.1716491172794870        9.3112184173655113        6.8166708645048608     
   6.7636662073668843        5.5302717600344096        5.4611865611575183     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.471213550620405     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.9218863536132789        1.1796040295976451        1.2277378250938660     
   1.7761135913604220       0.64865005847579282        1.2603990729604018     
  0.33807093969774438       -1.0526107254214179       -4.9944484548517548E-002
   2.1085346713506099       0.19499861340786562       -1.7580483986893709     
  -9.1544524482956524E-002  0.12030262920936879        7.5694806974085316E-002
  0.78800651548069367       -1.0906541553050086      -0.75556617882244614     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3100383786614482        1.0033656978302214      -0.20561851437519946     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.43630128948291375        1.7901120563736745        1.8837896629738395     
**************************************************
     Configuration num.    549
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2426986697803176E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8204125856673654        6.8083226377813091        6.0108823086365355     
   5.9738700320723419        7.1614237936352456        7.0189761773119299     
   6.0582190595489331        7.4979705048231526        5.2967064033086189     
   4.7357804427229624        6.8616813366125182        6.0652732267600875     
   4.5197817586558351        9.6300094910324709        6.9185982121479617     
   6.7325465904028414        5.4500292851504728        5.2446822609879282     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.483164804657235     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.95938056080085565      -0.41005928890488996       0.61328836414842813     
   1.4442145398525792      -0.21928032252422741       0.60726307388212519     
  0.62064068664089445        2.6761342693600332       -1.2957515204430290     
 -0.73697465763435699       -1.2166103727515121      -0.71530381707571844     
  -9.3813433049987922E-003 -0.10410332920375957        2.2097170493234956E-002
 -0.35685204743693083      -0.72384830721373117       0.76959341033945527     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.27436419794973887        1.8585198360009787       0.30761693733486400     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2910578795768022       -1.6016941058341378        1.1489695383054948     
**************************************************
     Configuration num.    550
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2082306353473688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5325888172727664        6.7824476759691503        5.6947967979579284     
   6.2202678933579110        7.4110754544145632        5.0630924279399272     
   4.9018344526678295        6.4326119663881860        4.8598284515285304     
   5.0123403924678884        6.9280913116255194        6.5958493475302653     
   4.8532954667509598        10.037113533709270        6.4982886287913777     
   6.5680103585605094        5.1362310777174311        5.9821792583937921     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.463775436683132     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.7384783142993718       -2.1204286133969679       -3.4884832920140791     
 -0.30264567903136591       0.28302411035930741        1.9334416412758313     
 -0.63454769209758322      -0.13897072054924262       0.55882221758684369     
 -0.20263718423500343        1.0827974735237325        1.1335654140711044     
  -2.9484984591975117E-002 -0.15923942497297197       -6.0814952511379576E-002
 -0.57106237415569483        1.0511141407314861       -7.6403322261540924E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.76705117270640022       -1.9502899522254495       -1.2395370046750558     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.85559445350475050        1.0037451252418796       0.32331121695511056     
**************************************************
     Configuration num.    551
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2082306353473688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4418861313523728        6.7991366094838321        5.5919794852688627     
   6.2290560315616439        7.3956162389256956        5.1258546626014123     
   4.7738985594914833        6.2547831954350874        4.9267765396809171     
   5.0799069721868282        6.9385643428917492        6.6993373401014225     
   4.8702534144426206        10.056903002108264        6.4598429035767220     
   6.5876009303623890        5.1314137989852648        6.0291474071316582     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.388188820233609     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.81247942469657786       -2.1619252976185557        2.6398152237789332     
 -0.50262632575154931       0.44908258289525588       0.39328226758705981     
 -0.39169130058709423       0.52690461760562313       -9.7934433246077188E-002
  0.62102549125969086       0.53149898296832565       -2.5147201849950704     
  -1.3578686598538253E-002 -0.21117772705860058       -8.0221569477596150E-002
 -0.52528212227196724       0.86587249130096944      -0.34129454800474657     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3811757220022518       -2.0911295152416365       -3.4206861596192626     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.85957602515336695       0.21468002881928677       0.86410942325865092     
**************************************************
     Configuration num.    552
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2082306353473688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4230479997982020        6.6751723872096154        5.6234398847752862     
   6.3018988687077142        7.4171333450325756        5.2666802330880449     
   4.5923703351843654        6.2260743564173087        5.0254008058156874     
   5.0987610106833756        7.0137298783142823        6.5298289834677066     
   4.8875875045116857        10.063675188992987        6.4055658139317124     
   6.5867842067434212        5.1589698512816886        6.0648749585592414     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.420851540665812     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.6969128125043773      -0.81939731752460709       -2.2686188132802547     
  -2.7261365646350111       -1.4381103784226190        6.9884867715986509E-002
  0.93713845961397868       0.71978312392521615      -0.15230437371643984     
 -0.98359369484864290        1.0204995022525885        2.6064825729225247     
   9.3507638971554474E-004 -0.17832589139743157       -4.0950681476020059E-002
 -0.92452966000501779       0.69350803775978975      -0.21537736473160657     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.1409443928618339       -2.7076292981653567        1.5714671106362601     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1698292370907240        1.0835515839979954      -0.81304770815934124     
**************************************************
     Configuration num.    553
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2082306353473688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.2990697378444969        6.6563870133223348        6.3908537044342912     
   5.7926119828204676        7.5565438798295510        6.1878670441524930     
   4.2638278608979157        6.7322104532253322        5.9177098980246621     
   4.8888758737680327        6.2290237896520697        7.4165353416807180     
   5.2182348223852166        9.7791777240648194        6.2570001268606257     
   6.4163478976049042        5.4655322741538477        5.6487996721197753     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.474159939449237     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.2691723564715747       -2.6377699953276759        1.0701221105745251     
  0.48452103862559004        1.9979466747100492       0.92174967273029718     
   1.2818778055285058      -0.27449677966385383      -0.52446320534415469     
   1.7607588136781573        1.2717558018934219       -1.2371332685588921     
  -3.5917571932542275E-002  0.31911313518359752       -2.0332085514680628E-002
 -0.22107557584681611      -0.67484711721412260      -0.21120414483382491     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4167922918177189        2.5218670208652028       -1.4830534144524647     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.2495915192972270E-002   1.3664584424139394        1.1675436465105105     
**************************************************
     Configuration num.    554
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2082306353473688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.1199876287328667        6.5013285617630903        6.0920637928768828     
   5.2567035272707434        7.6984434252179827        6.3630929650081276     
   4.3656081475943411        6.0403731818325879        5.4509541135320276     
   4.8808308320642135        6.1118854775116258        7.0781091729038765     
   5.1466493245438460        9.8276947877873653        6.5458022178600768     
   6.5984923905882358        5.5448100716350677        5.5322986489388883     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.623487547560217     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.56790881204402799       0.80321063257788472        1.0652675095235755     
 -0.18372882657409370       -1.8030289834902666       -1.6023752842623460     
 -0.38543060165287635       0.95031829374257315      -0.38314091347795487     
  0.11464416490766142      -0.47603849071527649       0.54077010864392705     
  -1.2031765358070393E-002  -6.0594285127890717E-002   9.8210684566925388E-002
 -0.10015409417253841       0.58569754902765980       0.28270691803763909     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.42823983825360634       -3.2179676767228882      -0.30834178669746953     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.5534519389075375E-002  -1.7752338261115095       0.33670920483769184     
**************************************************
     Configuration num.    555
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2337428559954211E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.0072433604194924        6.9687409467208097        5.9518901939891649     
   5.6534737474681691        7.7574415686470202        6.4674935628843011     
   5.1772913893051298        7.2451559348771957        4.8855424407798962     
   3.8292906805193647        6.7759023200917357        6.2108868782614497     
   6.0577818840998745        9.8452289790374206        5.7522505771468895     
   5.7078522622864920        5.1514182347149049        6.5231977235593357     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.363936294022096     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2911771526516187      -0.86276501892773361        1.0240099195690897     
  -1.0941081730078759      -0.82621294419188696        9.5214500477718539E-002
  -9.6311850810235689E-002 -0.98616357480677996       0.25062704029660959     
   2.9041863967684125       0.95998282887438369      -0.47758620102503652     
   2.9266106718201304E-002  0.18737747480019196       -3.6410540592828486E-002
 -0.45179787567348928        1.5271653798948637      -0.85532807037238934     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -4.6183802072811746       -3.2502870244027933       -1.2811027464096290     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.50788519506675145        1.5822521497795441        1.9000474553963025E-002
**************************************************
     Configuration num.    556
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2337428559954211E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3266242652980651        7.0238641291179382        6.3904100704912628     
   6.1469322645303981        7.7580868634961782        6.2529800534068585     
   4.8926997929637990        6.9294307798933987        5.4596200896281646     
   4.6674047080114880        7.2601282405857299        7.2622930546153812     
   6.0758179777177519        9.9203300958550606        5.5968958954265862     
   5.4634881332033922        5.0385581472823624        6.3707944299442545     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.426750685783190     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.3143429219160015E-003 -0.82040344924982034        1.5288763965342322     
  0.69663179776528117      -0.64454004572624357       0.47140726161336299     
  -1.7139345732558600       0.77579850531647720       -1.8579959358927780     
  0.37201145470807329      -0.22804490190605575      -0.79775937649066897     
  -9.2004099211297000E-003   9.0568080006287483E-003   1.4445548538787283E-002
  0.65701167156163376       0.90965649224923417       0.64108315200652188     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.51016512970646644       -2.3759032108223619       0.31934875634398202     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.54223749281283617      -0.79619447373277874        1.6643323514753268     
**************************************************
     Configuration num.    557
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2337428559954211E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.3140726189299867        7.0047722944847690        6.3640303365896562     
   6.0895432234491089        7.7598005385779025        6.1556215416586335     
   4.7873830580911632        6.8502595882312045        5.3431491117259249     
   4.7551010790102373        7.3667008410555512        7.1898826884660885     
   6.1351370425270835        9.9215431772205473        5.5884586418639914     
   5.4168843659527370        5.0405282010597876        6.4204639179324614     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.318341138733786     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0448583947273868       -1.5968375135516231       -3.5140649131319908     
   1.2384656067257505      -0.60071297023541648       0.11860867123842855     
  0.13261932675968852        1.3238667660819152        1.8170969442835365     
  -1.0645832349969804      -0.11224546650773562       0.80801062471762486     
  -9.8521765311210732E-003   6.0298347053273759E-003   2.0564034485903937E-002
  0.75038460835491683       0.98131089955637962       0.74926965706431370     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.88633583097056934       -2.5986431776542975       -1.6277862229029647     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.91841681471309033       -1.1732796655504731       -1.1215041706939113     
**************************************************
     Configuration num.    558
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2337428559954211E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.0717768786317992        6.9613484814922142        6.2402839161919230     
   6.1048123213719885        7.2861116768650405        5.9989797778841520     
   4.2726999811241262        7.3609401065808973        5.4697979061704816     
   5.0300917255466659        7.2236684082397531        7.3875369916947156     
   6.1501152328259554        9.9646308746854846        5.6898744000791037     
   5.5093133757992003        5.0241160041891408        6.3420553218701263     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.374271294293294     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2478045034049188       0.19241375018783780        1.3235262779600072     
 -0.78682918450960393       0.28843636638525072      -0.46228993685039760     
   1.3663671428352671       -1.2161701674663190        1.6824476859215027     
 -0.80244876037811408      -0.32085389778592521       -2.2415916308265444     
  -6.7451757551738975E-002  -8.3151580431923694E-002   2.4232860110052854E-002
 -0.95761022192671263        1.1384774159430149      -0.32496626401370277     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.7102284937952144       -2.8757536179601484       -4.0225271085710599     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5668217509301421       0.61223637938434017       -1.6919518679469874     
**************************************************
     Configuration num.    559
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2337428559954211E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6513672344218886        6.9802217316551607        6.3872282312391331     
   5.3539586844865266        7.6822201003423931        6.2225833679623843     
   3.7013646839065957        6.9537770882366061        5.6630509300570324     
   4.1301777867189120        7.0109131328846690        7.4291650712356043     
   6.4113433292203696        9.4811193122761956        5.3681681241906851     
   5.6412241316409411        5.5264850080894465        6.5622501053022022     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.427647203422570     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -5.4145098297800320       -2.7515786549967376        1.9892655625418714     
   1.9688434982514691        3.3696490869906048      -0.85242738071603141     
   2.3422130076750216      -0.29043688504950393       0.83233106082972375     
  0.87621110383963408       0.59492389915399935       -1.4230268435493634     
  0.15372434569043308       0.22268005147767220       -7.9194259714444881E-002
   7.4302970405864810E-002  -1.1461141303787943      -0.46964607610214959     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4317837833010054        3.9482857421403832       -2.2977627974648698     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4570470452635123      -0.13508125333922327       -1.1517702717776905     
**************************************************
     Configuration num.    560
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2039671367733719E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6063108552116399        6.9006627934985829        6.4453403546246912     
   5.4140875926224519        7.7556701974343509        6.0379546017054508     
   3.7725711564260420        7.0424145150928901        5.8587522835809018     
   4.1297953982327202        7.0406937625177024        7.3495262451311172     
   6.3766066974991737        9.4730699350384935        5.3551849242094933     
   5.6764504314302142        5.5398402774060553        6.5632817142012954     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.136019724720882     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.0751813788165308        2.7501490736736973      -0.90538583444090215     
  -2.0217664473092154      -0.85693486780669481        1.3155078954805643     
  -1.8130503566737541       -1.1550699066772416       -2.8617849882641400     
 -0.21223848891766806       0.70224972528820206        2.8837317140110019     
  0.12045800157296900       0.10184089847441503       -9.3561134735648144E-002
 -0.14869906632711960       -1.5419826387119835      -0.33876240593083651     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.53017645056385787        1.1473486289134363        2.9821064336664382     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4220548253874641        1.2624033552155427        1.4208158068473931     
**************************************************
     Configuration num.    561
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2039671367733719E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6328972988570580        7.0824068764852184        6.4863961203643257     
   5.3995650742729113        7.9706376139233184        6.1317980502945097     
   3.8369196576995406        6.7061538211399014        5.7932341331804800     
   4.2417720821886338        7.2240749974255785        7.5157462272193571     
   6.3261966959514986        9.4308810435539403        5.3051265342121630     
   5.6995978475226527        5.5134516152131248        6.5774813073857654     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.732105220243284     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1980354974577707      -0.43083662450377291      -0.22833788038065564     
  -1.5948815823689855       -1.3604464531673874       0.23287296071494942     
  0.43307842287883802       0.81815583552782578       0.34750165731906052     
   7.4551853754037056E-002  -6.3271323237315130E-002 -0.37012514844945876     
  0.28554673263438057       0.41354176612737659      -0.15531943503178924     
 -0.39510603642798375       0.62448129337225056       0.17175917880237948     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9552359180093355       -1.6908566644251468      -0.96904846503229813     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.27133147180247214      -0.52766722828981638       -2.8154491574818079E-002
**************************************************
     Configuration num.    562
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2039671367733719E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   4.6636468683717904        7.0907044557814842        6.6852378446854406     
   5.3067274613381805        8.0187410996515815        6.8105436154511825     
   4.0529927109670369        6.8793654882502624        5.7895712670913921     
   4.0328789367338658        6.7015930246675177        7.5525870693099852     
   6.4118487989311896        9.3616228371065251        5.1644285501718707     
   5.6131925710751744        5.6138779895095308        6.5704913068985462     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.477050556762833     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3281349025898601       -1.2341621215119678        1.1548220324039651     
 -0.80654339772974459      -0.75932098761490252      -0.63706507009714375     
  -2.2029610902870619E-003   1.5590752895394850        8.2631067587318738E-002
  0.23482405304318460        1.5677574508655441      -0.50740062139129560     
   7.7628695444022192E-002  0.15503259888554305        6.3050831239561756E-003
   1.8251381035662879       -1.2883232377334841      -0.10108654750490886     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.58107951563463667       0.24958077962700351       -1.0543717463477174     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.1200387534815790      -0.19947989896534002      -0.21053918580707304     
**************************************************
     Configuration num.    563
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2039671367733719E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4057992452841104        7.2110211234510340        6.1534180057003365     
   6.0562652956277683        7.6567464797619813        6.8050160117724330     
   5.8362789598991727        6.9056960280133390        5.3332383005572455     
   4.4241815498148167        7.5675018434036412        6.0573693976541119     
   6.1692658421682154        9.5787522852286688        4.9518910474497257     
   5.2744284208428489        5.2961617800465319        7.1840104205852020     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.390682199612229     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8372143270898056      -0.74486928122145146        3.0618788827451908     
   1.2966444082759463        1.2277091282671986        1.7892186595285644     
   2.1748071631759731       -1.8026097196088409       -4.4519249640058520     
  -1.3782989725825066       0.36886933758867685       0.17950352413150422     
 -0.11045673506955332      -0.14386465994884659        3.3396874150030842E-002
 -0.14849576031588413        1.0948869633931309      -0.61474974688434525     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2356131980406300       -1.3669861596300019        3.2748205283987297     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.54858049758223904        3.2779779012555621      -0.75230544480760519     
**************************************************
     Configuration num.    564
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2039671367733719E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8427034042998436        7.1507039788610944        6.1662777802037976     
   5.9488750997176520        7.9209173714927852        6.8351463485852699     
   6.5219623617114300        7.4343501030548191        5.2835503919883129     
   4.8582269916530922        7.2476602711269624        5.7083812302010113     
   5.0156773498381479        9.4487806997113033        5.1222664714571122     
   6.1657821109023274        5.3932034483689266        7.0508596095943652     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.494954151862881     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.60176131472477890       -1.4196026774194901       -2.8764699303859613     
  0.37059272686938055        1.4426107678525226        2.3760977854064285     
 -0.26078145749284398       -1.1897353544077724        1.2189007323924559     
 -0.40660787533556275      -0.88353992476937737       0.39388037153656347     
 -0.19768891027187963       0.81831359544606752      -0.38457650088861850     
 -0.10677673103785024        1.2294479962329712      -0.72843311466233296     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.18074982517364974        9.1872650089800209E-002 -0.43016289012189352     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.4284704864212621E-002   2.4524154992120999       0.70386928977199437     
**************************************************
     Configuration num.    565
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1617943048601683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7356090683256475        6.9488549329740472        6.0158295411084399     
   5.5328529415006225        7.8354371868719754        6.6151211801768355     
   6.5396255928216549        7.1832618486705204        5.2155857810384001     
   4.7422994344321223        6.5080533097790978        5.5168208433483521     
   4.9896826713133589        9.3399612126549965        5.1586174360653549     
   6.2860835055497892        5.6918266330407059        7.1195839408600561     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.500996595621245     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0718499864962447      -0.50428928082590474       -2.2768979803515523     
  -6.8470649628663074E-002 -0.13310151942471340      -0.17222946550282769     
  -1.2927460932979749      -0.44562237843548708        1.2677806387292763     
   2.0784579651024306        1.2463208667900942       0.87795773740639294     
 -0.44855851851143808        1.2888565610737688      -0.67573386108500388     
  0.80117052153916068       -1.4544954981001035       0.97954904807872034     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6355257562126946        3.5090711099544718      -0.37753569617216653     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.0699860795168856       -2.8223751946374800        1.1288919767729191     
**************************************************
     Configuration num.    566
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1617943048601683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6729811862835753        6.8955843587969143        5.9751172591351320     
   5.3863721401334574        7.7890034052971311        6.4689155814526602     
   6.4397439004156878        7.1543993572840705        5.2693830736055993     
   4.8530136678973994        6.5180912995443343        5.4418735246262608     
   5.0186516236270116        9.3296515326613552        5.1526587133741861     
   6.2936366115228459        5.7275464616600109        7.1582174080946395     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.625576142541608     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0040843755950328      -0.16310479394138871       0.28444688836888954     
 -0.19871269178642284       0.59995850192123323       0.80063458576850788     
  0.67375569943082692        3.6003117448903985E-002 -0.27342063722185461     
  -1.3923734296960715      -0.88813772850791883      -0.65719257162483491     
 -0.46652123412697932        1.4689661277683408      -0.78175956284850034     
  0.37988866360970763       -1.0526197215690341       0.62584804989962550     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5335915889480205        4.8962529690234931        1.6369604434791993     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.95345744669213650       -1.5865179676067167       0.92317481295998671     
**************************************************
     Configuration num.    567
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1617943048601683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6407592359625198        6.8393664747946792        6.0098783503937856     
   5.2162081262402102        7.7781536670568689        6.4070006140844393     
   6.4452726068340267        7.1274366058798968        5.2740324631391076     
   4.8889106693228470        6.4625452637880194        5.2576126278871005     
   5.0298546589249504        9.3200998449407475        5.1525948881146926     
   6.3078748948581440        5.7666772289043209        7.1737549712941631     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.443278131183888     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -8.1578880395961811E-002  0.91509928683519581       -2.8166788597564194     
  0.32048183708196543      -0.50710561937100396       0.32258975491628822     
 -0.31467089257003672        5.3205601707939212E-002  0.98341303094533739     
  0.14479928723725222      -0.49629494124295487        1.1117085209034576     
 -0.44909905434548114        1.5668079119247822      -0.77669481794351714     
  0.38133135734880508       -1.5302866097183383        1.1749575956886662     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.48822796638846383        4.5169667333812829        8.4390311655754363E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2429096654501854       -2.7649289109406086       0.99660406919570754     
**************************************************
     Configuration num.    568
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1617943048601683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5680895224539011        6.8649250921410356        5.8499065749763028     
   5.0276108481535395        7.6810766874330119        6.4362785915932461     
   6.3980451231572477        7.1974896614034618        5.4653111049422138     
   4.9288468356674224        6.2490915870008585        5.2893458539418452     
   5.0231418180463789        9.3811974058773426        5.1647836836660419     
   6.3613084733506664        5.7240527407853348        7.1872977531290099     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.337185062747498     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.6052178417663643      -0.61531004911128440        5.0141454422416984     
  0.72706788820781565       -1.3392076547863854      -0.73145964620549420     
   4.2103510981270675        1.9467218115045939       -2.5845417227072676     
 -0.81013893018681260      -0.82300405820927658       -1.0137473219133877     
 -0.30099989378498249        1.1251884806451531      -0.60844420927627640     
 -0.22268390770175489      -0.29252819253237039       -7.5163187745105969E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7702662876105331        2.6471438273002597       0.82808265767920208     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.8612300672745279       -2.0485813462658924      -0.77160119470541122     
**************************************************
     Configuration num.    569
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1617943048601683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5868876450415890        6.8565008587844414        5.9466907435547363     
   5.1623986506592452        7.6884753533126222        6.4045533382862025     
   6.5386822276049017        7.3784496571140892        5.3873612930710246     
   4.8454896276094335        6.2847452581421761        5.2559225656308843     
   4.9604159149402323        9.4128915601862584        5.1841656486009873     
   6.3959957042433979        5.6699383155802963        7.1512717458044532     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.428191828049194     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8381392760956770       -1.4293837226220922       -2.8107871543609626     
  -1.0771821256498777        1.1130078718137784        1.4783131607243527     
  -2.4106314357427916       -1.6059255816415281       0.89850830811835769     
   1.4018247701231157       0.86344397517449445        1.0628586417998158     
 -0.32461647628406298        1.0175945309429701      -0.47776414869279421     
 -0.42819216373088842        4.3507547257189437E-002 -0.15259612091841429     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.2981212347585198        1.6588773111281878      -0.83382947121951956     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.9718023407039045        8.8209184691933187E-002 -0.35604247764227093     
**************************************************
     Configuration num.    570
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1080378798081942E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5820566804294236        6.7540295765960288        6.4428675658139536     
   5.1523658441759270        7.4314684918234555        7.2174065741711733     
   6.1974487111370316        7.5808545684114783        6.0847465887845100     
   5.1055059385444075        6.3947247084860477        5.5436460963069072     
   4.8332191837515346        9.5763087713347481        4.7834411977110340     
   6.5351244232475514        5.5349890075643131        7.1810423123615124     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.615576799712244     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.43413147502357718        2.6831564517988635       0.15647537305605497     
  -1.2174076497863118       -1.1310374268687284      -0.39905896937068869     
  0.85450347111200331       -9.4706173796710966E-002 -0.72664417183875041     
  -1.0481428002491233       -5.4295495133181812E-002  0.15845208210689354     
   1.9221987618346176E-002  -3.3061388393220384E-002   3.0944681691442221E-002
  0.95865028952063380       -1.3700306225055336       0.77978096994301516     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7404500624719244       0.33616819611029913      -0.19254365973888726     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.77442994230124307       -1.6081601603672642       0.34219252034986775     
**************************************************
     Configuration num.    571
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1080378798081942E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4298845866620518        6.9724565414331847        6.5454194001662245     
   4.5957087841737900        7.0329771800163483        7.2200695950179572     
   6.0667574965174058        7.7619327246746126        6.0807238332480384     
   5.1749809372175717        6.2193761607398974        5.7819130710656852     
   4.9190978700408312        9.4499958607370527        4.7579367356795492     
   6.5705114160836988        5.6316153059853606        7.1450744295228441     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.445670231815257     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3183221573295398       -2.2403095509472593       -1.8533792413725403     
  -9.4470292116161023E-002  0.87219879552317470       0.55743571403537073     
  -1.0293953520652535        5.1854267653784862E-002  0.78663921038255014     
  -1.0228907457560803        1.3562136178915751      -0.72468211699737339     
  -3.8267579545216826E-002  0.11363535310909792       -9.1238804417964808E-002
  0.86813469954317279      -0.15517016701711850        1.3250416504002369     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.12390410292711747      -0.77272673836834738       0.92086875259231882     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1682923319713514      -0.70125319185954571        1.6327512065391452     
**************************************************
     Configuration num.    572
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1080378798081942E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8385769822939162        6.8207662439982411        6.5489120164880203     
   5.3127204056097961        7.3304092002324932        7.3736424225348527     
   6.4385386733033920        7.5559962677453179        6.0031568781491149     
   5.1032518113560279        6.6856355178269737        5.6219513736848086     
   4.6880063522168545        9.7877659649282638        5.0836532537312511     
   6.5483927950371497        5.2823068970243465        6.8276470121173629     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.668236859192575     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5580694557035608        1.3653553240244256       -3.3468968884453254     
  0.19898879957067578      -0.50501393195300825       -1.7375959898321584E-002
  0.87856498821654339        8.5530516108767440E-002  0.58171835013364082     
  0.64768403311259104       0.14509206815073139        2.1016482792207460     
   4.5692496433684504E-002 -0.10109383016504102        3.1108127100022816E-002
  0.78619622507397124      -0.99064229206546539       0.64833245871103429     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -8.6137303582895342E-002  0.61696839111729607       -2.4872214197295559     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.35476172571381337      -0.67115806156457092      -0.70662260102019459     
**************************************************
     Configuration num.    573
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1080378798081942E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8186040681146185        6.8060604720257531        6.4675297928950055     
   5.4699929364190387        7.3371940923847987        7.3615473171714010     
   6.4286512573574370        7.6459107838274303        6.1294748095585589     
   4.9895630285101724        6.8604452309698640        5.8607902823525180     
   4.6026252711967457        9.7804774664316998        5.1043850472710437     
   6.6367386278169924        5.2639443798565786        6.7946520800200689     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.678430590950256     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4120452538800845        1.9535751851206373        1.9847099973244116     
 -0.13971094124992375      -0.76049975110355705       0.80238870308170118     
  0.94501701349309086      -0.43029046528873716      -0.71634452347558919     
  -2.0048218418440396      -0.92495358169349173       -1.9412079660429367     
   4.0340271314688057E-002 -0.12693940021831723        7.4648098153398929E-002
 -0.25147253190771135       0.28768285127278237      -0.20401120682843721     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3422870346990632       -1.8429043993376997        1.2684129456666962     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0705025887658206       0.27436669866318508       0.57475085495280376     
**************************************************
     Configuration num.    574
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1080378798081942E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7081467263561043        7.0610984619707029        6.4663126757974965     
   5.5466243042675556        7.2535268676604074        7.5275626234562267     
   6.5502117516668852        7.5837805964946110        6.0037925690569702     
   4.8741232337386142        6.7719215079265433        5.9410574889543994     
   4.5040628298309144        9.7727438120338697        5.1316460364394798     
   6.7633859946423334        5.2117119733617718        6.7541966560765134     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.533057976005015     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.2308703597800976      -0.81998152133155144        1.8362139901429015     
  -6.5134703331226562E-002  0.34555443353945747      -0.14790852675117136     
 -0.64017240971224720       0.13093803838202023       -9.5576683342220581E-002
  -1.7716743809656839      -0.52588234290337166       -1.5432845268545705     
   9.6102982779286930E-002 -0.29479614281897992       0.17303550323371203     
 -0.84987782291939629        1.1653511782907109      -0.22288857268448173     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.57615497412806893       -2.7082305928421269      -0.17603175030819690     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.9298368368493843        1.2121219365501363       0.70742858462200986     
**************************************************
     Configuration num.    575
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.0490614481312186E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7243769573660259        7.0688370789076789        6.5311377620889868     
   5.5447603807810104        7.2338393109336820        7.5898747048690112     
   6.4278138483545009        7.4510591194731752        5.8639915890621754     
   4.9402813698015944        6.6997249129373246        5.8861596763696600     
   4.4897952200228746        9.7889696663028705        5.1292701217834145     
   6.7787105942194659        5.2182056064963662        6.7495472903111731     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.370902891311058     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.12170325020885737       -3.0192081356093476        2.2275260115996322E-002
   9.6133428341471816E-002  0.66414220898809517      -0.32020928804236071     
   1.4328470303553704        1.6369781748548398      -0.21791280635660210     
 -0.82672065894779767       -1.3633365415130775E-002  0.37887359606504023     
  0.10929677790225090      -0.31051443977743987       0.16462139468209255     
 -0.69165498262984859        1.0429655705614307       -2.5450996109369288E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.20085199805763015       -2.1286245094202747       -1.1722808062449941     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.3387830706727128       0.26518222762400612      -0.58439038761305462     
**************************************************
     Configuration num.    576
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.0490614481312186E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8744482604883821        6.8221021757235460        6.5437872628776832     
   5.5790368599318132        7.3836692126533281        7.5233270035860427     
   6.3607330609238009        7.4368207676942637        5.8544469132207633     
   4.7955283292702857        6.7331803524057650        6.0516451028386218     
   4.4798693329894403        9.7898426616143830        5.1301078027050631     
   6.7578273247200853        5.2818502814668582        6.7343383191926023     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.695817883832433     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.0984043619964297       0.24070983141446611        1.1915619304607787     
   1.1403173078604072       -1.0359013596021440       -1.3005208895162614     
   1.2063700604990053        1.2648506336682275      -0.89460387173140787     
   1.9783573280938167      -0.48866051075884087       0.76475263040422226     
   3.8944294943703515E-002 -0.13623483966950001        5.6403049497136433E-002
 -0.26582685717005528       0.15520925688296178       0.18289097860227577     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4939481433244075      -0.70316960629804304       -1.5089764335336586     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6388529056216199       -1.3059589231523854      -0.73521423001624742     
**************************************************
     Configuration num.    577
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.0490614481312186E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7624600942441093        7.2037655778149183        6.2374258556940640     
   5.9232006513150681        8.0242993629420649        6.7121207466739508     
   6.0956874665922873        7.1903480489861709        5.0951289327863920     
   4.8537146984368755        6.6036044860410676        6.1621612080908879     
   4.5311423415674623        9.3014298717791597        5.0484338404838667     
   6.7290029551821053        5.6111091101878392        7.0845294559846232     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.159078074700801     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.35249781706819472       -7.2407218779516445       -6.4553769972837500     
  0.90311981637438754        4.9271036383666589        3.4501791530914163     
  -1.7772762506550140E-002  0.29158872913429329        2.5558886806332648     
 -0.46074515744812322        1.0403291883142445       0.68570875930452191     
 -0.17306356584059474       0.16473674668524446      -0.10091952941727347     
  0.10132051163231813       0.81636222968932537      -0.13563371041952546     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.30857825458131904        1.9023250037219617       -1.7271754583134029     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.50880207594527382        2.2502475586947086       0.70028190076697050     
**************************************************
     Configuration num.    578
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.0490614481312186E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7464574955482286        6.9955142784525313        6.2789247610173380     
   5.0091790666401481        7.4016576674574743        6.8620672351104837     
   6.2534136371294808        7.5350268061225307        5.5770309780924405     
   5.0934035532266062        6.4697066807217256        5.5262883580599853     
   4.5668264633533804        9.2659253668254937        5.0394173123191592     
   6.7570266564387502        5.7636347228421698        7.0799407578868241     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.485365734947440     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2221735897964670       -3.7812161298402249       -1.8335809781962134     
  -1.0697545941643329        1.7095612779875884        2.0557547477464229     
   1.9630236969123067        2.3358641534815994      -0.92264506579741601     
  0.27740550644074563      -0.34367654892448429       0.53702739616538842     
 -0.30838047152240489       0.39623246460790462      -0.28682694627150407     
  0.35817924762594866      -0.31717518765886038       0.45088397460495810     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6407370352873656        2.7517903117365163        1.4731405539048792     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.58496882495503277       -1.0348832570068709       -1.4169336872266687     
**************************************************
     Configuration num.    579
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.0490614481312186E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8079774859098183        6.8635392409175857        6.2369692555098872     
   5.0112903576113332        7.4513701143424953        6.7325421024262493     
   6.3870595192054589        7.5744162193623996        5.6200391728000243     
   5.2541949349445112        6.4533227417203598        5.4380024863421905     
   4.5558650886265921        9.2861174274665874        5.0695108764528038     
   6.7136876666465044        5.7799496007207516        7.0837833575595681     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.549449801411352     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5836462106251525        3.2375502385667199       -1.9911711471008460     
  0.67161260811059731       -7.4625412068492228E-002  0.52970552726691211     
  0.26593464837357395       0.21055040306315168       0.76605970197099382     
 -0.89992426742206932       -1.4135715669387450       -1.0557258543849253     
 -0.26538205340314069       0.38072535866226043      -0.25034047949883331     
   1.8122498618732190       -2.3405939460198306        2.0002971968592398     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.4336947547904235        3.4244370601094318        1.9176733352228541     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5160863677053997       -1.3618632261172379        2.5192120342195530     
**************************************************
     Configuration num.    580
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9875570175514415E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7912202017733820        6.8821299358415651        6.1149521976069616     
   5.0875424831872191        7.4612359789720371        6.6250382879435161     
   6.4484969309632758        7.7153389685912481        5.7068482340578868     
   5.3325720390525531        6.1815465091351340        5.1629378492371734     
   4.5133311388934683        9.3204398026145476        5.1151394062945990     
   6.7375209471554660        5.7529794281557987        7.1128617479725191     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.507742186284762     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.96639893110173558       -1.4145743376386302       -4.2980818285843263     
  -1.6989557263454722       0.32805712299983930        1.1579165045723718     
 -0.37441191472334012       -1.2201213093250263        9.0093761552685059E-002
   1.0184515081479082        2.2522909909553022        2.6272893266134822     
 -0.21025244223188264       0.37219269368343777      -0.17336967623084104     
  0.29923720884369787      -0.31616312407280084       0.59735798378833094     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.46871121268521471       -1.4261012026478896       -1.5776628823540690     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.6035423832964719       -1.9964389008724197       -1.0832886052751949     
**************************************************
     Configuration num.    581
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9875570175514415E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8150768156770409        7.1036232742626622        5.8706061278634678     
   5.5099646269227920        7.6607974635574214        6.6780708117505458     
   6.6657283626822723        7.2940068886708005        5.2052869879102817     
   5.1267028619479573        6.3920759692809730        5.4507654791306814     
   4.3848078620461166        9.4285835168943510        5.2929167135511666     
   6.8090200121449582        5.5710650330585976        7.0359967757363320     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.558234106694730     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6157663518149430       -2.5938478026939840       -1.0581604615959375     
 -0.42309848350795931        1.5188603215441052        1.4440093904202389     
 -0.36128982001592064       0.62615906407898092       0.42487786846576786     
 -0.64744288643423320       0.11797712230593004      -0.23942167995672353     
   6.0818169405940273E-002 -0.16513149906040253      -0.14010605219626460     
 -0.24412983044877101       0.49745482248439671      -0.43063146835137117     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.54777286783811996      -0.57544451857559897       -2.3104074629370388E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.68663143383472525        1.3304897092204129      -0.15134883845576280     
**************************************************
     Configuration num.    582
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9875570175514415E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0666362119872250        6.8360840039003143        5.7894379886808141     
   5.2825900062259885        7.4708208595890362        6.2290462635245420     
   6.6019022514654244        7.7510987723200389        5.4226549531311568     
   5.7269684166257582        6.3221900400826447        4.8877713425481346     
   4.3893000289382673        9.2427384329293627        5.3874178953453011     
   6.6844325303249370        5.8252963403161786        7.0586510786141083     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.606267586433205     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.72519799760888826        2.1285330180806801      -0.71211779209539583     
 -0.68925788461883897      -0.65626119687855966      -0.12917163924318048     
  0.99766857436165246      -0.93664551652299410       0.42247266348976692     
 -0.14656793178842659      -0.47649674286915827       0.21298116328898090     
 -0.38407395774300546       0.63341585779358556      -0.19280658264047679     
  0.94694477907775909      -0.69089940967292762       0.39647200492884155     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6841695188950647       0.72061342761333236      -0.34600048636008596     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2026530653945198      -0.59832876041420369       0.76003510277160191     
**************************************************
     Configuration num.    583
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9875570175514415E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1178992393010931        6.9682041309894158        5.7876338561331924     
   5.1509359744218681        7.2168519924527255        6.0154446900929575     
   6.7428259736450844        7.7996715593692958        5.6659410507342658     
   5.8138097463463598        6.2547488834329723        5.0634055521929762     
   4.2378356928192309        9.2190726701767769        5.3227367077478318     
   6.8076858743854363        5.8349845581636721        7.1007783074708248     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.485402829594477     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.65422751181474037       -2.6734033637801078        1.0207378327755232     
  -2.3247786367157199        1.5212192460123886        1.8241373190495267     
  0.96608432970400349       0.92896820361066657      -0.62415943353197822     
   1.0131893542423922      -0.52519294319873722       -1.9020626629431003     
 -0.28600501324468142       0.34439386711933506      -0.20383719146842311     
  -2.1787066550346547E-002  0.40454379424757436      -0.11461618657059079     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.3156047398453850        1.2660726422840725        1.1436351676863477     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.99176279542769741       0.91441643272888651       -1.1776826735561945     
**************************************************
     Configuration num.    584
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9875570175514415E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8309524288644052        6.7757235558742952        5.9942228416501617     
   5.0734527500805502        7.5324453942794136        6.2037779902313845     
   6.3404380650008791        7.4862981481876201        5.3715986380004006     
   5.4166636901153247        5.8958201676938540        5.5126243422116605     
   4.1780741460414292        9.0991184278200041        5.2117693660549955     
   7.0636109869269585        6.0603944485074797        7.1030332971839281     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.584996624229916     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.52671961170324433      -0.52410100112724844      -0.44715704984415566     
 -0.84930466841135066       -7.3193298547500715E-002   1.7757955134580059     
  0.98432230874526616      -0.25668518335788582       -1.1435876207593876     
 -0.18086693853904362       0.10346203111742001      -0.56280171416528946     
 -0.37798156807540839       0.48125058983522512      -0.24679262663662016     
 -0.10401347052692540       0.26787933338753522       0.62501798022096589     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1248274441700361       0.10340756040814396        1.5573192642580251     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.51250573261848831        2.3557766026570309E-002 -0.48215551933684658     
**************************************************
     Configuration num.    585
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9497526357759223E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6501016294355626        6.6998585064050387        6.0845832264371404     
   5.0991655806020733        7.0494920464940769        6.9287615787560286     
   6.1893611634326673        7.2606894630130165        5.2314840817732167     
   5.2459194075642488        5.7903028155607368        5.5274718263621745     
   4.2499245871081026        9.1114805830211729        5.0688804599942356     
   7.0864389190961470        6.1655832100001700        7.1476460447399539     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.458330159693336     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0344376462016367       -1.4776749845378974       -2.2853469476503765     
  -1.0906592626769751        1.1202289323623487      -0.57465829210057162     
  -1.4290221303890394       0.17273569613854467        1.8654570599591500     
   7.8363061285382882E-002  0.73431680863329640        1.1149117949362941     
 -0.20306499024496460       0.16154227249755332      -0.15025495720540655     
  0.61070926899442513      -0.71058250457218031        2.7739066006629981E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.45325322106422256        9.2296251665167861E-002  -2.8147881897293821     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8793782516052915      -0.47669907876038031        1.0104201777612976     
**************************************************
     Configuration num.    586
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9497526357759223E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.5573169120381829        6.5897474144620496        6.1391941947047295     
   4.8373043235212130        7.2550673603005249        6.6939798437769262     
   5.8526317992793242        7.4416459700408044        5.4842815213007912     
   4.8688610677630102        5.7791545637742310        5.7011941718110108     
   4.3842969209604732        9.1071197412891891        4.9353590570274530     
   7.0935788150917931        6.1648953971510547        7.2410330573913519     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.472663148416586     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.99521534031109415        1.2134297820213735       0.51881302499800541     
  0.61389592216912825      -0.80700311515932932       0.59394173132044492     
  0.37595436734159243       -1.0132975431570461      -0.49815560412836485     
   1.7423808227190749       0.46316470392004039       0.47293081045299895     
 -0.20151229712882510       0.26279631443947760      -0.16641928524828736     
  -1.5365790616584041      -0.11894546951102779      -0.91998692981435859     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.8353118397536967       -1.4117795120926686      -0.82136000214891514     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.46015458868972581      -0.37959147370541357       -1.9741899274671002     
**************************************************
     Configuration num.    587
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9497526357759223E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4610115164310375        6.9740658217308082        6.5299848247805246     
   4.6122332622119790        6.5827411712587356        7.3229367610293998     
   5.7595725508201117        8.0302069196258277        6.3395595289544904     
   5.2583610206113383        6.5598036481285993        5.5969861214938588     
   4.7643689210639595        9.2721895082023984        4.8283869788947031     
   6.7380814781851521        5.7909974980827235        7.0599083945939620     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.431333334560577     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3945140755516521       -1.5370825276552256        2.9830537751319275     
   1.5328141342704471        1.9700921518145624       -2.0007794297471868     
 -0.19175978154246948      -0.31429273092671445       0.77830081357237946     
 -0.93381570971177719      -0.44490574500650254       -1.8380631118372968     
 -0.15257911601161744       0.42084431824434176      -0.29470332958829043     
   1.1402941900767489       -9.5596646403789606E-002  0.37175306976584027     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.11409489602202592      -0.24050931521703525       0.14200400284048989     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9183492277765519        1.1712391797116710        2.7358799468495274     
**************************************************
     Configuration num.    588
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9497526357759223E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.4196454467629902        6.9081910507107143        6.5406990681876591     
   4.7625095278218250        6.6818386232919735        7.2348525191226578     
   5.7356271247795094        8.0406978143228507        6.3450775886566042     
   5.2042997160894409        6.7966777466678199        5.3944010281178008     
   4.7446689175680721        9.2738841606403373        4.8464807859685664     
   6.7636419087984487        5.7725305582119706        7.0703570613519231     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.285703859231489     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.3916103412345020        2.5011481135331484       -5.7428999238398291     
  -3.9807057168535653      -0.56064470879175665        2.9360042789012768     
 -0.36231559461637519       -1.7759910217741415        1.2775462587441786     
 -0.18226621891357814      -0.72084075030732242        2.0578665265263107     
 -0.15132280583918523       0.42479462000618656      -0.29813203974828145     
  0.28525342762659994       0.13136750545833203      -0.23119776746884826     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2967619967417607       -1.2453672706871395      -0.66009549839696635     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.12635255315526320       0.12963589594567401       -1.9249845130212517     
**************************************************
     Configuration num.    589
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9497526357759223E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6810250535637348        6.9204089399380333        6.1640031793166115     
   4.8032777219250029        7.0874196011376469        6.6401981325443638     
   6.2612064175793387        7.8936913490561471        6.2529828268495091     
   5.6561869693941640        6.9733132182716657        5.0414236645851851     
   4.5586787393740522        9.2412942609434765        5.0883078352059732     
   6.7461974152266322        5.7518784472400437        7.0734571090852185     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.506702960424263     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.3748866818258518        2.2357868355730517       -1.9073002344276773     
  -2.9341662479695856       -1.4169095173251864E-003   1.3868324247409933     
 -0.65271715490586291      -0.85715664533126612       0.40213096712989388     
 -0.26320560345585403       -1.3114333838756396       0.74384084667551942     
 -0.34479582711828605       0.53466561975052218      -0.32920514426992764     
 -0.17959781473141878      -0.60003454568604242      -0.29843881648201764     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7051030642180640       0.59756760035986267      -0.56018617287625905     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5594196767703552       0.25471163911917988      -0.88742385324775430     
**************************************************
     Configuration num.    590
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9434519828967743E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7602676788813545        6.8997798362531473        6.2246623947494992     
   4.6394603634057532        7.1291577533424153        6.5976758538467699     
   6.2540628768137241        7.8140520908823969        6.4303698154907920     
   5.7365774674709265        6.9032599544113173        5.1540964210176448     
   4.5170933987660993        9.2598552575346744        5.1158187297042597     
   6.7711550637392044        5.7524863120618832        6.9974671662110799     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.528297258897283     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.9363641454625005        2.0433129551223210       0.60784900439938716     
   2.3060084788816639       -1.1031717305231394      -0.51847850992126299     
  0.29848309168988907        1.3324267322374008       0.24192003136983969     
  -5.3750724935378788E-002 -0.74055999775957315      -0.87432623770997775     
 -0.28636245216396561       0.43478346294184206      -0.24172331259927962     
  0.67034672949072660       -1.9687483857902663       0.78600676399933567     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7748183849303012        3.5514982437261726        1.0306318285418545     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.57987262669732875       -1.2495356767121661        1.6664213677818662     
**************************************************
     Configuration num.    591
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9434519828967743E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9557267074023388        6.9305580741627013        6.1815140885166846     
   5.0061493496720795        7.0337376522882220        5.5773854790302178     
   5.8361058718728982        7.8425812414254077        6.7603030072626211     
   6.8106508438289977        7.3429911307251245        5.5257465888378956     
   4.5152346883412324        9.4212104956538720        5.2630955685022061     
   6.5913964266250709        5.5386379614066108        6.9007666500673599     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.520780076501527     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.78818117720315239        3.5358014307047361       -2.8607761030294645     
  0.62096845656203503       -1.1303538409676619       0.34273923810051399     
 -0.11771876279099631      -0.10713667011586893        1.3018505315422706     
  -1.2407743253146828      -0.67482223722741419       0.21397951964827958     
 -0.16945703406012722       0.28283725022810147      -0.13210383421475502     
  0.11803910987860947       -1.9060127476002167        1.1336225589450863     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7092767824386685        2.3194513923602460       0.72718798358375369     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0224409175396845      -0.53887666096750741       0.55991291127034226     
**************************************************
     Configuration num.    592
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9434519828967743E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9794999559676549        7.0054474563233917        6.1518809060268662     
   5.0973415901348096        7.0416055179073327        5.5504020213917471     
   5.7720704412175561        7.8111191609345401        6.7648677535750075     
   6.6695221070368467        7.4390438776146466        5.5252864110230258     
   4.5326833677178566        9.4149192151686911        5.2484633080885805     
   6.5787526218548562        5.5113825604486655        6.9280195550371300     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.598395026214352     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.46881180559180502      -0.93422709687887484       -5.8966857484695878E-002
  -1.1636519221467327       -1.2465445665089199      -0.48521635520143858     
 -0.37900847074390520        1.3548693773981260        2.4875594561360530     
   2.4006404342923178       0.47534018715587989       -1.6968427529512369     
 -0.15514921736003467       0.32137853355933632      -0.16172599357043071     
 -0.23428300484728803        2.8860802761777923E-002  -8.3711998499461399E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.0875718777286743        1.4648846568326674        2.1797826566508292     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.64775840674784957       0.93303311867921634      -0.99582615464518043     
**************************************************
     Configuration num.    593
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9434519828967743E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0861060218270699        6.9784147084124211        6.2768771138560275     
   4.9677843465235023        7.2947026748902903        6.0643043399047674     
   6.5999167091583768        7.9571995463086775        6.6426420937062467     
   6.2751950169208390        6.7204402753532415        5.1953570304412926     
   4.8278201320063134        9.7015719726566321        4.9397839972678375     
   6.2132045187828995        5.2699275175342724        7.1873851670316427     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.453942708865956     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1369781028582304       0.75164792109104028       -1.7117969580752233     
   1.5754429902682496      -0.59402974428097255        1.2929115113761080     
 -0.38430239856298753       -2.0599895422260932      -0.15784853943965671     
  0.84669817898642674       0.22372043883732218        1.0146476054685789     
   6.1154757632823735E-002 -0.12632280020253112        3.5598390151611509E-002
   3.9713088478825653E-002   1.8023190396857587      -0.47271968679499027     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2356082513810320       -5.5502437135062408       -2.2326183742146815     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   4.2135470674713751E-002  0.89512451938731297       -1.3248860628093282     
**************************************************
     Configuration num.    594
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9434519828967743E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8160369845609639        6.9255809411766585        5.7780666375934766     
   4.7801133802523044        6.9853520419258768        6.0449847744213319     
   6.2971569581562363        7.6688241002768285        6.4720096717012012     
   6.3952268684876810        6.7154902527960196        4.7999617805431667     
   4.9327362653433147        9.7126486117686994        5.3139834985381986     
   6.2415745578270521        5.3447474396295069        7.0482180066051034     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.432255694374135     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.5537059867191370       -4.2914335639605089E-002   1.8284564621790680     
 -0.78308044429948320      -0.14471737857742500       -1.1342956629527750     
 -0.13088000095547805      -0.40708781295970942       -1.2522410494743836     
  -1.5804580344161292       0.32984259395230303        1.4928691632025268     
   1.5713977255469521E-002 -0.10381038972118832       -8.1994670365975894E-002
  -7.2266035355827818E-002  0.36916964892433646      -0.85287209396198405     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.72880416984465413       -1.3672937819082318       -3.8995665435947866     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.36536612092874948      -0.10043702492398525        1.0417100147239939     
**************************************************
     Configuration num.    595
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9176418956098254E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7762318993399342        6.7870216486798691        5.9192336172982039     
   4.7870163607766569        6.9108225442851676        5.4827912513246995     
   6.2000692372152084        7.7305863363788090        6.2948780644341120     
   6.2659315355696306        6.7134875634667903        4.7885092975992016     
   4.9255521860759934        9.7356687563807789        5.4325112966878413     
   6.2870069989235171        5.3703357474939644        6.9665715403595918     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.437619731438421     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.3786865785779856       0.21277746627496200       -3.5196623768755986     
 -0.96809763259823056      -0.34263100147254022        1.3568276028884834     
 -0.50937119022957200      -0.23780376683118604       0.27820866440586350     
 -0.22323904132949124      -0.27302623435451279        2.6122091461649766     
  -3.8212297620940139E-002  0.13912652453992125      -0.10962453194487716     
 -0.63919023229894267       0.49884681409958570      -0.61751081402855124     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.20930449719047331      -0.78974279952951687       -4.2270214000279838     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.23106097673579765       0.77023428179003894      -0.15811122270592270     
**************************************************
     Configuration num.    596
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9176418956098254E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8069079593877992        6.7545434549014089        5.9002608788619000     
   4.8004155503375294        6.8742754862133983        5.7034214475872558     
   6.0823724411864246        7.7909263722679025        6.1419652224984151     
   6.4056454549030057        6.8003160645725860        5.1027558018930126     
   4.9166401419532422        9.7274437105461757        5.4681996108577993     
   6.2815305453536388        5.3770830529336928        6.8942156981067004     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.376231656933211     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.50914898112137685        1.1118883020640467        2.3566881499609060     
  -2.3579300961240723      -0.46328014215158164      -0.46668042335510124     
  -7.2761020735214565E-002  0.19942887778045409        1.8598619060691421     
   1.9800617632172570      -0.99756578153155728       -4.0665643539261467     
  -2.3942280159663459E-002  0.18697839867753879      -0.10733708008322020     
  -3.5124756377523297E-002  -3.9259897432498955E-002  0.42291451045471901     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.7031024578548091       0.34980667948985111        3.3759390984592952     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.23866348888555383       0.74630742471110889       -1.0671370717195356     
**************************************************
     Configuration num.    597
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9176418956098254E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8737194315330132        6.8421210718136845        5.9742679515998054     
   4.7880119787056303        6.8922932508055732        5.5795470227799502     
   5.9882695546187925        7.8881781205706858        6.2594382531241077     
   6.6301569198823556        6.6907854839443930        5.0532280093151858     
   4.8979227631254751        9.6985555508239116        5.5086140129964063     
   6.2642991294657131        5.3756535953654474        6.8350389287885251     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.474148257167826     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.10357626775099722      -0.13495626624995866       -4.5025478831909069     
   1.4463868992988655      -0.61291432443881888       0.49822334294133880     
  0.48472246051132917       0.21673104021883752        1.3334730805491981     
  -1.8753789986745562       0.78919202699358815        1.3565041650489691     
  -8.5176269674861499E-002  0.31513744194727500       -8.5954897496434229E-002
  -7.4066184996927797E-002 -0.57019678665390272        1.4019772240970929     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1581603551142337        1.3901861771582513      -0.32499061590723821     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.69406229296325328      -0.98554680925469729        1.1636703355242686     
**************************************************
     Configuration num.    598
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9176418956098254E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9236698669846275        6.9841019988944941        5.6873538694574703     
   4.9338658153339576        6.8204074144648974        5.5488220369598338     
   6.1497352384365929        7.9838313425392666        6.1762395158809733     
   6.6985790893992085        6.6354197951388310        4.8649885238086306     
   4.6724267067663554        9.4748704762421951        5.5152511253081951     
   6.4304794314440681        5.5548025318923591        6.9596961462906011     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.447355538082999     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   5.7320119111941992      -0.52878526624709909       0.63790809863486242     
  -2.9837639919631367      -0.48683559765980267      -0.70040821566138378     
 -0.21790172478264369       -1.3233433034412991      -0.54973711585986340     
  -1.8869984656772973        1.1277936314741606        1.1008048201971656     
 -0.36822841390223082       0.69232098632612926      -0.22526988093377467     
 -0.27620070743538605       0.51730048723996747      -0.26255648612777549     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.1055899735787460      -0.88291767808744903       -1.7803518155802036     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.41879825501339013      -0.87649350371333301        1.4290208447661266     
**************************************************
     Configuration num.    599
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9176418956098254E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8743009346212052        6.6591021025822119        5.4808917893259510     
   4.8233889884473600        6.9806846056442398        5.5623183840501049     
   6.3940123346314888        7.6629751825821852        5.4638716037418735     
   6.2522182681502692        6.4586325542376990        4.4850363155816000     
   4.5175750491036917        9.5104009725520253        5.8529681066931376     
   6.6373213989360629        5.6674411212261315        6.8136445003515576     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.535262211579720     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6083467672783107        2.2748037584615943       -4.8108566821578935E-002
   6.9321943895700275E-002 -0.67063667132187899       0.33414572175614465     
 -0.51955793433519959      -0.41370854683587222        1.1295512275099309     
 -0.37451503268200131       -1.6413439358244177      -0.52252257792258006     
 -0.15478999055920217       0.19840000339191879       -6.4343138433616678E-002
 -0.62852680556229334       0.25402383904794701      -0.82693060459860956     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1983411267410586      -0.32963669366468951       -1.0947345854526194     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.18162870205815673        1.8474585998660566      -0.48353883509577267     
**************************************************
     Configuration num.    600
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9002968167782412E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3027010155465746        6.9277586922946712        5.4621441133306270     
   5.5628571551109305        7.6328292581616575        5.6999483075195432     
   7.3900606950803285        7.2282036225643544        5.1256085181422266     
   5.6873251695448062        6.3369293569360163        4.7681148049437336     
   4.1126389538538524        9.4526986875646024        6.0089702017319881     
   6.7650452107113663        5.6233321665489857        6.6546919364511723     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.558471899297729     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8154286032091509       -2.2577826448015346       -1.4299005445790669     
 -0.67510897581222318        2.0710316367482595        1.7270414943932413     
  -2.5185031382443679        1.3219054798852747E-002   5.0878775290496503E-002
  0.79845343421550607       -9.3317086933545179E-002 -0.83048917954402823     
  -4.6432884262531726E-002  -1.3865204974040006E-002  -5.9646328301612185E-002
 -0.37267372474724592       0.27916259402605914       0.54203983936746525     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.0647364895696354       0.65454753675105293       0.92497753359073631     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1753462356480375       0.80643956827997498      -0.31319055897133335     
**************************************************
     Configuration num.    601
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9002968167782412E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3096890552388958        6.9501728446811297        5.4361899343193318     
   5.4061984315594271        7.7399487388337844        5.6816473865535233     
   7.1885762717687651        7.2418699958370185        4.9841864772684641     
   5.7868830938604043        6.3814252400997100        4.6758285796504486     
   4.1370357243819829        9.4117734551013967        6.0234265475377944     
   6.7674559753832311        5.6380158021727773        6.6774615628518621     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.588638791905169     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.8011873805044289      -0.72043334248629964       0.96829841182874776     
   2.1304487438356876      -0.77298508865186621       0.53825056641418489     
   2.1823477940132392        1.2843235555086596      -0.59605725302541968     
 -0.15088148927118014      -0.64210958260689455      -0.48761094825960355     
  -7.2996663190192990E-002  -2.8700344158493072E-002  -7.8355994541178114E-002
 -0.28691348642257419       0.87999078302056510      -0.34185268485906772     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.38171455357602069       -1.3755447936286820      -0.27310198253710494     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.4373109113919273       0.73915927445135887      -0.69344159339485612     
**************************************************
     Configuration num.    602
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9002968167782412E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3847574862176621        6.9886430196633000        5.5514473971218861     
   5.4535807619748367        7.6667354347547905        5.8912942145106841     
   7.3040945537912503        7.5219393963971406        5.6065154681355898     
   6.0152554913290448        6.6959434871242882        4.5923268002536792     
   3.9800239526560226        9.3151067619449250        6.0955703595378541     
   6.8548900255027725        5.6628250320473326        6.4818231652474392     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.586311693973812     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.3897478778996986        2.6214755936312035       0.16992250451469773     
   1.5793420895733659      -0.98451039760263737       0.27623292415215317     
  0.46942004429916662        1.4121354947071201      -0.96541668130447544     
  0.38899028128787955      -0.40852608854333250       -1.1885974575035829     
  -4.9215307173286871E-002   3.1940528388680234E-003  -2.3513775249194725E-002
  -1.0114364822456715E-003  -2.6440751545405590        1.7308608508380996     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4552896585894537        3.0740642310089572        2.0263587436360693     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0418199842860945       -2.1576110192994071       0.15346333900157014     
**************************************************
     Configuration num.    603
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9002968167782412E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1737369954964638        7.1261127582844903        5.3766018531157531     
   5.2627047609682442        7.4057969585961949        6.1414941590929457     
   6.8485622894071128        7.9754978318735263        5.1581583539793234     
   5.9792628856344665        6.5862296699587661        4.3568862446830252     
   3.8369567890578482        9.0934802587698353        6.2009400370557941     
   7.1464402680616361        5.8285247138197658        6.4846096587061970     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.550024087297970     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.95461851562443012       -1.1815023768269364       0.88663195848258158     
   1.6588011115031667      -0.21479620767853277       -2.3560101383990806     
 -0.13348710883068410      -0.24884985547477873       0.49455682207915796     
 -0.11230051488843124       0.70564986254566109        1.9129480161754120     
 -0.15407314191535371        9.3537048088351019E-002   7.2850557392325876E-002
 -0.30321625341128478       0.84674983486246902       -1.0114758537283792     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7771995923527311       -1.8290157874163764       -5.0813652622672008     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.50255758162366526       0.18845461603024286       0.86512859662103136     
**************************************************
     Configuration num.    604
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9002968167782412E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3815070101537845        6.9823938949230131        5.4880643015514270     
   5.3913061273621459        7.5676602406820344        5.9199021928853588     
   7.0988701526920064        7.7658243535974201        5.2091764705499157     
   5.8440284525834443        6.4288368430718519        4.6342754357985259     
   3.7714402807107650        9.1010297021784083        6.1357897663776093     
   7.1140743734368925        5.8928174095854073        6.4999464627080776     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.591222412861725     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.3448540382369272        2.3873314564269013       -1.9107234475255317     
   1.9953775013982245      -0.85812959194472005      -0.25675034844825184     
 -0.18926033432697187      -0.14759449204654593      -0.49197653456637991     
   1.2365612320521286       0.77190695958022904       0.53230481669140484     
  -2.6053346783847499E-002  -2.2996028553109307E-002  -4.4847041413116767E-003
   1.3289665012898131       -2.1314047232443252        2.1316041105036376     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.0082527499555836       0.73245658539147029        1.0821654782402612     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0534553197950915       -2.9256297725640619        1.1068309883940670     
**************************************************
     Configuration num.    605
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8797004617014644E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2677193445234218        7.1624289073804368        5.3840389220234668     
   5.6026968134328543        7.8619970949658073        6.0803422472671604     
   7.2018329877982090        7.6037574668702117        5.0146171347357598     
   5.8807290954863207        6.3127826179571551        4.7785713497118483     
   3.7354589486193821        9.0424445502790647        6.0861174348411273     
   7.1489976003063527        5.8885795703586510        6.5724304689571769     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.556051004756227     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.61929130524914755      -0.99555102043249644        2.2369426486185819     
  0.56204901523401674       -1.2705194044337991       -1.7154845448101508     
 -0.48546637608649168       0.32603247256043610      -0.49333734121520506     
 -0.50301208796649277        1.3918953036878061      -0.19142132384513239     
  -4.6154833122023863E-002  0.11712184780348149        6.3377614023880674E-002
 -0.14580034764577335       0.42987948406191956        9.9466228126065231E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.98430412123918476       -2.4848782546735277       -1.2167196800160704     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.68639347541669016       -1.1441614952906516       0.60710630623076556     
**************************************************
     Configuration num.    606
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8797004617014644E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1427527967022115        7.1917975070253961        5.3379536509176511     
   5.6062068815628994        7.9116600652972879        5.9093401939149723     
   7.0161106284711510        7.5882270127811644        4.8984906882958317     
   5.6426005790033171        6.4264419912578719        4.7808526549669033     
   3.8253271022608049        8.9931618922169623        6.0913774749110461     
   7.1488915665588930        5.9112378578877047        6.6149215069173302     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.540902391059262     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8594001149257446       -2.2508867159874377        1.4416498209443214     
  -1.0240118449135152       0.39087270820757603       0.83937701293703193     
  0.98008539563190344       0.55127968077448053       -1.0436301695133818     
 -0.62704027849782740       -7.8545932573267460E-002 -0.45786166961634756     
 -0.39052451791098952       0.38062203758679414        1.5502194353022086E-002
 -0.79880974321493781        1.0058802872368302      -0.79556222272969812     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2664839184298111      -0.47250296317561580      -0.41042119768109719     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.45296701323266214        1.4796515212482189       -1.8325933553438358     
**************************************************
     Configuration num.    607
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8797004617014644E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1582355275084772        7.0707595555929377        5.4140490798829415     
   5.4044029209984599        7.9319497282017775        5.7876643059836486     
   6.9547707275788078        7.6326471854244353        4.8753129387953935     
   5.5831973935993897        6.3372764809245590        4.7682245658199793     
   3.9010005282155960        8.9680497285478005        6.0878458838098943     
   7.1043643089884068        5.9801152750981057        6.6104409328706177     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.679413549777568     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.15950042950208518       0.21471679981113359      -0.42278940862849840     
  0.91663677643076358       -1.6772208701911833       0.35194726283546401     
 -0.23772564965592075      -0.61578344697415899      -0.13830527094966527     
  0.70905898888551055       0.79349131181620014       0.44448738778974550     
 -0.64472855125691308       0.61938314027879227        8.1379539531172607E-002
 -0.58371592236605441       0.66133046666965489      -0.31479182841119158     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.74249690061678064       -2.1736647150345134      -0.91033492526538695     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.37616999019377667       0.38190316903699845       -1.0391545834997700     
**************************************************
     Configuration num.    608
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8797004617014644E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2019848309672119        7.0017422628269816        5.4538561323991228     
   5.3610206419027939        7.8070649553719695        5.8630266940085027     
   6.8244856907508336        7.6180466323404286        4.7845103317256958     
   5.6327220653319623        6.3685651096302047        4.7828542824757712     
   3.9147064653939414        8.9809120986792372        6.0669564865459966     
   7.0898431429978688        6.0028423753145805        6.6179356809309029     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.715907356927570     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.6013004120086030        1.8744634001543747      -0.32911658553460915     
   1.5236030014997308       -1.5648123245606644       -4.0260860884155578E-002
  0.64155174757447486      -0.23479423732122684       0.36936684076624937     
 -0.20462127861480536      -0.65930728095178959      -0.12156421291329311     
 -0.54106112631129744       0.49457975959310030        7.0738489952212380E-002
  0.18082430469259120        8.8866712998685343E-002   5.3718129869962696E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.18935527716109168      -0.50744842041847782      -0.60743760276734726     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.48646760469650074       0.33606609543925203       0.19244969406353776     
**************************************************
     Configuration num.    609
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8797004617014644E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1758476855943094        6.7857645456785400        5.3157045859414920     
   5.4042513608273381        7.3938391571036188        5.8135478748859262     
   6.7437551367278141        7.6206096183697181        4.7980874793841304     
   5.6025330155854700        6.2392517805776260        4.5722029406427680     
   3.7489102679774469        9.0021788173487440        6.0668903679985604     
   7.2721312816451107        6.1156690458035765        6.6926231369586970     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.620170275830787     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.65445325115422970        2.6560077964126987       0.58691049027127140     
 -0.21754823802448658       -5.1454972769728699E-002  0.52328081590738873     
  -1.9520756701461153E-002  -1.1432613241287737       0.38445239070293341     
  0.56169614665305956       -1.4284246172473076        7.5889368900202120E-002
  -4.8374962134584136E-002   3.5750048443534618E-002  -3.4701298748480332E-002
 -0.93350598938312379       -6.9054744689168626E-002  -1.5361431996059312     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3901082302953540      -0.52027620426450694       -2.5375572242439830     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   8.9136651638644440E-002   1.4392539871923353       -1.7020306041008293     
**************************************************
     Configuration num.    610
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8413316093955409E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7090101472344710        6.8177574536496000        6.4241939428511099     
   6.2588750661243377        7.3691021957403349        7.1512714446707673     
   5.5284751559333225        7.0638582006700172        5.4063098572717827     
   4.8714080573066409        6.2582380941416158        6.8867591981173231     
   3.9071543924632159        9.5743064011655203        5.6823673289604848     
   7.3952261301191706        5.5961672325663239        6.2209118802691918     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.463125990349909     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.81389534890997228       -2.1961780403509947       0.72532013504552406     
 -0.13596796820477053        1.3632425029408277        1.7253107817421863E-002
   4.0466244445116636E-002  0.90136442253791482      -0.61118846474509003     
  0.50669637442793314       -9.5040991226477634E-002 -0.26121815575743157     
  0.10854639561082895      -0.25777213283348321        7.5761023338067390E-002
  -1.3329907952992737       0.28468901607273267        5.5765594661489976E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.1335479702192761      -0.40116766581896846      -0.16256481000578185     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5287926606051132       0.14831481698956300       0.25773146429578564     
**************************************************
     Configuration num.    611
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8413316093955409E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7813598809871376        7.0066608790551097        6.1221760187149128     
   5.7400723347188771        7.3005972398710961        7.1922476723848643     
   6.4453259435068970        7.5617113753822025        5.5115096428863923     
   5.0446988388991771        6.4145870497701205        5.7521858032162649     
   4.1587672885910214        9.5745785151953235        5.8171787460944806     
   7.0546405658632549        5.4658156403419680        6.2999364378930265     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.601618353583035     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0923487349976089      -0.11260183228372618        2.7945080523980614     
 -0.36116601840166607       0.15398216343221871      -0.92270162107315101     
 -0.17059390110010667        1.0126054095027675      -0.73170408928388830     
  -2.6329483969609480      -0.86024963848916991       -1.3026729563761617     
  0.10403081453736912      -0.23482429474482977        2.1070254377650432E-002
  -3.4453752119536246E-002   4.0687799587197718E-002  0.14313681740402842     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0353313224021661        8.5458549810153356E-002 -0.60465246386768512     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.6197416555110200       -5.0152920196350655E-002  0.60002469279774695     
**************************************************
     Configuration num.    612
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8413316093955409E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2562642461141458        6.9931725328644339        6.2866424940133125     
   6.8848234252680705        7.5494840903219469        6.9893994889164128     
   6.0023596028372515        7.7263548425381119        5.3125760767737553     
   5.2219777005657564        6.6173308972503389        6.7100618729943857     
   3.7371593551385263        9.4042095933762759        6.1166267347247771     
   7.2161765512231808        5.5712228344016825        5.8820278361807103     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.634699555737598     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5558822024151144        1.4676139628789509       -1.5205861787291024     
 -0.49937215300167981       0.19948894379080889       0.18050079763432428     
  0.59051879257172668       -1.9467117781337924        2.4557234412222857     
   1.9577350394054152        1.0476961044870299      -0.62320336553172595     
   7.3250388207580702E-002  -5.5088098953569191E-002  -1.3536487731543968E-002
  0.43548909087108800      -0.71616138384938766      -0.48025793810832879     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4932554742769990       -1.1298686095010302       -2.6744249636524766     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.90516169248050560        2.5626270344932953      -0.26505853800307178     
**************************************************
     Configuration num.    613
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8413316093955409E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1835984700113871        6.9498917886539626        6.2533352425796274     
   6.8447126857156508        7.5265385227225856        6.8976520037832936     
   5.8996922449142613        7.5415034413012361        5.5181289798368978     
   5.2800777427033703        6.7133230454304140        6.6655980714383620     
   3.7094058026839587        9.4080386564485661        6.1463195384489637     
   7.2781021302515629        5.5946711329443932        5.8557955839323954     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.540688607960192     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.7246337204934612       -1.0371401828565086        2.6267127133613224     
 -0.47924620718035382       0.36469202113246690       0.48028222234540974     
 -0.76755484096979609        2.6574267108444025       -4.4008820474007413     
  -2.2726453815780903       -1.3877012999478859        1.7750506339040160     
   9.7241154965888643E-002 -0.10776326963642782        4.4503434946065370E-003
 -0.30248679693956826      -0.49197703506589313      -0.48541598034129357     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.80452940752180424        1.8951651297888168        3.5447451594540587     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.46060404364664476       -1.9075582894088290      -0.52601284790255742     
**************************************************
     Configuration num.    614
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8413316093955409E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1590830037203581        6.9404243202521583        6.2881245051329167     
   6.7069631606925713        7.6232797687754337        6.9505264402329514     
   5.7358397155902150        7.5427495245343108        5.2686736155985843     
   5.1854350270460738        6.6555976047017316        6.8981888541377856     
   3.7279969867035820        9.4029221813336807        6.1689967756274120     
   7.3125229436831907        5.5984524942112275        5.8172693846866839     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.569336210440269     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5737947487695965        1.3712571346431288       -1.4227908369874600     
   9.1552845164236007E-002   8.1584782055396848E-002 -0.34709402700202552     
   1.1983944393432431       -1.5337228432651104        2.8063904450273593     
   1.8472343236522635      -0.10560525784879371       -1.3296040932414894     
   8.7532951387880503E-002  -9.6026843420004560E-002  -9.3559076339938291E-004
 -0.64940577072191419       0.28135582808287052       0.29453449895271799     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.3704770798256112       -1.7161282895581900       -4.2527687068920610     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2898252147302618        1.3170290381803802       0.24106291576174105     
**************************************************
     Configuration num.    615
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8125746133329544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9362167202984608        7.1312156308437169        6.2157741227094885     
   6.4987698209509093        7.9581876341946751        6.7541286669414182     
   5.5305997197199241        7.4622715669909701        5.2481762921221407     
   5.4131816222628721        6.3761658013954650        6.7772907798127511     
   3.7579379863666693        9.3839426983304897        6.2074953294096487     
   7.3790362325644008        5.5556152945699697        5.8413938283280755     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.503437347617819     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6205308702722663       0.11826414692149431      -0.15523890725745815     
 -0.64498554193391366       -1.2238123074234568      -0.49621724631047920     
  0.14280278265563734      -0.36629379421231045       0.27073939916635276     
 -0.73202958659213935       0.45662795904266634       0.37430090482355283     
  0.23217259191249492      -0.24464819150074801        2.8132418844284159E-002
 -0.62045979748766078        1.2603516626870883       -2.0652975243849125E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7054849625742501       -4.0610924609746082      -0.84364219985734235     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5134483208813230      -0.47731763121410276      -0.60779574861002217     
**************************************************
     Configuration num.    616
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8125746133329544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9358032728882959        7.1470670100913463        6.1621550951477717     
   6.3791014852177916        7.9982578622275540        6.6058890651614908     
   5.5245351653869861        7.4782236605807011        5.1391232873520281     
   5.3952859062903693        6.3874107359187891        6.6961594057649538     
   3.7661331929675534        9.3751363427961660        6.2384617793746484     
   7.3871860557493658        5.5514619586613403        5.8667756158164694     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.385965878875368     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.34070297641066161       -1.1735925306169035       -2.7956156049905880     
  0.79222851450022724       0.53006881308180609        1.0184739592487042     
  0.58430952531696889      -0.96487993876934119        1.3606892957461376     
 -0.72648256541714162       0.49888383386525564       0.46030212785797903     
  0.24779876089856692      -0.24667069565142596        1.1328844920404514E-002
 -0.55755053665170484        1.3559291312584796       -5.5505725329853678E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1585878429664114       -3.1002176993500292       -1.1809811977521973     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.6994808877454814       0.97914006784215191      -0.41190029096510083     
**************************************************
     Configuration num.    617
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8125746133329544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0767115790192410        6.8097998118936287        6.4114152465629948     
   6.4617048010615319        6.9611139061952336        7.2841053627319141     
   6.2106848167913729        7.7884624409289458        5.9222195129722239     
   4.9744722008004709        6.4225071622056742        6.5340870461917211     
   3.8887024255893441        9.4538298254814830        6.2025546550458621     
   7.1776225853487778        5.6650836909124589        5.6716494190407598     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.457877801645282     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.6183641688018602      -0.34595686700271588       -4.1535381767934059     
   2.0749811771206006       0.76785020892321776        5.8725808463435500     
 -0.89856074530870855      -0.30543578644728275      -0.38465717462942334     
   1.9732580477076984       0.86022338452285330      -0.69817759168172699     
   3.3202014636035421E-002  -1.5354798310559692E-002   3.6660057571568018E-002
  0.43539761398561944      -0.96154193899633289      -0.67261545471718864     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4522844409000144       0.10208227274874430        4.7107873650313081     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5636889308747606        1.5144535885265351        1.9847231344437111     
**************************************************
     Configuration num.    618
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8125746133329544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0478200128590807        6.8121888947239029        6.3674002567038350     
   6.5874667321320182        6.8573424771846989        7.4946540725441615     
   6.2373775994884504        7.7934430704037885        5.9155770581866953     
   5.1436282647685321        6.3380854033556995        6.4670517371395109     
   3.8741767940056304        9.4811272611294815        6.1749705188811852     
   7.1656504167521735        5.6576479019422639        5.6987027188671950     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.367416090339933     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.5012114773606937        1.4924655278111918        3.8877425361362881     
  -1.9748918132806283       0.45000571793341637       -2.3651788753890512     
  -1.0138313730245350      -0.16523921258796256       -6.8491201190159820E-002
  -2.6228509368558575      -0.37112648065604292       -9.6165520178390890E-002
   4.7565953874765934E-002  -3.2824332394506869E-002   9.6215088001568062E-003
   1.0612627396117436       -1.3733474305938014       -1.3694345311436305     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.5831223777346839        1.0167709367961557       -2.1189847697471280     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.83371737076107588        1.3612382937813539       -2.5384286250172541     
**************************************************
     Configuration num.    619
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.8125746133329544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2271484127370602        6.8616166236829548        6.4786971537091302     
   6.5449255539826288        6.8510683026027266        7.5124343125566346     
   6.0846741261548853        7.7419670720104223        5.8838774877195821     
   5.1357699605992062        6.3517657852240914        6.3522398514277008     
   3.8554452076584140        9.4850957353293275        6.2054087843761874     
   7.1465431294264921        5.6419061705258402        5.6450827151479306     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.600174590905908     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.9345622643448999       -2.3159467705662613      -0.50385309313123805     
  -4.4656217770066217E-002  0.68196501126825038       0.27491742260685981     
  0.43033098479785753        1.1124907014692409       0.11214863518089929     
   1.9764558552585396        1.4784008981044687        1.0177943382551460     
   7.8521631379718099E-002  -6.2726231475424193E-002  -1.2325701924393802E-002
   1.4939595311678746      -0.89376603204257032      -0.88788355503099980     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3835296742753431       0.66053194743372501       0.23460686432878541     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.0375945092418517       0.57689466691402469       -1.6769022858552354     
**************************************************
     Configuration num.    620
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7827173047535530E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1987006940962441        6.8581946412663353        6.4991473247393037     
   6.5291707203062082        6.9160206867628400        7.5557073305142337     
   6.0535124903306725        7.7358705928046332        5.8740860229744518     
   5.2631346847737408        6.5564072321960483        6.4373625763421796     
   3.8469537790036679        9.4988910782935161        6.2307341088583463     
   7.1555956538953938        5.5995409469620085        5.5994475687395253     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.607023493308589     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.4107774851172779       0.69945176792771679       -4.8415062864245711E-002
   9.5962886633543687E-002  0.40578044877455782      -0.71169870130191226     
   1.0116668596223239       0.91733288469767305       0.25411191704176561     
  -4.7218667848669895       -2.1203384244890455       0.30682275371495210     
   9.8125300902193971E-002 -0.11614862712573894        1.7799930692947546E-004
  0.10432794483962740       0.21343832154914005       0.20014842805613187     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.3866591418274914       0.41037037537219223       -1.5799020493400844     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.2867871436769689      -0.16444176895616200      -0.32399058581290369     
**************************************************
     Configuration num.    621
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7827173047535530E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9561994348550060        7.0236741539389769        6.1433936998917558     
   6.2505960942059122        7.4893063588633915        7.0383945811234208     
   6.0647758210896914        7.7715501165104568        5.4169710293204059     
   4.8760325741323634        6.3684337623321294        6.2225331841104481     
   3.8546879197030419        9.0855352513179568        6.3608076317581794     
   7.3038521556995422        5.9093359658118594        5.7240770421771057     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.490724982486881     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.6140296421809044       -2.8681398695323113        8.9406282467501666E-002
  -7.9302624507790784E-002  0.37168063229786547        1.6772263101046294     
 -0.88480358705345941       0.97718029787018312       -1.3700659513616418     
   3.0699890956547762        2.2439355676329633      -0.36696182525006715     
 -0.16296017171359628       0.17901159515724183        6.0634577336667154E-002
  0.67160366091607571      -0.90179707303243872       -9.0222747931778480E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.4129733444203421       0.31701508250099386        1.7692247405545425     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.4725479253603915       0.20429022546881170       0.45871229198413599     
**************************************************
     Configuration num.    622
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7827173047535530E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3085206057873249        7.1699975348566527        6.2039430957664683     
   6.5721942320261340        7.5824646849171273        7.2303526139733787     
   6.3512214787134535        8.1723639932525867        5.8114349457130370     
   5.3135212847338202        6.7346719489386446        6.1848501095102888     
   3.6669495228476023        8.9108224114186729        6.4677577570598865     
   7.2542662186974862        5.9374228026701719        5.5347018952292508     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.522581659337906     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.2365514700873095        1.6871683812991214        2.4353565034099320     
  -3.7573038665146191E-002  -1.6028125286317549      -0.19086547301713158     
 -0.22825728109509730       0.19994238613834675       -1.7694552819995315     
 -0.46195056090678566       0.84143682685436105       0.30436013985099336     
  -9.8336236293494930E-002  0.12856103509723060        5.3827793567244195E-002
   2.0614901027469834       -1.2543335029526950      -0.83344138011608482     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.0349163716535683       0.42366433828343925       0.45683278594515242     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5341265605918171      -0.78398450782820439       -1.2443887930473660     
**************************************************
     Configuration num.    623
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7827173047535530E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0382034468331476        7.2827811437688199        5.9245577855321496     
   5.8338331145122222        7.3993950221921052        6.9635773548478932     
   6.1951388802794805        8.1003180161664172        5.2733431425632462     
   5.0640104170838329        6.9298686402679470        5.6501123379447611     
   4.1030057387454697        9.0578139225242769        6.4542537592007099     
   7.0388569926337663        5.7589821015745466        5.7939993745029064     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.544801131930626     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3616891019171447       -2.0890088058943332       0.38948434632512829     
  0.74974981615296454       0.89691182937221536       0.89264048030392396     
   1.1819174702700539       0.96296259673984841      -0.41065294773558070     
 -0.71940386108336218      -0.37288491561243553      -0.63967500133076582     
 -0.69717726777180877       0.73186161655136761       0.14503448099563415     
  0.84727520268006973      -0.13029857682290552      -0.37504030731635213     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2747935520144282        1.9248097603054883       0.80802850672998749     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1022949366382122       0.74636461255300413      -0.25600597684018717     
**************************************************
     Configuration num.    624
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7827173047535530E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0724010534407586        7.2613856914137092        5.8402061244628705     
   6.0569557002473102        7.7899798619709824        6.8763844680495136     
   6.1590739428591359        7.8723167906321931        4.9304545305941874     
   5.0203060022751700        7.0797198094318610        5.9204510418411838     
   4.1119500958286377        9.0810735386091963        6.6577392603232193     
   7.0021530556282077        5.7077203881946987        5.6371141323313214     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.572204638801395     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.47962344765221249       0.61183994326714841        1.2192220202689958     
   1.3278360118005055      -0.53009113962050836       -1.5871648983421758     
  0.57246509754143404       0.15998873333780350       0.47228556114680187     
 -0.97303261049485368       -1.0210573225744657      -0.49740360306256570     
 -0.56575341326807793       0.62303677601895457       0.23228576666077325     
  0.11850897158111605       0.15792090421993332       0.16148949259953438     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6597347019415176       0.43849113579845495       -2.3379834384712352     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   3.7780745737076273E-002 -0.27802488443811907       0.26505775732396314     
**************************************************
     Configuration num.    625
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7861237502889014E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0535459592976686        7.3355414373724033        5.9460578113640175     
   6.3807125575724379        7.6010628285258264        6.9516619662435160     
   6.4931417648603951        7.9058057865452902        5.1808856261658507     
   4.9475801943896069        7.3270782468419586        5.9646137206850360     
   4.0596772165604449        8.9679111560083484        6.6808036078807325     
   6.9947997551651886        5.7853877135585794        5.5364577699426878     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.627838890791740     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.32787951433106732       -1.2065460124083374       0.82028105671743590     
  0.13522810314601716       0.14743727039262988       -4.5120589547075637E-002
   9.9474636814212841E-002   1.5725949198584619      -0.80847669950594980     
  0.41901764923794654      -0.73631172185392524      -0.44636588916065273     
 -0.90346499468052932        1.0287129696322530       0.39158676181329383     
  -7.6527679433652740E-002 -0.80818521896151096        8.9504459210167892E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.81034394525387610        3.1898093762233444       0.20812776856663973     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1396846749915177        1.5619771710404320E-002 -0.51662207091509638     
**************************************************
     Configuration num.    626
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7861237502889014E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0480990872251361        7.3187068821256345        5.9847106905060770     
   6.3762307427777944        7.8097513167456238        6.9135900106522019     
   6.4613100692319625        7.8203481148592209        5.1813958528109492     
   4.9250522954144920        7.2710455571587529        5.9171192236791965     
   4.0730698404772534        8.9786726082139694        6.6678679050681504     
   6.9898912656814591        5.7727479248417124        5.5458949020400397     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.491315860867189     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.53805481651689346      -0.96419235903519074       0.63197236774508458     
  -2.2855081083412467E-002 -0.71243806233255635        2.6640764505665056E-002
  0.26627378756331826        1.9889120769462798       -1.6849095831690701     
   1.1351332890627475      -0.60448643190590146       0.13794518992554097     
 -0.90456475585047691        1.0511985559565433       0.32912123341409621     
   6.4889640597113218E-002 -0.76062523658937331       0.55819786816357020     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.18710902784450550        2.9384324135168081       0.69637616830539484     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.3849200511674822       -1.0750876031710479      -0.87384339987092674     
**************************************************
     Configuration num.    627
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7861237502889014E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2054124801746795        7.1259417146958084        5.6545763329437264     
   5.5722210720710761        7.3024318653415321        6.6352320214220759     
   7.0243996737990413        7.7787222549277528        5.4175122829585707     
   5.6574195493692008        6.9499368167710687        4.6769750163900436     
   3.8646783529793964        9.5085435509342418        6.6914964995461270     
   7.0895393488418241        5.4063474538133303        5.7787971183303615     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.722726882230742     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1869875099317138       -1.8779674537007554       0.14626537127524836     
   1.1349873343289421       -3.9482317047378798E-002  -2.1433784236867717     
  0.39888391245714849       0.71905597477564476       0.45487520755172950     
  -6.5869367976945120E-002  0.44201753298853697        1.3917473944443501     
  0.11734285281783534      -0.13431744585778985       -1.5923004998275012E-002
 -0.39937495062835371       0.89160168795547079       0.16326963344345835     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3607771937745365       -1.7049500897270160       -3.8230000805313171     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3889406142790641      -0.61494397143562685        1.0645258392986292     
**************************************************
     Configuration num.    628
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7861237502889014E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.7570827593202489        7.2809786474328364        6.0055207842250704     
   6.3382414205816602        7.8820293099728644        6.8787657529419439     
   7.6967797245229077        7.7974527560795650        5.8648760463240137     
   5.9819276133405985        7.3813871501804007        5.1585101379331997     
   3.6650730495197164        9.1477077995095648        6.0372809770753983     
   6.9033452678871914        5.5984735977048139        6.1818371614324992     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.682887303395091     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.3519139678676328        2.6689900721105877      -0.47845115419059969     
 -0.15583217158387042       -1.2325485002374503      -0.59481574659492675     
  0.66796064070822792      -0.14787714305016128      -0.78172082913713625     
   1.2535832521673660       0.66480661467347602        1.0939593301022823     
   5.5843752182282970E-002  -5.4391247839964008E-003  -7.7936879113977642E-003
  0.52991067890313248       -1.9474744549298282       0.76898264911592940     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.83378606279972844        1.9408460042870159       -1.6329125235354167     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.35480381881720424       -1.8104696796902673       -1.0982512389736574     
**************************************************
     Configuration num.    629
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7861237502889014E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0693378364099440        6.9290415310667433        6.1524855468618620     
   5.0710692079983488        6.5310168203552657        5.5656247632230915     
   5.6714040378867887        7.2452051539755047        7.1713950384790941     
   6.5088243604146649        7.8507736811342692        5.6104375281710936     
   3.6017938101738123        8.9979560016231765        5.8337797810016481     
   7.5116590283640958        6.0292343637390324        6.2853068979759561     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.467677798993691     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.9428508829630258        2.7404745916662088       -1.0306720570819672     
   2.6577228360012795       0.56474339721869016        1.0982916024508935     
  0.52293673783694905      -0.25427006639571337       -1.1038320229649892     
  -1.6767404987856103      -0.91070898385937515       0.73711617440635591     
  -5.5005394901687384E-002  -8.9609606303381276E-003  -8.7610506146517948E-004
   1.4953337895167007       -2.1302597800015999       0.30068193545861299     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5509059930175808       0.27645790175840756       -2.4776692481707983     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.5809284617905321      -0.34971402156221049        9.0170800799362044E-002
**************************************************
     Configuration num.    630
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7795171989416100E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0536208704729617        7.1107352096202749        6.0931548445806962     
   5.6435720208985911        7.1232412182825140        5.0544254322729039     
   5.4024204593307426        6.8780215832353928        7.0235862743892508     
   6.0936705670248701        8.2020122612393429        6.2664632776351059     
   3.7709230825254920        8.8862124697230644        6.0365687818955962     
   7.3604496700972941        6.0144035464366548        6.1029548261825877     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.450566063200998     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.8795217956267090        1.2496139262660073       0.81454025655991447     
 -0.59164597955086284      -0.55330260525563535        1.0186395600515037     
  0.22529045779373036      -0.18813506362079968       -2.0412754789183918     
   1.3700978049147916        6.9107019148235971E-002   5.1734344384200319E-002
 -0.38484317574174431       0.37533913427408105        2.6432470809100248E-003
   2.2595992156683584      -0.95180172310108235       0.15299718901117582     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.3322014001707503        1.2507233407985967       -3.2569878850468021     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5920253150331112       0.34756047071984919        1.0158763742231811     
**************************************************
     Configuration num.    631
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7795171989416100E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9767983227372774        7.0977493748143452        6.1622734023790704     
   5.4761326540634396        6.4791739228839811        5.4628192746226025     
   5.6839055403700041        6.9077852116525928        7.1340100123679138     
   5.8170590971983520        8.2352071174927861        6.0379223813697873     
   3.7057514906630868        8.7840354915855290        6.0508109497783735     
   7.4699892602487745        6.1865438028515296        6.0325456277532137     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.401499291085660     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.10277709960221730        1.4965016170973533       -1.0251960411687597     
  -1.7320047887646308       0.27907017014585900      -0.66258563435323592     
  -1.1556165543868064      -0.45849646105166436        2.1428913781511314     
  0.87294126462271104       -1.4391261923310774      -0.46951782446820234     
 -0.56961897355789914       0.41713781287046198        2.7349274851499312E-002
   2.6864990747297490      -0.29546682281235559       -1.4422499397609926E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   5.5772188971338412       -1.1641397783798479        1.8347732945152369     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0396995472883224      -0.43193139951789589      -0.28183112698513657     
**************************************************
     Configuration num.    632
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7795171989416100E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0104673669909179        7.1530234788612566        6.1530067844511720     
   5.4297135516163921        6.4951525019662348        5.4910190325400920     
   5.5663922099791847        6.9462781183190030        7.1773951107606244     
   5.7587491830416422        8.1397878852678698        5.7455954029519285     
   3.7048659740213763        8.8211790716104126        6.0505444305935221     
   7.4845427456786808        6.1352940462604204        6.0608568776057812     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.473280432024012     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1215493094233957       -2.4073182458802105       0.63196997506782848     
 -0.67094986277349722       0.34772434131772223       0.10851360151475009     
  0.57728297386180283       0.78734994178301121      -0.98547846014745810     
   1.1140579337715608       0.62065891605701895       0.25490382375424470     
 -0.49966231745927570       0.35227118788145573       -5.0295962330856425E-002
   1.6004099667490590       0.29964136238608774        4.0001913235694610E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.8003168124762627       -8.4096681521533736E-004  -1.6319090566738941     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.95163267596382484       0.23520372386286409       0.44441972863290952     
**************************************************
     Configuration num.    633
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7795171989416100E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0243182586603989        7.2962013406891808        6.1562418785948436     
   4.9178069767167827        6.8438747792810801        6.0177986559946302     
   6.1250656192463042        7.9030902574335462        7.0035163987754858     
   6.3530464855170443        7.8171614163386298        5.2666212804419148     
   3.4710106993339673        8.5792261430579977        6.0149889101735354     
   7.6413771869468059        6.2178432265146348        6.1095406559560699     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.542889727241569     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.92939186909318550       -1.7042297396269792       -2.0820915926284194     
   2.5624873820115992       0.50125577586283154       0.42676892580842807     
   2.0183872907988395E-002  0.75723753081085465        1.4664703430265096     
 -0.74273894364438175       0.60507238639690419      -0.26748934671479302     
 -0.28123481546301771       0.17327342136977508       -1.7149866574687346E-002
 -0.63012898027188124      -0.33354893031617294       0.47403410585671207     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.3932899812821318       0.56702974398354156       0.73499354697464314     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0984818746925837        1.9495537162968153E-002  0.36580752927489585     
**************************************************
     Configuration num.    634
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7795171989416100E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2375593626782946        7.0201298683265643        6.4796921712349258     
   5.7923972119171605        7.7645690669034400        5.8308283615971845     
   5.4651517964552134        6.3628498194780603        6.3035604757238053     
   6.3619114154008196        7.0157261431410474        7.5238332144394455     
   3.2178894173444461        8.6445078595705507        6.1499699628905304     
   7.7970341000668197        6.4064136564683585        5.7103759140987087     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.565776044907121     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1841147388876374       -2.3399738325542176E-002  -1.8395824882263883     
  0.49140442180861821        1.6210716549934809       0.59888629194628129     
  -1.5991952516758425       -2.7115781135388133      -0.40947024648537100     
  0.34800559199006320        1.0935089295625358        1.3659287113942129     
  0.11890900189424004       -7.4930063336061836E-002  -7.0520349821398976E-003
 -0.54062540494290545        9.7338731924658389E-002  0.29063437436671369     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.43350513275492214        2.0550419663591444       0.25127900785795038     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.7879338047477311       0.47189518505851319       0.65189509860492445     
**************************************************
     Configuration num.    635
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7793788996675827E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3437741744083089        7.1755498243379030        6.1801880544613272     
   6.1787109846820103        7.9651865431692386        5.5663221518955392     
   5.7207905831965853        6.3663305525823182        6.1215819748371665     
   6.4187018850936752        7.5866098016902699        7.1719819036905159     
   3.1194754161336098        8.6587204235769910        6.3596802929701166     
   7.7806279670017009        6.2521092366717337        5.6922061597649494     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.598232555112642     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6965242029468171      -0.85708999176390888        1.7336227745042607     
 -0.78682752974469761        2.1585952813963729       -2.3729832319307258     
  -2.8175419121477483       -1.1724582152143808        3.6501707110975619E-002
  0.23498815300533021      -0.12991060479985411       0.78223837493861925     
  0.14604120422376637       -2.7351109868907389E-002   6.1117966107020315E-003
   1.5244664050488153        2.9325284143874749E-002 -0.18537940465873792     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.0267863199024498        1.8052706807212056        1.5742839156548714     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.51263544320309362       -1.2890801243193841       0.14543982006379966     
**************************************************
     Configuration num.    636
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7793788996675827E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9713976287449029        7.3766807973705220        6.2958735994903181     
   5.9096822313285999        8.0508353505285051        5.4008822201586630     
   5.4356247087529361        6.4653929959145175        6.5267922564370444     
   6.5266136195730011        7.7998309045321124        7.0494657134025553     
   3.5013281996287446        8.5318198664889877        6.4144325008416025     
   7.5752834130847404        6.2659724335581375        5.5850319926899044     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.475767315680287     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.56626222573306118      -0.82268132766514834       -3.1032477684540192     
 -0.72957970549622342       -1.0834053264041783       0.95214474300300544     
 -0.77472166963064093       0.57022712325577629      -0.25479493339922998     
  0.75067557506200266        1.2074036682010947        2.2073881127011745     
   5.0037818497682983E-002   6.5351982294889907E-002  0.17279349656967954     
  0.13412450981597343        6.2725836228361892E-002   2.5282341381758836E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.62789710075256233       -1.1724482351307184       0.13274792341609681     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.41931418198453407        1.8086538267234733       0.87486816898459918     
**************************************************
     Configuration num.    637
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7793788996675827E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3449284594859918        7.6225046372102927        6.2279410669474542     
   5.7447546521737314        8.2435955641297145        5.4424230932795696     
   5.4618459671702562        7.2202132050769094        6.5849137868052763     
   7.0206342474061314        8.2304542763302440        7.0131531707163859     
   3.3451270186353055        8.2231895170617353        6.4132180087942041     
   7.5648488781609480        6.3358245323842457        5.6021136385793051     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.428136080242894     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.6619941420567477        2.5441468043018696      -0.54643309786736005     
   1.8826991978746996      -0.50124451215140964       0.51084110153259743     
  -1.5646035092498880       -1.7755397642142055        1.7379742330989023     
  -1.8542021294441318       -1.0598782012509840       -1.7408743946054384     
 -0.24943114011554854       0.12194255725749670        1.1736568615285367E-002
 -0.87869241985017243       0.67173920088445360        2.7265973171110298E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.5141973493308967       -1.4490227601743331       -1.5986383092617480     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.5326508291434739       -1.3506490065192347       -2.7362544525159129     
**************************************************
     Configuration num.    638
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7793788996675827E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2325567241548807        7.4663002535353575        6.1516454336042257     
   6.2449953252152044        8.1497683441433111        5.3447045131092681     
   5.3542644252492471        7.1938460744139414        6.6690166409795060     
   6.8585276542340550        8.0701332371787888        6.9833447659051009     
   3.3488094694866146        8.2781600551163574        6.4168814046157552     
   7.5732242718155600        6.3654232102358348        5.6291975243789114     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.411419038461876     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.5237186186431959        2.2891005558958675        2.3901084051369614     
  -1.1420760913031087       0.68428448869845826      -0.92009224765179498     
  -1.5043239883911483       -1.1661521621368403      -0.18318200388826802     
  -1.4300043730175240      -0.85107204101490341       -1.3491484531378584     
 -0.32983659743541133       0.15055821718018181       0.11420865091183695     
 -0.11610132688619706       -1.1064953517137530       -5.1368282325329445E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.80355268836534099       0.99745916469663121      -0.92186865621593195     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2625401058038765       -1.1418496248014858      -0.98303170872223611     
**************************************************
     Configuration num.    639
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7793788996675827E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3173271613548136        7.3981568909521584        6.1820053432233184     
   6.3359074382782428        8.1701645062195638        5.3523479220172101     
   5.2099823860952377        6.9693862256628503        6.4766034221220847     
   6.7607138859339564        8.1287196902284062        6.9131910592697317     
   3.3394269272932959        8.3267940668092457        6.4282149569574436     
   7.5709450944465271        6.3562887856720378        5.6363402982128461     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.405895991368652     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7479383308634451        2.6218242495659561       0.11614673200909252     
  -1.3222097381581910      -0.89337407410915126       0.31122419708592519     
   2.4912763945101037        1.1468001453811230      -0.83297987390559647     
 -0.51139300844052571       -1.0929450082217964       0.52703051168069304     
 -0.23113403293958995        2.3237456181302886E-002   8.2672354607756349E-002
   1.3210489769354199       -1.8047035562253129      -0.20406402607689433     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.90217734703623720      -0.53401001698351480      -0.50146859759893347     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.7393986539951638        1.1741029960944955       0.62083285490491402     
**************************************************
     Configuration num.    640
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7991330582540589E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5141265601964644        7.4419053538898776        6.4636858402034907     
   6.8921462411414449        8.3977453983406729        6.6317037048758216     
   5.4416263696968343        7.4392633030554123        5.9312329604374625     
   6.2017365971641540        6.7921655306270683        7.3625300838066536     
   3.0950556951839174        8.3761691334657549        6.0507212756743787     
   7.7228169733201595        6.3641986306451823        5.7848953330605495     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.625994976858696     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.1166099872836313       -3.4734147543278833       0.54762842653832255     
  0.64754917841566839        1.6582958902772174       0.53197824093141111     
   2.0617988727592418       0.42115255517987737       0.29928524416316815     
  0.49187632620423627        1.7248867856391406      -0.41654540100324133     
  0.14017390500781579       -6.3184834218448588E-002  -2.5345835620957419E-003
  0.77527034559393515      -0.26788947439570071      -0.96054514038159522     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.8126155593593178       0.14506464348206544      -0.32923326038394168     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.37453269174409654        1.6682345194553965       -1.0500999947695240     
**************************************************
     Configuration num.    641
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7991330582540589E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4474257260223942        7.4426218475968300        6.4075282675491145     
   6.9969834561613178        8.4059254415340696        6.7519673380145129     
   5.4849868641530479        7.4737156802528988        6.0350200229752939     
   6.3342561754636000        6.9797461959268130        7.3381623786753387     
   3.0825385128471998        8.3767263130148777        6.0864683450984263     
   7.7262594530410933        6.3374248220751968        5.7456443751918256     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.547886747418485     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.0065196421907032        1.2716826628988724        2.0548387639856336     
  -1.1327751847641392       -1.0087343036951610       -1.3075399919129413     
  -2.1354897851481720       0.46418483018585766       -2.0128754632753152     
 -0.55553733984182330      -0.86209588558185268        1.9219837538706175     
  0.11824816069369171       -4.6576571697808544E-002   2.7427081464789439E-002
 -0.29940516431618636       0.18266644997709452      -0.68436960466225460     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.33314212333991583       -1.2423729104903953        1.7787605873905545     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.40857632124141802       -1.3054916695735033        4.2650751472480694E-002
**************************************************
     Configuration num.    642
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7991330582540589E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5589510713244525        7.4621669514293592        6.5489403334598508     
   6.8983816910468736        8.4245927373587968        6.3302388932154203     
   5.5343974493100703        7.6418185524098305        5.9295761720175735     
   6.2604046263645747        7.2184683852891007        7.6112503266694249     
   3.1617281149257135        8.3388049798749062        6.0679567531693497     
   7.6231689115160695        6.3207181781326014        5.7449146354253342     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.614787507228812     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.8145971260885507      -0.37417798703331734      -0.86338842160515161     
   1.4021724832015703        1.8475144226597915       0.57763223197258506     
   1.3422509523927539       -1.1919123668840386        1.3104517269944904     
  0.67684051889382646       0.21853791303224321       -1.0368655685175683     
  0.11640538179920103        2.0283412770023716E-002  -2.8829383138510134E-002
  0.27627561206780415      -0.52085278840466631        3.9458219869487263E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4103153840474094        1.4703892998947510       -2.4238760522781102     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.1150477956513043       0.89440312898197161      -0.64450847738071959     
**************************************************
     Configuration num.    643
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7991330582540589E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6085314377073523        7.7044475701497470        6.2889522648960572     
   7.0516625407084330        8.5447551569762883        5.8499813633931668     
   5.5555617711463405        7.8209816174007276        6.1328834078294232     
   6.6309009795806295        8.0345614253908160        7.3643919110347555     
   3.3600185202553621        8.2168660343187554        6.0259006916104569     
   7.3465980819774455        6.2347281300833988        5.9341501043714651     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.665409523306835     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.81261648965427224        1.9793709969842466        2.7574683571087095     
   1.1851592458689157        1.1760847745565790       -1.4318340705407362     
  -1.3819889151990421      -0.68797279281288326      -0.82258513839904668     
  0.44651475637776550      -0.91873741151494459      -0.15862421077234221     
 -0.20100008771915184        9.1545772799029340E-002   4.3660695338638917E-003
  0.76336016808780749       -1.6395284058115820      -0.34716366835294332     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.5831961799589074        2.3361226422409409       0.10866885750345792     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.22904913033911639      -0.76151195960072882       -4.2287025317389836E-002
**************************************************
     Configuration num.    644
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7991330582540589E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5448510350612423        7.8067841759163006        6.2892152459163269     
   7.2237185164318714        8.4962307959192636        5.7768281919703188     
   5.4646416407187575        7.5865515278317588        5.9959439361921216     
   6.7460953046742569        7.9222977117162863        7.4702896854386083     
   3.3756338530151018        8.1874890576819741        6.0362603307519347     
   7.3304057778647778        6.2740254995032991        5.9354572017428584     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.599518930918975     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.40842101590978802      -0.44569935256183263        2.5541194886788627     
 -0.81328505903142512       0.62870041807285282      -0.17724195581576535     
  0.68015025933497930        1.4318351950903492       0.39936016701611848     
 -0.93433955725646511       0.12616782318716610       -2.3830644579171736     
 -0.29215088473666795       -7.7046729073093840E-003  -4.7459126450746299E-002
  0.94913344425666524       -1.7332219554238615      -0.34294091523427139     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.13905386284602103        2.1082220824960856       -3.0121445622272298     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.1913931307222603        2.4607511399135865E-002  -1.0575579652325742     
**************************************************
     Configuration num.    645
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7937244107584180E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5188846527999571        7.9061794768667140        6.3506432276914841     
   7.2221370753318732        8.5006485288601716        5.7388451027938325     
   5.4768862031200953        7.6700749149506180        5.9891277969298997     
   6.6586427632626064        7.8622745546224797        7.3385924421799462     
   3.3808155038711676        8.1604696115856648        6.0231099747289640     
   7.3426849878041756        6.2642212970626900        5.9477098734425882     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.511308976596869     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.27831836781714669       -2.1081073304851885       -4.8244151233570571     
 -0.86054702947704032       0.64050168268984520       0.53766208720516673     
  0.42762314920103045        1.1543956352185041       0.34568316189394932     
  0.27766943945031086       0.76169993570117711        4.0251706583584435     
 -0.33981761916195896        2.5994625403915773E-002  -3.9856895086655839E-002
  0.21640143396192119      -0.47455728248101403       -4.5014789594507616E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.10791662032566864       0.29932806105415227        2.7181273400554860     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.96624530376360329       0.11393776291105584       0.61637017387504733     
**************************************************
     Configuration num.    646
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7937244107584180E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5625609981998831        7.8553836662431875        6.2665316301812286     
   7.0860553369381698        8.6839974502818151        5.8000872722047463     
   5.5240807358240858        7.9600476075232471        6.0809102586786468     
   6.5830791905036916        8.0046781252206447        7.5367259855366839     
   3.3886652470968586        8.1068023356779939        6.0000942794501135     
   7.3385925155907001        6.2656280518023184        5.9596018753705238     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.513278973056000     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.4620614359119477       0.41605941153188847        4.5193164979592693     
  0.62396054191722916        1.9612183575378098E-002 -0.15864666441292657     
  -1.7077952804423355      -0.69252122423272333      -0.76662260424940110     
  0.24645241223474071      -0.23521431417268371       -3.3292667316809608     
 -0.35874001163897939       0.11042452040494723       -2.0484346435834275E-002
 -0.26977390182240196       0.38329892245421637      -0.24423179962633806     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4568014334226245       -1.1180649559839493       -4.1582136065219322     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.66889006141107210      -0.30151961248740849       0.47312679828823334     
**************************************************
     Configuration num.    647
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7937244107584180E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5859802267217766        7.8790354466016863        6.3047387967321091     
   7.0545119094656998        8.8121402135677531        5.8854116814262429     
   5.4400773491203331        8.1096018368231046        6.0757244644495332     
   6.5913659877146280        8.1204970473211748        7.2782397721785337     
   3.3990942601952532        8.0260907234090251        5.9832363984230605     
   7.3323310401924875        6.2939281560851850        5.9836378264063317     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.396588197826528     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5952883741417390        1.8309245155182716       -3.3056607988785567     
  0.59158193129464121       -1.1303556012699709      -0.52067236471461031     
   1.2472270991152892       -1.5712106365004526      -0.28766687028976090     
  0.40576620151645226        7.2608496824857496E-002   4.2456800161944530     
 -0.38320557663470345       0.15213329418373758       -1.5931368884418838E-002
 -0.26696417836260194       0.64477113053621704      -0.11398668645793379     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.43083573402217529       -2.7259507024305991        3.5507564546333183     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2138318106150867       0.59694247973297809        6.2284691966144182E-002
**************************************************
     Configuration num.    648
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7937244107584180E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6472919093061638        7.9519933704822998        6.4557560600093105     
   7.2764772982700983        8.6265169790363316        5.7656410195421337     
   5.6539254462681310        7.8191814697139197        6.0006434634517785     
   6.6615877004141000        8.1061931242021359        7.4947234551117150     
   3.4205242068538495        7.9428498613856222        5.9569955809888908     
   7.2330358800363710        6.4077755246188506        5.9562753823555008     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.554905104754429     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.31301737227308257       0.94164790834383061       -3.7136662400714040     
 -0.94011419929937690       -9.2988453794291936E-002   1.5613622666425473     
 -0.68576002006258407        1.2330775228188964       0.70693445537834954     
  0.16712973604560410       0.34129533838617626        1.4417699124799834     
 -0.24242322860968288        2.2337624024612204E-003  -6.9025893018672513E-002
   1.3916198396849115       -2.4265300667739638        7.3253034478337670E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2254699737074390        2.8200955179722005      -0.45438242060594852     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.4545740813283063       0.98642878241029142       0.51073232775171007     
**************************************************
     Configuration num.    649
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7937244107584180E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6299816479630858        7.9666481405636675        6.4046244645114250     
   7.3097657352475940        8.8590066465781288        5.9164196223693546     
   5.5065958608942660        8.2186919019309954        6.2579589868125582     
   6.8292129035568863        8.1679615180942822        7.4326587018017030     
   3.4401117890132125        7.8839479670539232        5.9405495545844920     
   7.2132671377496855        6.3834378505627871        5.9510031931508705     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.605049237928370     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.54057984987453045        3.6479290840196135       -1.2190722061554133     
  -1.4086853558325350       -2.1100770564327127       0.47222048308222514     
   1.0214729376997140       -1.0003433938336370      -0.41165706818747383     
  0.23721208138737568      -0.36897627634100727        1.3428806634998125     
 -0.32803595395566842        9.8723404848632040E-002  -5.5279042079255901E-003
  -6.1882164836183987E-002 -0.26810090983547108      -0.17903667966170000     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2789439711591286       -2.1477996568143589       0.66782757476444610     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.75248869113262440       0.80759043150570575       0.88624930364659604     
**************************************************
     Configuration num.    650
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7860584727365677E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6621870145133597        7.8334301775589097        6.3586619888518845     
   7.3216024717863162        8.7473274408770685        6.1424552308560507     
   5.5480992380879908        7.7829474832799042        6.2352817240423919     
   6.7105638681715147        7.5548292279026681        7.4366312449007870     
   3.2231811106798354        8.1189039229042681        6.0078373678461094     
   7.4266555778797079        6.3245545715472771        5.8758946521619553     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.603058945660905     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.14747968761372485        6.2599971894500728E-002   2.2483776623892409     
  -1.2100336675152497       -1.1651713604714595       -1.2379149358819549E-002
  0.33153843881884781       0.68906694991254902       -1.0215446094218348     
   4.1583504709682889E-002   1.3439877254002184        7.9185965193985575E-002
   5.2562866601672420E-002  -9.0009253648439674E-003   5.0257019342504601E-002
  0.63995125312210266      -0.91881590782906875       -1.3458002647850602     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1116529560576882      -0.56201099204005889       0.25996687138929742     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9120924416856633        1.9048770116299247       -6.4294042426354975E-002
**************************************************
     Configuration num.    651
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7860584727365677E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6655008878831046        7.8888846779638779        6.0679357968103984     
   7.2587345998623860        8.7229625326289497        5.5100092022965628     
   5.7115905783850129        7.6640183508395294        5.7432344547588992     
   6.3303004938496139        8.3354617682836132        7.0298236139045063     
   3.1356277776777799        8.0522674902507738        6.1686610493215648     
   7.5446367079864096        6.3004957738074649        5.9863347849749067     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.595993049304756     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0854028336177870        1.8359576817052869       0.22303271812649342     
  -1.0205783581816350       -1.5915549677270999       0.55719709022227182     
  -2.2766314788948456      -0.27588643461018203       -1.8274363832343004     
   1.1086104440731444      -0.73215040491464056       0.48945321642432998     
  0.10526839569913071        2.7670491337586554E-002   2.2990196054884829E-003
   2.2614005499038692E-004  0.73530863707639782       0.55367673881471946     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.43557832073171970       -3.0547280972080317       0.11825694014437771     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.16936739698633307       0.19009298301045691        2.1870158452706563     
**************************************************
     Configuration num.    652
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7860584727365677E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6134540619746902        7.7797842713805760        5.9735601841182868     
   7.0940894086788493        8.5464482976879026        5.3047408548333896     
   5.5268943491058407        7.7003670831600468        5.9506530880202533     
   6.8259352239680977        8.3001837098973255        6.9118455534008687     
   3.1248396023964431        8.0047397181726794        6.1339964051861227     
   7.5565520428131387        6.4047797929591255        6.0660409371030886     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.675771450984033     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.29220288407082334        3.7686653128075980       0.66630974897869510     
 -0.77054420044782668      -0.80101037043574608      -0.37468947196686692     
 -0.55984545479778314      -0.37574484235610928      -0.60085571301757257     
 -0.35188062806156606       0.15596296765398868       0.57786551526551211     
   5.8142842090720716E-002   1.3522060868636445E-002   3.5343451552360267E-003
   1.3308604164013129       -2.7624894490070311      -0.27347616935435093     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.79244925412630618        2.5622800282955276       0.18742461284226691     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.3559164150981173       0.40029819012889950       0.30222475544469618     
**************************************************
     Configuration num.    653
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7860584727365677E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2869068854738988        7.7176025481739465        6.0989768218479323     
   6.3883645785541994        8.6010082244768622        5.4598512115574742     
   5.1578240415565952        7.3006754966566803        5.8398868282435590     
   6.2007705794916843        8.1966391153965521        7.0546218768079383     
   3.2959623581351423        7.8316056571955359        6.2263410342946850     
   7.6878577773447221        6.6496022778861779        5.9100948943711735     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.639571481535768     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4400996970627000        9.3153885122527341E-002  -1.4018954902241536     
  0.33298815870452347       -9.0705781333564300E-002 -0.61457673493950249     
   2.3604773736565030       0.41475005839842255       0.64803533324125984     
  0.23279362621542216      -0.34208285569181673        1.2543476555176594     
 -0.71311520115859905        8.6530257817217709E-002   9.1012430314591657E-004
  0.22768083765835923      -0.16020183627095552       0.11493466383642384     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.42349445738083574      -0.73757473551750308       0.74998033202046110     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.83337038957091258      -0.31026547574487351      -0.67696133075530251     
**************************************************
     Configuration num.    654
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7860584727365677E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8776180132936702        7.5481471031813001        5.9450307482472429     
   6.3851526328823436        8.4880513127530950        6.2394122104977621     
   5.5517648041424250        7.3779778321243450        4.9605876384521679     
   5.4717973997683993        6.9486155284386149        6.8053125452413683     
   3.2747951426469792        7.7569159876910492        6.4517398424932235     
   7.8858491288719721        6.9265327169352160        5.7762323843614665     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.455282533502213     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.9613710913695357      -0.17213744108180790        2.7190349398542679     
  -1.4808598527456938        2.9495049079400746E-003 -0.30684342877982668     
 -0.55712327472289958      -0.10722212926035277       -1.0458818741663394     
  0.56632411489965828       0.46240873702375718       -1.2114500271354469     
 -0.25797082928317472       0.23149655110857148       -2.3478318119212090E-002
 -0.23060697810389030      -0.41631577976379164      -0.13223451961614863     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.66530064453011584      -0.49001583710239771      -0.64013783027919191     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4245608743707368       0.63726291940360891       0.46583557496290989     
**************************************************
     Configuration num.    655
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7566360503174683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2979107582275429        7.2986428902200418        6.0475446652898190     
   6.1731849736365856        7.9478041445462377        6.8506066948307387     
   6.4231691770615837        7.5723079319725421        4.9758100163504082     
   5.6120598052997233        6.3866800839299662        6.1318306809025183     
   2.9550876638993198        8.0668557609490978        6.1054092263328377     
   7.9729406756471555        6.8035504692278170        6.0931427921003181     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.453398746089078     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.61183559506947849       -2.7306329597321550       -2.5519741179382427     
 -0.78788366904454321        1.7192970045777254       0.85287287667256928     
  -1.8354279397332598       0.98919105968639065       0.81187403588769458     
  0.70954127483534413        1.2387965670859606       -4.1712477606095907E-002
  0.10413036908151523       -3.0203628062997985E-002   1.3240160926265485E-002
   2.4187240713190588       -1.1861008006686387       0.91676927977180556     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6375166046398180       0.23433996442313521      -0.67565354861640714     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5689132775346080       0.33408827618508563        1.3950860117342418     
**************************************************
     Configuration num.    656
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7566360503174683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2819564383482858        7.8872937804887693        6.8331727890138350     
   6.9920247272516223        8.6645610333782184        7.2491438455450403     
   5.5109124792750475        8.0933377918001135        6.1045229933799625     
   5.5891603932455256        7.3565729969838634        7.5028254022606848     
   3.5999766151606982        7.9288940956968457        5.4466068900992521     
   7.3465802765808830        6.4930027138422792        6.1587891530861922     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.647264993226376     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2943936530797773       -1.1997746812394205       0.74387454188598445     
 -0.97358514490365877      -0.74053526701154060      -0.33846049369030928     
   1.7761885587902978E-002  0.92569822370128130       -1.2835668403466021     
  0.64283579448773542       0.22928281458579561       0.86031760707794169     
 -0.65894623606988167        3.9350291912845295E-002 -0.26329499040750798     
 -0.32207932899548464       0.74686389411258314       0.28192708936887101     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -5.2039470217033430E-002  -1.9497584097565952       0.87279988606074976     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.59686686818887735       -1.2691748820926452        1.0543214371951801     
**************************************************
     Configuration num.    657
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7566360503174683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2958588751917830        7.7790034442379445        6.8113264272786518     
   6.9065182404939067        8.4803817949014029        7.3374130596649643     
   5.6718779400801340        8.2543006742575589        6.0982178246858920     
   5.7807567417175649        7.4051211932682399        7.6656382104022986     
   3.6174015994036579        7.9184479708033138        5.4242808444580675     
   7.2943147017248595        6.5372780737130665        6.1608993985562028     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.637253389044417     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.83483246940705447       0.51434648967461993        1.5201552852787676     
   1.2076165851554927        1.1008165351140602        8.2505149156419377E-003
 -0.95192363265170898       0.17487981508552963      -0.86989265620919065     
  -1.3014133642244172      -0.85675702765331041       0.32013943108162640     
 -0.61980008148176946        9.2294124227239954E-002 -0.30734943898878053     
  0.83251897321287782       -1.0243459396702828      -0.66942952278501844     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.7931472251026794        1.7492678034234825        1.0601154095352965     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.22343957739032611       0.25859685477488342       0.47749339187959994     
**************************************************
     Configuration num.    658
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7566360503174683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2506481922792378        7.8001133698547882        6.8505281243003475     
   7.0152833020792231        8.5015773819088754        7.2758677420798836     
   5.7101745755334203        8.2887224750810766        5.9933800232925307     
   5.6875232179577351        7.2681517941834954        7.6984832325947279     
   3.6418562879849796        7.9512496890696687        5.4368935405360643     
   7.2791035981531973        6.5065031720329243        6.1500721876054580     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.665991766421712     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0342940619410270       0.14290798556051831       0.98567003349530369     
 -0.56376394357766180      -0.22171094440704739        7.5759504008369616E-002
 -0.30323101393708080      -0.69595892643896207        1.0472446191152878     
  0.20171064704464253        1.1482948093151943       -1.4275913315178821     
 -0.69157108306167292       0.10467638714377084      -0.37513375776561375     
  0.32312103744194937      -0.47719423019719787      -0.30379913341120951     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3102697857631995      -0.93170087422013415       -1.7572993874586065     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.0686108685085356        1.5361145478874545       0.87055489590924395     
**************************************************
     Configuration num.    659
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7566360503174683E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2702000624374188        7.7271881966939873        6.9140238263070337     
   6.9420492857023097        8.4766344925931119        7.2659616980054471     
   5.7740447016937138        8.2090144936878549        6.1198215370464295     
   5.5458747449277146        7.3136208988902469        7.4834085507369554     
   3.6786843037351034        8.0204568557534959        5.4092863062572718     
   7.2526897064692077        6.4686792823311103        6.1672856603382877     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.558672074049358     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.6236703801938264       0.96810049181229163       -1.9548513337579068     
  0.61644122484405295       0.42845723054674134        1.3100347306481455     
  -1.0574109573593402       0.46540266059469243       -1.2857116235762120     
  -2.0963924374966441       -1.2206287647192640        2.3871967967132282     
 -0.62847926827643086       0.10958701982824115      -0.30223478121182040     
  0.54167710008207326      -0.75065277394562779      -0.15444768940426679     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.8898975816957773        1.3439581161957779        2.5675385323628022     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -4.0803233079992604E-002 -0.45950424595708950       0.36874959513194233     
**************************************************
     Configuration num.    660
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7419233831093544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2562577629565528        7.7633829723032379        6.9182664353785350     
   6.9071402741088761        8.4452828792782491        7.5202121780616329     
   5.8380095901421258        8.4207375133139077        6.0759531147290247     
   5.5398146570973461        7.0750156135922024        7.3640181436198819     
   3.7197378986705125        8.1489868063831477        5.4471249663562844     
   7.2137650654436598        6.3344572905795431        6.1177434891106079     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.489952354367688     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.85072849067794987       0.26609893921342814       -1.5658598646033544     
 -0.10723639431056468       -1.0438498626162056       0.24665621838816404     
   6.4956854365973690E-002  -1.3665733479412396       0.92614340952289786     
 -0.45168204249166877        1.0592096060286404       0.52115265880074557     
 -0.67235981685612234       0.18258517687608267      -0.33003983159857814     
  0.31607142570600638       0.90252763486506926       0.20268667370229090     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7334929278794446       -3.7821267802759615      -0.60935971707072578     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.37809688386160917        4.9592008655931219E-003  0.39253223315510449     
**************************************************
     Configuration num.    661
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7419233831093544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4599895293209677        7.6804637816993235        6.8673552686062598     
   7.3236807010924787        8.1059299079460470        7.3168965325488520     
   6.1319003852421021        8.2888950273133766        5.9835096880659888     
   5.5430795450751562        7.3772416235784535        7.3858868672134648     
   3.5287143506414034        8.1511335341281921        5.4738138997472632     
   7.2552439575607579        6.3794665210814667        6.1392043714878461     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.529988241907631     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1529321265025920        1.5926105107363471       -1.4838498979473336     
   1.7015590833743162E-002   1.2795772739956179        1.5483215509908717     
 -0.18400295924753510        3.3487714079992653E-002  0.96181457009941596     
  0.31542172122697165       0.21304511273957075       0.38501637912976505     
 -0.11999775029618159        4.6466130710754276E-002  -3.9034574222103977E-002
   1.1229606445922720       -3.1648209814195276       -1.3711822580429467     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.57821962584489139        3.8073651690553780       0.47076658200910559     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5869454869749633        2.6856499015528881      -0.29726103895312123     
**************************************************
     Configuration num.    662
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7419233831093544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4936499661400209        7.6838020053011098        6.8348929287375331     
   7.3297284279530022        8.3394326200163604        7.3100010203583334     
   6.3235382892874163        8.3081377396492968        5.9793116051236632     
   5.5201617618729388        7.3330512386260400        7.3525360120964356     
   3.5110270554458265        8.1758672145373765        5.4989665129536309     
   7.2418092913581962        6.3300715831906471        6.1300640270644493     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.441330988329355     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   8.4213710401002562E-002   1.8135656111658358        1.1367163805581546     
  -1.4347203019106489       -1.2647023928182120       0.53879329201089976     
  -1.3365218945703794       0.47831226273207894      -0.46059115176246634     
   1.5408423977832257        1.2145121406607617      -0.51313431263122222     
 -0.11677948312423801        3.0936715226795034E-002  -9.0291253093062115E-003
   1.2619566716928337       -2.2744973452912243      -0.69067420441605787     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4463505547443598        1.5078106648921141       0.28096133061844913     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.7550163916205701        1.1048071655772651       0.47745260154197600     
**************************************************
     Configuration num.    663
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7419233831093544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4768182386501163        7.8408599001776080        6.6847598234771208     
   7.3042293647030769        8.1894941085996606        7.2620709930092957     
   6.0189130530496726        8.4078870184193164        5.7763560546507025     
   5.5357091630415756        7.6691840818963808        7.1500909905493053     
   3.4852419544810092        8.2013847406738982        5.4288611074811399     
   7.3087890295090761        6.2190832416687964        6.3021797313765129     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.584492583289148     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -9.8919221216361528E-002 -0.34351524837065317       -2.1399511632816148     
   7.9395857119740093E-002   1.3729417578402159       0.54219611730957062     
   1.4577963339830267      -0.80150976692239428       0.78802283434348752     
 -0.70136223274744969      -0.61153188075527132        1.1898072867019742     
  -4.4276540741607820E-002   9.2479993211127404E-002  -1.8447486407186638E-002
 -0.69275895554616151       0.29409867168267662      -0.35901332951932557     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.72658725409402669      -0.78671817493751672      -0.25891582371676025     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.9350783825056583       0.93538081951718766       -1.1746611842333627     
**************************************************
     Configuration num.    664
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7419233831093544E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4173023438972416        7.8717370433771618        6.6160920961366694     
   7.2225042935164332        8.4830428174535335        7.1847328284241208     
   6.4740088131626914        8.3001790338011840        5.6080267104590611     
   5.3945529097532328        7.6488588558858082        7.1615194921214762     
   3.4496102658267693        8.1876763126312788        5.4607212191464329     
   7.3383842098092895        6.2036565511073363        6.3200114399212097     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.536594018775531     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3756056372551653      -0.50950381376812526        1.1959447988008014     
  -1.3839534853032052      -0.91888416986492127      -0.16588502333287286     
  -1.1102064708219164      -0.19461318897218183       0.13016586263848648     
   1.8987781588161283       0.65339348232222760       -1.5540022234567132     
 -0.15151292562065480        6.8983432607503101E-002   1.8618709380483583E-002
 -0.62655906976658260       0.90134441463508264       0.37590641715162920     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.3220924004050714       -2.5866154176731246       -1.6427969998957794     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.65909526556551901      -0.28922711823176650        1.5968452181931303     
**************************************************
     Configuration num.    665
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7291338659757790E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5611581764299984        7.8262493358575353        6.5108075387979456     
   7.1551564836305097        8.3902954878487304        7.1236367439385733     
   6.2273325834145714        8.3347777200266666        5.6996727199385679     
   5.5648981724538844        7.4691710416426860        6.9004750399943351     
   3.4042576623467098        8.0913982587686988        5.4687953010380355     
   7.3512110102030830        6.3421792298396884        6.3736119956266517     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.369079860323158     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.9693936740019433       -1.9661796130013989        2.1121346467942987     
   1.1180148957419782        1.8953098535346193        1.9526568494514143     
 -0.40576979868690188        1.2771572905403519       -3.3461180680095621     
  0.54613855632481911        1.1749779106228115       0.38956760024267345     
  -6.7612330661941264E-002   2.9981263042081013E-002  -1.5162416320019936E-002
   1.7771441665934020       -2.4102949767318842       -1.0943668353385909     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.3654928260624124        4.0055082712542625        3.3317688081863190     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.2449335739835412       0.82774185413925550       0.96231798422874559     
**************************************************
     Configuration num.    666
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7291338659757790E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5160633750469046        7.6655692896545302        6.0549684260783643     
   6.9232161334279176        8.5401091254380113        6.3835640549084394     
   6.0864464584655478        7.7200885936516199        5.0041787304643188     
   5.4158604459468362        7.4988891032954319        6.6514603068379321     
   3.3119092378763466        8.1962073346927369        5.8049994008131423     
   7.5177165008186684        6.3409032186344367        6.3819036854749225     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.435037003269368     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -6.1108472772499134       -1.5729596835542281      -0.39343277021200845     
   1.3005828915073880        2.6313140650819848       0.78072008888348798     
  0.89744242947228048       -9.4121190712173494E-002  0.87560906966634866     
   2.5592238973065671       0.66046580922421794       -1.4087273341469002     
 -0.17395445176356411        3.7569225901480353E-002   1.7813582865309513E-002
   1.5277456823803628       -1.6620164858746675       0.12890143922232206     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.83881042817326634        3.5845624907198768       -1.8796980166343156     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.2605130562997724       0.73810196033088837        1.4400284519357838     
**************************************************
     Configuration num.    667
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7291338659757790E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4550413134762445        7.6625145846329934        6.0350364116830466     
   6.9888350087082696        8.5763633011595761        6.2396913608067530     
   6.3232090411148638        7.9286348890153686        4.9493857775308072     
   5.3817432002583327        7.4348956231337402        6.5888703767115189     
   3.2996942002714365        8.2067525715126379        5.8543765409273680     
   7.5203379675709154        6.3109932481761764        6.3687555170569849     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.516271018864472     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.5593862047338121       0.23313260344882614       -9.1667249049649693E-002
  0.15823499089542575       0.60841390727293054        1.4658295141196902     
 -0.43860610556523111       -1.4013297086087952       0.35873297507417801     
   2.3336222607956416        1.2088702604670785       -1.5884976690260677     
 -0.21211659205516201        3.8618976205313488E-002   4.5584853897086941E-002
  0.72113497174043317      -0.68661314965890119      -0.19097518000233873     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1549497931478871       0.30814392700812837       -1.4831543850800168     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.4667632317604067        1.9096618965492638        1.9128214026967185     
**************************************************
     Configuration num.    668
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7291338659757790E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4505290878229227        7.6791240369687976        5.9372199238848316     
   6.7649649411497297        8.7679864299129218        6.2289241937395259     
   6.2286725379829697        7.4326906897622766        4.8892864391016291     
   5.3463981067708950        7.7756529779040555        6.3548829011220134     
   3.3686118715780138        8.1477918797568432        5.8927351479206624     
   7.4928611616081318        6.3602159411987884        6.3979311034828079     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.523098367134253     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2914018296103320        2.2419186178794281       0.33523659330730576     
  0.46869409098292669       -1.8302787023051352      -0.98480163803442100     
  0.24308192884597879       0.97814334655564539      -0.11312770893931738     
   1.3681840693959981       -1.1072066154740960      -0.13337257573102834     
 -0.42097338864789374       0.15137187159329413        5.5900214511030210E-003
  0.63408166497892782      -0.43451082292507420       0.89074805469371776     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.23143296583852588       -2.0450423291381736      -0.35533364182134303     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.41577214514472799       -2.0490275419825874       0.71248436232720935     
**************************************************
     Configuration num.    669
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7291338659757790E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2552129773961838        7.6203931686398017        5.7917782171819132     
   6.7309320481335044        8.6257947180893133        5.9295837100561419     
   6.1920612393815144        7.3258743851955881        4.7338229959048865     
   5.2775523082431626        7.6916708688737145        6.1777833044667290     
   3.4515680250754865        8.1464606202983543        5.9306302729521763     
   7.4918134999989956        6.4190141840206616        6.4806044616078786     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.675224368290401     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.2760030248882539       0.49751201813011120       -1.1030315486964493     
 -0.13226618313822550      -0.60818732141569787      -0.35514761108827525     
   2.5378809755029832E-002  0.28643288220458446        9.6303294942774592E-002
  -1.4051604737377179      -0.76252496966347860        1.3028938802582364     
  -1.2838484010898119       0.38260855375251862       -7.2128523593552832E-002
 -0.47801068530081997       0.20526134696623927       0.12986933367761896     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   3.6835399218998632       -1.2372927443835326      -0.15045721912064439     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.30305963634379546      -0.44229427209574490       -1.0043259821192909     
**************************************************
     Configuration num.    670
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7164557860981946E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2488375222248909        7.6235968086807482        5.7506122099696011     
   6.5692779528526870        8.6446483646949268        5.8972724827145875     
   6.2274808890497280        7.3917250873067539        4.7431466761801833     
   5.2416017785942621        7.6201149675805331        6.1927742950022537     
   3.4685429182641196        8.1358159209508454        5.9197334449956021     
   7.4952971150637824        6.4270900539256353        6.5063499945753120     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.635146939592683     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1178318569965404       -4.1830253456651242E-002   2.1069541376608059     
  0.78629738548741557       0.46014276342935856       0.11403435704706753     
 -0.10014590712853225      -0.63138844710782593       -2.2176738913179816     
  0.10206533570886993      -0.88185857161985259       0.30772225365969796     
  -1.4033405464034230       0.43418882574048312       -6.7288164535290296E-002
 -0.50161680285515198       0.66279242443021302      -0.24351928837874579     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.8737901927580225      -0.47630005330970276        1.4508430269653378     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.66005525758594819       0.82456684042950723      -0.32946283316400748     
**************************************************
     Configuration num.    671
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7164557860981946E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5873361705333018        7.6605550589356435        5.5697265679004078     
   7.1968456555567899        8.5196978101688607        5.3004347954719400     
   6.2945183310872403        7.2261176027851146        4.5650103545095044     
   5.5433935640956173        8.0017133606328539        6.0479607737646708     
   3.0551152962949715        7.9598200020855661        6.1839291849526576     
   7.6816270306102208        6.5802933470658616        6.4072113038805600     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.790994908922585     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2626331888478148       0.92327642099319374       -1.3753349872931362     
   4.5770029844312964E-002  0.54458997962484701       0.13467544373695187     
  0.22343291581367197       -1.5988286371921862E-002  0.97046516273414363     
   1.8361449867984001      -0.99087464197248831      -0.27326333564681082     
  0.15954593217390456        6.2428172922008508E-002  -1.4463592238496433E-002
  -3.5324456131902715E-003 -0.52619942680248599       0.55853803558063531     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6063773804239330       0.16607783600008008       -1.1526528781274914     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.57071980882790252      -0.93093211105811868       0.67975264014493331     
**************************************************
     Configuration num.    672
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7164557860981946E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4906458433948595        7.6600819667616653        5.5748979456744499     
   7.1185890891000083        8.4717051188136860        5.1918129692950430     
   6.2718142134870956        7.2867021576902333        4.6096499660455867     
   5.6873756442799488        8.0440995673132676        6.1417394042882005     
   3.0272399894189488        7.9628167871725672        6.2008640076410666     
   7.7374058134896915        6.5712539147890636        6.3851626944329229     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.664891483475003     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.0011058271604290       0.55166150910542933      -0.81810802980061348     
  0.23278147338321659       0.70275631526348681       0.65593190702222159     
  -1.1081464614401990       -1.4810756781092389      -0.74395628475289932     
  -1.3046672744857364      -0.17805955667925411        1.0630573601635105     
   9.6443878309692865E-002   6.9813406386077609E-002  -9.5024446683145795E-003
 -0.91491911803283732       0.33525596733089297      -0.14889292212005564     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.34130283119646926       0.12717442960409087       0.30439757867259731     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0481300415582873        1.2631862916431496      -0.41300729240231771     
**************************************************
     Configuration num.    673
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7164557860981946E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5119612215256808        7.7908711267546442        5.5586768652525587     
   7.1050321033769324        8.6647262560899883        5.1711552704291837     
   5.8595094354746156        7.1530046020929650        5.0302613176109210     
   5.8942687314379567        7.9372973920712306        6.3772841751241929     
   3.0689046524543127        7.9732202473775065        6.1826158674544720     
   7.7132250220471645        6.5218976374339945        6.3372059352543175     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.564561812009515     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.4947001896732841      -0.72571087370892706       0.57975690935602875     
 -0.79950016345055863       -1.0170715081619806        4.8304759943016126E-002
 -0.44103288145850722      -0.39139880871855770       -1.9520686703803409     
  -1.1625965402990128        1.3780403893775452        1.9524195208415345     
  0.13782515527674999        9.1516712471818758E-003  -3.6162104902599801E-002
 -0.23004312014459988       0.74687935382810633      -0.59144054770827981     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.47275176307182371       -1.8082898572944233        1.3928836921955305     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.23312574015086873        2.1297621725058673      -0.46612928500572259     
**************************************************
     Configuration num.    674
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.7164557860981946E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5810204172811924        7.7514412589011554        5.6565770046892956     
   7.1086624427887202        8.5817224401525110        5.1450871615583180     
   5.7588673831257262        7.2674483707972604        5.0296662683585955     
   5.7835599714752339        8.0552524713642661        6.4502591444778075     
   3.1210501147927956        7.9877297907877036        6.1819263739395591     
   7.6611193840219913        6.5038908445540438        6.2995030270064358     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.760134260776567     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.1788995027306202       -7.1924015322450269E-002  0.37755218394689605     
 -0.15637650119773414      -0.42678996858118950       0.35099918890986831     
   1.3298253844893781       0.32100580878129675       -8.3990947895245027E-002
   1.5953970006298692       0.16101882331808942      -0.62489024699125584     
  0.11367141134278400        1.7420078551549503E-002  -9.0577760836215125E-003
  0.29493374385414561       -1.4821379113942182E-003  -1.1174221120102086E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.5835028012131755      -0.92190933583342793       -1.1146448647227236     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.57550975265902871       0.13561099296204918       0.69990555200500404     
**************************************************
     Configuration num.    675
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6921360727529780E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1887748218437491        7.7990954553512530        6.0440540052936695     
   6.2576645186806337        8.7627599109911305        5.5990001860220380     
   5.3358482561268961        7.3056541056906532        5.5391479171494176     
   6.1303742570724493        7.8266749299772327        7.1950595296908642     
   3.3372556557809059        8.0155494916855297        6.0131400841509022     
   7.6824134314703478        6.4609796926946030        6.1442894722648775     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.382332980275574     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.31670057194586893       -2.3030067998680521        2.6667065720224508     
   1.2770709492851171        1.0203278277319359      -0.55598389829785688     
  0.48282288654421684      -0.30173556462851947       0.55792983275853492     
 -0.57958041935060767       0.28026910839440872       -1.9258775137484678     
 -0.53421799178348128       0.23267291596223524       -3.6245284820661606E-003
 -0.33059344630980220        1.0716623068697897      -0.73829590222577612     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.48197614161162744      -0.75704768956330004       -2.6864410090686333     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.2120962819277965       0.11436548794228822       -1.3821025993296459     
**************************************************
     Configuration num.    676
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6921360727529780E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2490413903015156        7.6212172865501264        6.1270688122086492     
   6.1331158642764825        8.5761341463429765        5.5982326269894003     
   5.4241155725913304        7.1293057361103216        5.6099921691950261     
   6.0253298187627218        7.9974599608754424        7.1612673100468340     
   3.3858469960809767        7.9253169835056685        6.0189378723197304     
   7.6293497292051775        6.6331587526131406        6.1062735716843655     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.446758630795557     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2018336520709463        1.7514940451878438       0.68735897817438030     
   1.4115966341446815       0.30449227909214344      -0.64896047082834263     
 -0.33512312822049367      -0.55243767524209397       0.82490365194287452     
 -0.19403554608307300       -1.0482207895856248      -0.53831978645182410     
 -0.82959797646306799       0.23355982171755313       -4.7562348689106963E-002
   2.1483961750267131      -0.68575196267783567      -0.27613978264203803     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.8101411567086467       0.32520823855483577       -1.1244148302477659     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.87914338909256029      -0.89029976651218434      -0.67277627999593237     
**************************************************
     Configuration num.    677
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6921360727529780E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2885851805968658        7.2315232060667443        6.1399864740970553     
   5.7665991701926647        7.9441169367918940        5.4933485850677570     
   5.5968828718437225        6.4247973617589063        6.1994940209389764     
   6.0749752021638068        7.9071002433162896        6.9936445315482629     
   3.1312153935018072        8.0493756947933690        6.2577956650130009     
   7.8868430241794538        6.8021121081895384        5.8272743477374078     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.629552036822815     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.7023172506869493        2.3019510737532167       0.84514479922727337     
  0.42360976509502407      -0.19845042949327957       -1.3822828645296861     
 -0.42330659663489978       -1.0695333206078304       0.18001061207008112     
  0.81249992231142787      -0.74566273614997058       0.72886531836912216     
   1.3467010230289303E-002   3.6294733402163673E-002   9.6815649347012315E-003
   1.8769729885151292      -0.32516742847742086      -0.37975822193860459     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.3707753704444952      -0.17899226579036556       0.97443793830339798     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.35381757732330887      -0.42478713700918225      -0.18417975358127819     
**************************************************
     Configuration num.    678
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6921360727529780E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1762101166151302        6.9234729409995239        6.4916973712387129     
   5.8040096183074326        7.8508849285586439        6.0586991700813222     
   5.2806464249019074        6.1978551557417774        6.3524064623580347     
   6.3795711804421122        7.0248362869485819        7.5801408282987914     
   3.1229394003506750        8.1279044276413384        5.9115783656506391     
   7.9302826699320272        6.9636122703911996        5.9071266884700018     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.500132797401875     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.63389138560013603       0.64681350583310893        1.0791858777301018     
 -0.35776167948359494       0.19322158879852624       0.27837183161846285     
   2.0023550504763419       0.15467830969583093      -0.55938787429626302     
 -0.59993336848970558       0.10410050747667260      -0.41990855160885554     
   2.8797585309548325E-002  -4.9746632845943523E-002   3.8837153185929743E-002
 -0.43842389087830680       -1.0487654498813783      -0.41453539952461249     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.6841412050415236      -0.55127333579540394      -0.79377306690998450     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6852220333916907       0.60236009412002933      -0.49087280642835568     
**************************************************
     Configuration num.    679
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6921360727529780E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1423131412517451        6.9980470430285333        6.5402117237781869     
   5.3297928441147029        7.7607744501445790        6.2091361071847286     
   6.0114267477924361        6.0740657174562376        6.1814652972795079     
   6.4528453099212939        6.9468798806387868        7.5650573650923105     
   3.1496810775432516        8.1174327674658322        5.9278161287997015     
   7.8778107543500804        6.9817480422798770        5.8784681111832020     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.423183756655586     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.0020632848366293        3.0688009251867463       0.30737586203368389     
   1.1848038334018860      -0.68255234930583208       0.26315837879583515     
  -1.9086686206128289       -3.6656780380854372       -1.0131575558714121     
 -0.77223006083381041       0.24238350916748158        1.0333182212541083     
  -1.4025117397663879E-002   5.6678186501323044E-002   8.9443133146582532E-003
  0.50482682748880614       0.98142779216281195      -0.59944831650143315     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.22799960169562417        2.1216262988572785        1.0374772715506835     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.4711736644047200        1.0086806609691084      -0.76000504369994548     
**************************************************
     Configuration num.    680
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6844877008982119E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1564075338424793        6.9725822613960613        6.5034132507356146     
   5.2620653159550717        7.5503410352046476        6.2843781403141579     
   5.9326530695223525        5.9002033182873008        6.0477759042962465     
   6.3382728474881977        6.8804601365214895        7.5892243670313420     
   3.1745435649428440        8.1416911602878628        5.9200987940467495     
   7.8776290253078569        7.0169689523403180        5.9025199702746738     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.510982890221154     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.75202301574605723       -4.3521296138212175       0.16918735414584057     
  -4.8249593304612336E-002   1.4820220340356713      -0.88396228196257165     
 -0.19864189910076624        1.8101411358585262        1.3144745620211105     
 -0.47759803244754717       -5.7068564801538747E-002 -0.19027571464593945     
  -7.8772593909097466E-002   1.5791860090285461E-002   3.3414634222740935E-002
   4.7269291495381338E-002   1.1025058624331985      -0.44121219777058862     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   6.9514541543633693E-002  -1.4549967589189154      -0.87151447788445369     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.13725359179846461       -1.7324247948873974      -0.36687930506248911     
**************************************************
     Configuration num.    681
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6844877008982119E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1839775279845899        6.8773190966568105        6.5019248120260764     
   5.2258857030514250        7.5594172990779542        6.2163511800697764     
   5.9120220196895463        5.9813963292042978        6.0994846722133724     
   6.1169567946023218        6.7774380725747490        7.5889085052592060     
   3.2034778422773802        8.1498964732944792        5.8976739023365994     
   7.8707341709515868        7.0424763583788863        5.9273258693392856     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.616350267240705     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.5472668363668700        2.3244504228905445       0.80963483495552913     
   2.0033872207338552      -0.20545791754300116       -6.8681298701273777E-002
 -0.92105575271597706       -2.8761604519013737       -1.0884475834468663     
  0.52558893925545158       0.10096844446434461       0.24408886363321119     
  -4.5082652269445349E-002   7.4819196351700512E-003   2.2413342400086765E-002
  -1.8603029496292001E-002  0.65024198758512319        8.2802500495354162E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.7087167377225176        1.7990494853362036        6.2625341607381604E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.9162162256335573       0.86666940826906858       0.37593209891407031     
**************************************************
     Configuration num.    682
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6844877008982119E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0992576034048120        6.7733618050899214        6.4766144289663341     
   5.6569939060298466        7.6899633651369452        5.9173135061780782     
   5.9123621793994401        5.7623148341460224        6.0511518253610754     
   6.1140402012446859        6.6541446298063347        7.5953455547999349     
   3.2250120855692841        8.1987692876013849        5.9231329578619096     
   7.8295526181740236        7.0527225612519242        5.9489075972665377     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.665097120616792     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.69578940190701455       0.42851923321995694      -0.86649605391514595     
 -0.57112231733910879       -1.8333241056234246        1.6103647387850901     
 -0.57683083247190048       0.74081105195796515       -1.5110638303384549E-002
 -0.35755444028758171       0.75820695359890711      -0.90161370274624120     
  -7.1006435905682480E-002   7.0155786344963791E-002  -3.6377674864159965E-002
  0.88174490243549974      -0.16432398863723696       0.21158267549899931     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7120988315840806       -2.7976421928076149       -2.3674400952965509     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.22058682335397423        1.4766142634799608      -0.23486700029147944     
**************************************************
     Configuration num.    683
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6844877008982119E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9243584643979164        7.0719742232831742        6.1934678205732521     
   5.2468328666164110        7.8153147943200629        6.5147194276051845     
   5.7640563293074312        6.9846615892875272        5.1425544248378596     
   5.6306233972165662        6.0976688600009750        6.5862718887159950     
   3.3565567562031271        8.1430954782715688        5.4585918193560046     
   7.8748124022477128        6.9179604860868791        6.6583344857549358     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.500955823934191     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5083098040289440       -2.6497321344802565       0.26068661809452537     
  -8.0753568511714086E-002   1.8233757820483780        1.1258442982578727     
  0.70662966870686350       0.22402812534093139       -1.1991017836049171     
 -0.20628058119612977       -6.1408848114302909E-002  0.32548431539600231     
 -0.41218730521570962        4.6187809277942152E-002 -0.10134829657963472     
  -1.5179435087738997       0.61725874981261519      -0.41337596866775278     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.9802492803142364       0.69189669824916278       0.95323403980846455     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.11083060041866519       0.53590335055776050       -1.1577751606625915     
**************************************************
     Configuration num.    684
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6844877008982119E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1698406625296620        6.9368468325033605        6.2278961032933156     
   5.4431306438105453        7.8197578871196578        6.4658075284025998     
   6.2296323862924199        6.4276650403500808        5.1879347366238431     
   5.7205123226489132        6.1278918130343136        6.9540054191425416     
   3.1433705747244018        8.2565881327760255        5.2653219745116893     
   7.9200145564168629        6.9091793398630843        6.7988492499067670     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.535513247253220     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3956981203342460       -2.4341164223373437        1.0905338761693122     
   1.5917192576396371      -0.70987899492353967       -1.1613129841912029     
 -0.56255472361658432        1.4403882913585440        1.4366549113115108     
  0.54914996721143505        1.0625822628240078       -1.3962778676766230     
  0.12151587272154345       -2.7890519607785415E-002  0.10334517217186519     
 -0.30375613767745197       0.66804002051670108       -7.1745136638917545E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.3913343947275600       -2.6053128672823163       -3.1906733709181117     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3071224574793445      -0.44296059401554760       0.97724048936838703     
**************************************************
     Configuration num.    685
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6735074818853554E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1859033250351718        6.8661633847318342        6.4186704293659336     
   5.4805258119730151        7.7186390310605342        6.4001252331146494     
   5.9558296617984547        6.3074366919248614        5.4706741998974939     
   5.6568444780777289        6.0894336529027946        7.1487561522094989     
   3.1371436501347536        8.2553807804022021        5.3026982799390998     
   7.9546558031867791        6.9636459467329193        6.6503787624730730     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.689331547057236     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4054036555421416       -3.0809238325188097       0.16088007350100103     
  0.79824842655899719       0.60841412605845746        6.6730469095125214E-002
  0.59487807197055365       0.69194263958072511       0.23766321228917633     
   1.4209182787662651        1.4987636225178629      -0.65872998363265256     
  0.12982895416911455       -4.6574555971967954E-002   7.6809899273588264E-002
 -0.53788702094860374       0.32714130294331079       0.11721432894173500     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.8635729251078175       -1.5027025311405047       -1.2131343026471992     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.57356846503855197       0.51133570187062327       0.17196885052907038     
**************************************************
     Configuration num.    686
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6735074818853554E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0090873638554863        6.7916318312889761        6.4655193032872642     
   5.6405052402955151        7.8808140689688111        6.5440294224025903     
   5.6658238013713396        6.0247364789736082        5.7171962169990271     
   6.0511729696633418        6.2496594644660108        7.5000693893902479     
   3.2125544496412934        8.2800442537685672        5.2943522466356949     
   7.9093278816258357        6.9597535207340906        6.5591659545232703     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.450703282969922     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2010906227978984      -0.34444669402270361        2.8151864452024560     
  -5.6127766476153404E-002  -1.9598754036423711      -0.68922620392407108     
  0.36547533833250645        1.3433490171617328       0.15512197676566289     
  -1.2228971665752200       0.99836194908319464       -1.5032125859418999     
   5.4852745903457983E-002  -1.4400984436439196E-002   5.4476871140329744E-002
 -0.34093557489513737       -2.5223261691492395E-002 -0.83349642951955549     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.1089588351076938       -3.9621701962624396       -2.2286131994107476     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.31293451242328763      -0.10463876103840027       -1.5123125293614090     
**************************************************
     Configuration num.    687
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6735074818853554E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9974687374754714        6.8898007657178670        6.4605652402162086     
   5.5567949454442562        7.8057762376729194        6.5720423490416540     
   5.6448426980421456        6.1145108502227696        5.8323076957659463     
   5.9223877271723557        6.3608156237845392        7.3196366455096138     
   3.2701778464054039        8.2673829544424748        5.3459805970966086     
   7.8819828219315378        6.9249526061851174        6.5134253034233414     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.326843827997436     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8789229993598218       -1.5859109619056162      -0.36995870827260896     
  -1.1172185434330286        2.5495031584306918      -0.64837112042076284     
 -0.29630752946743877        5.9880417090179938E-002  -2.0526290715882558     
 -0.73367537778817549       -1.2999620881725997        3.6070635864051237     
  -4.9195211017243140E-002   3.1978716310512431E-003   5.2914250479846901E-002
 -0.68449560377348950       0.27349478937838484      -0.58864840728553380     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.74175204198722255        2.1733266488516918        3.3226921526159696     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.45626045343820998      -0.78666317237881866      -0.51158525223163542     
**************************************************
     Configuration num.    688
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6735074818853554E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9892074647920017        6.9223050721337653        6.5049449251105678     
   5.5044181238303711        7.8560297380857493        6.5566691068768490     
   5.6848167208566096        6.6484444538552898        5.5571845202916306     
   5.9552632812024413        6.5361259613229823        7.5040356320523749     
   3.3465459879964139        8.2270856835929358        5.4716333708273206     
   7.8061036410851363        6.8685472287200833        6.3847077771785754     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.364672265729947     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.0071373952615303       0.62199026632022625        1.5371193024511136     
   4.5530994546415349E-002   2.2206037078778325       0.14205590725979012     
  -1.2763438723193916       -2.0800558418795809       -1.4808021426450124     
  -1.3146801194046953       -1.4690321580472130        8.6386141996273064E-002
 -0.14570298205784837        5.7235552589112157E-002  -3.0648964911119920E-002
  0.68394893289435987       0.64849156465972524      -0.25316852462187495     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6250226773492835        2.4425614562687694       0.86634333398930363     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.62617510250645214       0.43938005552378590       -3.1360774759452550E-002
**************************************************
     Configuration num.    689
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6735074818853554E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8733887841113406        6.9496387482129522        6.5696692419746663     
   5.6944789762668124        8.0384850533408798        6.6682514476816426     
   5.5920916957811651        6.5146761354530467        5.6201535896041364     
   5.3977474979206601        6.1804057687891962        7.1335129749947503     
   3.3861825605024460        8.2688953725512029        5.5593714396383342     
   7.8576248830754398        6.8521184101912969        6.2971525199182450     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.407948670419042     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3750670549372579       0.56214903295289698       -2.0114139352782061     
 -0.22214027530488742      -0.93655812689459472       0.14045719839106399     
  -4.6162683121831034E-002  0.91583903971852387      -0.99334035069392035     
  0.24743677105069226      -0.26855728459681527        2.0790519553049824     
 -0.15536772267664536        1.0083804933421108E-002   3.1496985796708635E-002
  -1.1978460684476555      -0.28487578740353514       0.75179040443037792     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1312289311908650       -1.6195083902365144        1.1879127882884477     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.46195271848500441      -0.96178145683514271       0.60015526509674766     
**************************************************
     Configuration num.    690
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6211470445821285E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9159055495547843        6.8439491865530178        6.2348163586161718     
   5.5887999805357236        7.9021656793543249        6.4598001554974456     
   5.3903132428168572        6.7693823949954481        5.2989625255966128     
   5.6803395760932283        6.3469791908188489        7.1626898807072807     
   3.4761768587309865        8.2538058895606294        5.7130455136417293     
   7.7560319221766072        6.8708633269887516        6.3133873332850472     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.546617901287391     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.69969747172030394        2.7844233793408777        1.7043962647104220     
  0.58121940861218202      -0.65137847994739972       -8.0172223285067512E-002
  0.15394920101760856       -1.1618679237451857      -0.67793428823412671     
 -0.71382922506313284      -0.99376127566245676      -0.21669175905667240     
 -0.71208124246275639       0.27670962770391505      -0.14404541337490073     
  -8.9042736082503987E-003 -0.25386075302620398      -0.58437802349789902     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.2453460047477527      -0.27102753361058668      -0.14240908512521999     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -4.6494438148463234E-002 -0.13719569523628844      -0.28488150756349673     
**************************************************
     Configuration num.    691
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6211470445821285E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9731963716930556        7.6326436816606442        5.9647149864101223     
   5.5625719626575192        7.7182349449831014        6.9208472221992121     
   6.5480107638759240        8.4033510545885068        5.5233167869990014     
   5.5968624495525363        6.7017178523229148        5.4890689598272839     
   3.3356094935390179        7.9423797732550625        5.5743125292673694     
   7.7589497352498711        6.7114656504519230        6.6551233344046841     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.470677494904066     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.71832494618943388       -3.1677738589646234        1.6946441481776334E-002
 -0.67355312506139708       0.71614567523234141        1.2856617566584232     
 -0.27245518958717785       0.92515704161361489      -0.87896415339341127     
  0.34081810835238541        1.2179378609847764      -0.28243555223598404     
  -2.8239340933397222E-002  0.20499109015596800      -0.11295454984251500     
  -8.5523096151948086E-002  0.10383798979250504       -3.0355637836848692E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.24689813423768048      -0.90458042006804396        1.0809881184896664     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.46982362208707873      -0.28284897183930552      -0.67541777401551328     
**************************************************
     Configuration num.    692
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6211470445821285E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2585784172866017        7.8375517715751970        5.8964129081166536     
   5.7461673114478238        8.3077491863622317        6.7386939864570996     
   6.9789742338685592        8.5155436812308167        5.4030580725321862     
   5.5331226196114889        7.0729336049642990        5.2598224811838774     
   3.3298959181688006        7.8382527751747970        5.5489729538645083     
   7.6058333186591343        6.6251195841761472        6.7635873274250162     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.464776017922759     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.15931035873787519       -2.7009973663087408      -0.58651760372178841     
 -0.14063058684352320      -0.23855197216264878      -0.13056652070095040     
 -0.61810612924294417      -0.19321074770300303      -0.31546479133470051     
   1.7980058766092295        2.3310534618955154        1.5787651491533021     
 -0.40813994784648155        7.6144161172048100E-002 -0.13716762272700225     
 -0.78875339398967037       0.72697391478327744      -0.41016485228211846     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6529836358521726       -3.2047754355631071       -1.6837909251096694     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.81647811728512709      -0.90055816319357118       -1.3921439497847032     
**************************************************
     Configuration num.    693
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6211470445821285E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2491799223058502        7.7795724416703793        5.9295974603403332     
   5.6438927882207794        8.1263298345198010        6.7668980623583721     
   7.0970359560807221        8.3612640799563174        5.5172780760473659     
   5.5871641563172503        7.3714877251772135        5.2990688634168883     
   3.3428377769156570        7.7925833621462264        5.5873440895064954     
   7.5881970865292168        6.6946224968550352        6.6934766632986555     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.314527540087511     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   4.3064111875200979        1.5598290265775503        2.8569097174090974     
  0.34556562119738210       0.56317220872075491        5.6466531712314222E-002
  -1.5101446529096583        1.0275320705975197      -0.26750851555663746     
  -2.0760828679105527       -2.3225086172545346       -2.7132635960799671     
 -0.57913725370111513        9.1753513952064755E-002 -0.10841834216194422     
 -0.48547498249567339      -0.91954497735537122       0.17468639925596363     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.55605716326240084        1.9905728707992798        1.3273234722569309     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.56277995207003018       0.71204865585505783        1.8746546753525786     
**************************************************
     Configuration num.    694
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6211470445821285E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0733943693136334        6.7403431138958130        5.7329078891560901     
   5.7910349530272018        5.7223587435721361        5.9868229131072708     
   5.3386755130066650        7.3391897009006160        6.2152995671109696     
   6.5222794545768794        6.8345402342632724        4.8228973658844323     
   3.3247976935309227        8.6647303739417723        5.6828986056688588     
   7.7420725631675840        6.6216788049356667        6.7275399245422340     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.522415967953975     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.2133333069873886       -2.4017450809353300        3.6317379200386304     
 -0.39993236583943670      -0.48987396254062388      -0.70289430382455476     
 -0.45000333646319318        1.6951814452209297       -4.9143881712950317E-002
  0.27397964001252884       0.78193716603014629       -2.8349797374511185     
   2.2449790326898839E-002  -6.7460654450918395E-002   1.7083936186088236E-002
 -0.65871578293621380       0.47965144201957538       -6.2445343730324454E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.84314083615852320       0.74889186430806876        1.5746758995979726     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.27177107051092853       0.43086946211963512       -1.1345585039244930     
**************************************************
     Configuration num.    695
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5948309406068753E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1853882542775320        6.5553973627225917        5.9654089498076521     
   5.6214471140964877        5.5878901441031710        6.1837957073177474     
   5.5256117877447055        7.4421643014640511        6.0638438602536224     
   6.3108478227939599        6.6002871912871273        4.7484232799131698     
   3.3884237940955328        8.6652776707631887        5.4832662894974371     
   7.6624019595031232        6.7137716678995609        6.8516710914452341     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.728931455684460     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7906844944330618      -0.38539871827050953       -3.5279080537586291     
  0.73103158818242864        1.1147570937029623        3.8000184546736035E-003
 -0.11365608809641491      -0.23436610064620145       0.55429981588103461     
  0.30447843854406575      -0.39962447842593551        2.6314182618068331     
   8.1319140105588272E-002  -3.0199871121442207E-002   1.1267150180355276E-003
  0.78527685063604835       -6.5680546091331060E-002  0.33665984004093508     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.26544442117800193       -1.7756816446811219       -3.1237270894935456     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.44923850333111076       0.61160045609426761       0.40211455244970673     
**************************************************
     Configuration num.    696
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5948309406068753E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0864646112230272        6.3171996701633981        5.9887424037873203     
   5.6139773318615260        5.6695439451447127        6.5870667915273966     
   5.2316299036403677        6.9946403270940545        5.8733713896776045     
   6.3951478953432686        5.8601140103426390        4.9599340967463537     
   3.5185399547219669        8.6078260723915054        5.5313865240336044     
   7.5903000219858026        6.9767112617136604        6.7477729019372088     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.611657160724913     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.8658824728836010        1.4310885444033652       -3.7889072336389185     
 -0.95702407073420859       -3.4004202097921086        2.6583279052175861     
  0.39648764366976663        1.4632028280508311      -0.49649271432443759     
 -0.58838700962934509       0.66366432751523408        1.7474398579726191     
  -3.9568716639349064E-002  -6.1804592066487453E-002   5.1819013220902590E-003
 -0.67803830551314614       -9.3660298199205613E-002 -0.12368767919386668     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2551195665766999        1.9133509491212657      -0.74987073079339994     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.57133842626125919       -2.6822665120698463      -0.47785458046117596     
**************************************************
     Configuration num.    697
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5948309406068753E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1091675043786022        6.2810333559550440        5.9803728963559166     
   5.5873276548360948        5.6312015517349989        6.8354339155445913     
   5.2343631119114820        6.9862176153748266        5.9009819538443526     
   6.5039802604631065        5.9689661160577954        4.9966657227644671     
   3.5425909401309315        8.5968463105377211        5.5266103023877200     
   7.5489769288524213        6.9929386922446142        6.7201030371292072     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.567794322810187     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8887370114303861      -0.27264701737210317        1.7546551805587853     
   1.5258113491105525        3.8623527453555011E-002  -2.1535494977471563     
  0.83180781687958361       0.58589451259777725      -0.54942937289833615     
 -0.86328437523596846      -0.82730154641778453       0.46695926719841219     
  -1.8209177241990157E-002  -6.3886162061045970E-002   1.4292921901305700E-002
  0.41254015571049696       0.53983994370860611       0.46717602917434958     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.4408325985855004       0.29180810213421626       -2.2729009792175461     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.12076034531809383        1.1416160812369505        2.2056155672661135     
**************************************************
     Configuration num.    698
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5948309406068753E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0979399352538968        6.3167339820344903        5.9353104220810495     
   5.5551620342227270        5.6424041966492116        6.4807966140422693     
   5.4221101095332900        7.0208947834678845        5.4980056390721499     
   6.4098358639905175        5.8834068449879586        4.9492923045526291     
   3.5656731389639802        8.5846225487456405        5.6343792568427542     
   7.5227668257690530        6.9975444136003366        6.7184236524273908     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.680181700300633     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.6771203327566901       0.62272152010779480       -3.4566180865695344     
  -1.0819056273399621       -1.8461140493262844        1.8824217346347387     
 -0.81003591378980688        1.6762465024011359       0.63109155377606763     
  0.38154474223002033      -0.52115050528705320       0.78661966951580697     
  -7.6453487616883087E-002   2.0050306078904141E-002  -8.3739184199224770E-002
  -9.0099312386796249E-002   4.8564194184433765E-002  0.24254093387743500     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.84962862008471951        1.9496488285207487      -0.35606225176241035     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.21270456652658687       -1.0864948814747666      -0.61186397970197437     
**************************************************
     Configuration num.    699
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5948309406068753E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9604791291187498        6.2694293641724688        5.7579630143560045     
   5.4491936878962983        5.5687733870644944        6.4345117114886090     
   5.3396862894534163        7.1576132193256763        5.6324482060784922     
   6.5808801643369588        5.6747441993812675        5.0036523853143731     
   3.5997027119800404        8.5752855637449859        5.6626186758744277     
   7.5372644072033568        7.0393321317540449        6.7341875260177186     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.611958047126109     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.7537285236504445      -0.81691908956160808       0.87787787958636343     
  0.28772848765674786        9.2268869849009186E-002  0.20115702397812335     
 -0.32090404757721525       0.40701039460079047      -0.88858336067108057     
  -1.3118480280784852        1.0993814345552000       0.34819982252596904     
  -5.1036075284532960E-002   1.6444694910537658E-002  -2.9943357392212662E-002
  -1.3582472398507364      -0.79745900239807910      -0.51052911941291845     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.8747396330167598       -1.4208762207619299      -0.98735389938702856     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.80957045171089193       -1.4653825266301337      -0.10936440222907902     
**************************************************
     Configuration num.    700
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5730497985763138E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9723265351239530        6.3089696010931977        5.7673072268066115     
   5.5336960271645461        5.5701077121798681        6.4541884668569534     
   5.2821034220393912        7.2247387032238803        5.5949653792638196     
   6.3038374721341759        5.6723235903650053        4.9569035110470452     
   3.8523942336701644        8.5072800625793192        5.7701122340818181     
   7.3087794036602380        7.0864910307804276        6.6308117137587841     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.733054708331792     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.77701281148835677       0.25677615549625077       0.64805630510127177     
 -0.30874353299895541       0.34397982704239477       0.28554179533644330     
  0.15647339920908182       -1.3985515288007822      -0.32631963584338297     
  0.51239056275430928       0.28942555073957998      -0.83663452173388309     
 -0.55431180270500868       0.58995872380519110       -1.9503578826403026E-002
  0.97126654303866122       -8.1601713908622114E-002  0.24929461680743362     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.1308053855820042      -0.97246446519625851       0.53175417115763257     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.38136854637520573       0.16759341415543522       0.16656691704227281     
**************************************************
     Configuration num.    701
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5730497985763138E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9551702661071841        6.2507592669122642        5.8031035230155306     
   5.2939945568605147        5.5360423078924228        6.4038175678427667     
   5.2807109753882076        7.0129015027582309        5.4796454814554769     
   6.4304991049356133        5.8321855295787595        4.8743976746287148     
   3.8946410233589650        8.4891527322565370        5.8175514651979681     
   7.2852557991398434        7.1340468152821126        6.5992480705815426     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.644661052642959     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.42341670963305222       -1.4136861774439606      -0.81455965131978136     
   1.4466485889887266       0.60729645120057518      -0.29476233723286671     
 -0.82451659736756655       0.97030918617253403      -0.23616576619490115     
 -0.44339265855198096      -0.35929594694837941       0.82203598188494587     
 -0.59616262629325267       0.55181578534059617       -2.8640380675039087E-002
  -7.0456722381465322E-003 -0.35660446533721840       0.55436857619546420     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.20211633399411222       0.73715352803277967      -0.90873955692905850     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5825865045399770       0.10971790374001886        1.4008392885822769     
**************************************************
     Configuration num.    702
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5730497985763138E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0236200467307048        6.2177369234918354        5.8098285030742733     
   5.2516509432403229        5.6983567315461388        6.3366035232493525     
   5.2127305475285350        6.8890075246228042        5.3657392542334623     
   6.3995719511234128        5.8407110009226546        4.9232948350182646     
   3.9070946373093896        8.4945963967925699        5.8297610055232818     
   7.2655490462759014        7.1344939836621686        6.5996783268945354     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.262153329992312     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.1916562813223868        1.9088329151651180      -0.86334341261318825     
  0.41209224940529354       -1.2970465075980204        1.3043283008462667     
  0.96372416950955331       0.76411864964142862       0.48802886598194578     
   1.1223154991174358       -1.8443072974392523       -1.5260317888302417     
 -0.49590922024914086       0.36835233073289148       -5.1612997952404101E-002
  0.18915145248024340       0.10167148186161218       0.64977965113687886     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.19461731148489800        2.0622965117511929        1.6105671955357463     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.85528869976999544       0.65797766985524198      -0.98035708287579404     
**************************************************
     Configuration num.    703
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5730497985763138E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0031662938400912        6.2570476198538305        5.7599370830006862     
   5.3819101359274368        5.6369759478878212        6.4753539274995715     
   5.4134092592630623        7.1026231893165566        5.4993914835949473     
   6.4183091877431364        5.6562245841521506        4.8550907775677343     
   3.9052127758485127        8.5110347521830203        5.8013181580824984     
   7.2349081159223676        7.1083764859970540        6.6219849247050799     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.625192062405855     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -5.5841415680050882E-003  -2.2720137169935226      -0.62839856582798936     
  0.73671901568745057       0.30137502002992667      -0.75073053091760311     
  -1.4211538265193113       0.55990798083422000      -0.99895114536084406     
 -0.53918733524943452       0.78531327987265875        1.4532629024615868     
 -0.45964739967052493       0.46283674750247106       -1.0507667715282996E-002
   1.6901025322501195       0.16426512476051702       0.93587694813455313     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6091352317652428       0.39135475898722633       -1.2351482131943181     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.84360562034234587      -0.42580018229607425        2.5947975436240931     
**************************************************
     Configuration num.    704
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.5730497985763138E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9592808464194666        6.2375817283941819        5.7101921148301189     
   5.4147660359884062        5.6796122316057280        6.4407622245409497     
   5.4409948295781607        7.2811494806883159        5.5176623025970608     
   6.3958715733283791        5.6271755059351243        4.9341765443413674     
   3.8911612033236760        8.5123778278530189        5.7958363368551300     
   7.2595396868993483        7.0919529047233327        6.6372381977539616     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.524585716944785     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.17263369663977202        2.7650681651523401       0.31772476111462633     
 -0.60766854431948625      -0.56134393141037697       0.42900250108267424     
 -0.47949873563151540       -2.1445358422953937      -0.70217796262652432     
  0.18545580092553943      -0.11505040111218874      -0.50642329758556137     
 -0.39006243799442097       0.49892557044025082       -4.0567190087789770E-003
   1.1165447448037227      -0.44100246142233618       0.46490565737685441     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.3568591790638549       -1.5437705079122421       0.64609355799757551     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.18844986836385230      -0.24461879267533040       0.46393727274843033     
**************************************************
     Configuration num.    705
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6739605954386155E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9475560005123311        6.3958383272381401        5.7560211802580028     
   5.3370524608163228        5.7261347471004100        6.4182028563108764     
   5.2437533794617126        7.1170168166168475        5.3364010185353905     
   6.3613386829963527        5.7637805447821400        4.9166496822840378     
   3.8846387657550361        8.4686249970366525        5.7703999204494467     
   7.3049524521320182        7.0799474197470813        6.6721219712956268     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.708494824934178     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.23580445839754469       -2.4589611813039900      -0.64280809503374214     
  0.55420355247439979       0.45042782581874596      -0.24364052368125103     
  0.15080633437741567       0.74409740526700385       0.20627819412724613     
  -2.5089899480976677E-002  0.31018250268537911       0.68089640382560712     
 -0.91178523703881231       0.81412837025246665       -1.1113281472170746E-002
  -4.8735014714959141E-003  0.13793322539722200        6.4733745491419442E-003
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.95837066598831300        1.1626615865274712       -1.2697204928296468     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9637538618191703      -0.11224804073930346       0.27143819443393402     
**************************************************
     Configuration num.    706
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.6739605954386155E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9661757548112977        6.4245972985273569        5.7834540472992604     
   5.3357435629809702        5.7807997775063784        6.3954479221521732     
   5.1105361827739273        7.1132673503792372        5.2381384795063157     
   6.3573235573520437        5.8247481860844186        4.9250907404492859     
   3.8738034368903840        8.4543346610437595        5.7581557375634684     
   7.3251106312994638        7.0718713318537780        6.6877737499861221     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.348620936421867     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4855916481164821      -0.72051426428612664       -2.7641632693292619     
  0.18084194282766358      -0.21815280664562967       0.48589719991522123     
   2.1148608064429064      -0.21528060868234625        1.6777530677618739     
  0.24531624804000771       -8.8552161650482325E-002  0.58572957407373971     
  -1.0258351002685222       0.84208279791395912       -7.2365486200504245E-002
  -3.0563922206975208E-002  0.39989476698992066        8.5621374589470389E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -7.9253146312993988E-002   1.3595441426340915       -1.4768277612360203     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.82992613531513904       0.38076480967054788       -1.1625341187880311     
**************************************************
     Configuration num.    707
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9132055677824767E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9157239379694788        6.4528656118890275        5.7060213759779455     
   5.2808384984401435        5.8664480567037263        6.4203995207910047     
   5.1754779298390385        7.1276705626499819        5.3571163120720211     
   6.3763280135140485        5.8076800098549040        4.9820530423076175     
   3.8901467860017656        8.4152193440106053        5.7225986767586772     
   7.3225831008026407        7.0920470958803774        6.7268982629949248     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.428280415098701     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.1468493990447237       -2.3787336971785678        2.0991042037733569     
  0.69408779471623006       -2.4291807017804062E-002 -0.30011869764955157     
  -8.2474141281028368E-002   1.7636875520457964      -0.68988068531102176     
  0.34439095866327224      -0.54008331663838394      -0.57010996563066130     
  -1.3602668902669224        1.1576354890706289        5.0921855478993645E-002
 -0.74045745123280926        2.2634098879054446E-002 -0.58717325039764678     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0218128115755905        3.0023346499903409      -0.69028476924771287     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -3.5210285651102606      -0.17323974024386291      -0.48374944492048200     
**************************************************
     Configuration num.    708
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   3.9132055677824767E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.9651255087262021        6.3823438601932931        5.7096635690513731     
   5.2831539004025228        5.9047832138367431        6.3792802552204284     
   5.1443568408166973        7.1646727601412810        5.3586743565267403     
   6.6032686579245299        5.7467613012111389        5.0532344936979392     
   3.8879227576829987        8.4121837913774744        5.7095434340775508     
   7.2857158788531331        7.1173476804063052        6.7351520135004153     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.415379413370601     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.65843150478196533       0.52627191047170807      -0.62524181906961773     
  -7.7384426599862804E-002  -1.3137549932163959       0.79655211397799075     
   1.7930760107383841      -0.33439353942554090      -0.26992610096490643     
  -1.0332310492967440        2.4499621206239976E-002   3.1039201347752145E-002
  -1.0492817728746673       0.85496299814041576        2.3918166863374200E-002
 -0.29356354207135538       0.24297932046564721        4.6577660594699227E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.59465778552849313        1.5708633787917712        7.7382433697078534E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.22803378658355219      -0.47174699719427809      -0.29181929827213193     
**************************************************
     Configuration num.    709
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1835754800760627E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0632442018886312        6.2948859280872043        5.7768772467073601     
   5.3882145995536552        5.8119530726807795        6.4104333462805974     
   5.6839128757536015        7.0472228349811346        5.1395063791706761     
   6.5438412653659404        5.6153674384444940        5.1051013468445392     
   3.8797449721927397        8.4407422165345700        5.7166543168667276     
   7.1946281299826449        7.1569683356897125        6.7206310004055130     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.568810218197310     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.92571267501977761      -0.11413382762856192       -1.3053914786259009     
  -1.5074526711557517      -0.61717983436247248       0.78801661997450800     
  -1.5510667794663824       0.77736123710298377      -0.48867025927922447     
  0.81526528547643273       -1.0883182380222025      -0.27531840434719312     
 -0.41195425686999665       0.35912615081492444       -5.6686561230121266E-002
   1.7297511122089264       0.68182325242101227        1.3370894837814635     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   4.1033635923940182        2.1875581721936581        1.5477941519985015     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.34310884539070352       0.45258574680106450        1.0599482305425247     
**************************************************
     Configuration num.    710
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1835754800760627E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0652702321682899        6.2558423051705079        5.7820134617942607     
   5.2678987404014537        5.6635743415140354        6.3171633396734048     
   5.6603341839953174        6.9865940517937251        5.0331464331211304     
   6.5241872809315984        5.5689753815783591        5.1339810993196560     
   3.8870395378771705        8.4268749209986122        5.7221812616516132     
   7.2050996064297754        7.2128786526831972        6.7326289398706951     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.539278258851027     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.4551372775044822       0.69948645598129189      -0.79188373001193502     
  0.64123139237643212        1.1867370024860424        3.0469964643939623E-002
 -0.58874563801882362      -0.32997983290375132        1.0867159757097027     
   1.6868476005404254       -1.4571320561445831      -0.61560097728475305     
 -0.41379689847636780       0.35536527976974275       -8.0499918031836787E-002
  0.13051874855077758      -0.45134690643473879       0.37174343602723947     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0588592381232655      -0.18974603783748642      -0.56131901700417153     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.5213311168329295        1.2725947642200137      -0.15223523689518537     
**************************************************
     Configuration num.    711
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1835754800760627E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.0541847172288534        6.2513109534586802        5.7334382655272806     
   5.2672305346936596        5.6544906752159099        6.1809866750147995     
   5.5010484190330118        6.8700716430554980        5.0990366069933053     
   6.8463886349321612        5.5989004782283081        5.1969052347604157     
   3.8799129400800183        8.4312408966032528        5.7496569750704793     
   7.1976761967978158        7.2208430857592392        6.7224405111314161     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.543433278327711     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.8983409649400365       -2.0634631797496388      -0.66904821512504564     
  0.22629906235309036      -0.21626038541370626        1.1653326856051875     
 -0.59281682600382968        1.5913149814628789       -1.2710828009909991     
  -1.5764135051379342       0.48597428664678644       0.36148960966222238     
 -0.36123423669850857       0.23186418773961251       -5.9344798940707572E-002
 -0.59320260324857044       -2.6091515212951590E-002  0.47405528029625588     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2864467889162332       0.62479045395547683       0.94768796774058017     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.77192223653157044       -1.2606736930408213       0.65730374547231962     
**************************************************
     Configuration num.    712
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1835754800760627E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1804834947389073        6.1871877913914837        5.7096494484670721     
   5.3869311395788904        5.5456218616946904        6.2477191580283824     
   5.5038263532124665        6.8106377518703267        5.0125967809235314     
   6.9179955682150496        5.6118523552819548        5.3274597885961912     
   3.8457533218118853        8.4657285603084720        5.7418394569183144     
   7.1671497093467256        7.2256070117699869        6.7258109765261773     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.509443478736561     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.2045302167270151        1.2472194364027172       0.71580282174068766     
   1.3054094645441292       0.90143495277357144       -9.8546578753816977E-002
   1.1698521151363104      -0.46230259080732039       0.74515042585761648     
   1.9416245647890804       -2.3229876168909702       -2.0503992676693499     
 -0.18063119788518300        6.1867383344922401E-002 -0.11372817021682396     
  -3.4172597281702285E-002  0.57331290707865212       0.80170660000056726     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.37578749281534968       0.56608996901606223       0.42635484103565174     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5324237642933036        2.1065647188817338      -0.82594936099143335     
**************************************************
     Configuration num.    713
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.1835754800760627E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2066901358271664        6.0909755389235389        5.6611333548200697     
   5.5751943693295782        5.7073647504254312        6.3691334926731011     
   5.5565503540497803        6.7777981899676014        5.1024127179562688     
   6.6897814506468425        5.3954712209225493        5.0980201588496570     
   3.7897911590594839        8.5507078061911006        5.8208556722174034     
   7.2127922822706125        7.1830929054952337        6.6652858404889432     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.594135929197364     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.85262696454949927        3.7370033106347167       0.44739339689388535     
  -1.7496840561513578       -1.6161513120566195        1.7384397813370494     
   2.9320638891179956E-002   5.2817413534044448E-002 -0.33371747642947658     
   1.9378834209842362       -1.9548549614377477       -1.5470609569397760     
  -6.8097555268974430E-002  -2.6308284341866845E-002  -8.7008725931046110E-002
  0.70561368961182014      -0.19296360669981194      -0.21789758865840367     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.2955439809444234        1.0151331085619502        1.3399204163345013     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -4.8159491142541151E-002 -0.23903287367243817       -1.5160225563133372     
**************************************************
     Configuration num.    714
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2320749392930158E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2320730960238899        6.1103262293596288        5.6560133261278684     
   5.5295043605530410        5.5967240155489328        6.3401853286421206     
   5.5345331877625856        6.7158930554657434        5.2046872007170091     
   6.7023139381051351        5.2682506024999327        4.9800178690796768     
   3.7525031165852654        8.5613169337429156        5.8516087263161287     
   7.2477060268151465        7.1997493071899159        6.6413079689920549     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.531290335190988     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.75507841948910981       -2.9347452014028015       0.91925687981835180     
  0.54944797033755255      -0.21197719505622639       0.27368556721999643     
  -1.4395812159389370        1.9113996884530553       -1.9322492679896450     
 -0.18391159489846309        1.8781541493784220        1.1732356288502490     
  -4.2912414466231660E-002  -6.0040839385913383E-002  -6.9428387096928085E-002
  0.36098167044738372      -0.58260632927129952      -0.36373320445720958     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.56955946327594387       -1.5774130959728287      -0.62622872538607832     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.65230065002005566       -2.6227836903813904        1.3669249134574142     
**************************************************
     Configuration num.    715
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2320749392930158E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2242102726620105        6.0707043240444412        5.6382052631961397     
   5.4487782065805570        5.5748417933546150        6.3113397572269010     
   5.4930925470124805        6.8422645088132281        5.0823338460491989     
   6.7926752857109918        5.3687074140726843        5.0176399402176672     
   3.7393402500868969        8.5392708204885519        5.8799482160290957     
   7.2671211754861522        7.2120956639733764        6.6318159692983540     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.644742139281334     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.7323795305615457        2.0302208974352451       0.20181947769996697     
   1.2679413997358111       0.25507377735959397      -0.41242207272931386     
   1.4817888803459924       -1.4273833511207461       0.63245428068107057     
  0.17123523205266478       0.21441535761523670       0.12660290563535365     
  -9.9483168011008059E-003  -7.9646652132103521E-002 -0.11364910128224257     
 -0.17840513783436890      -0.99059819396595206      -0.43374176891053029     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2910336829979081       -3.0448034652724769       -1.5912236961659749     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.14744447602951205      -0.15851355187069197      -0.24618951127169908     
**************************************************
     Configuration num.    716
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2320749392930158E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1416846125048821        6.1717991404996804        5.6643613522660621     
   5.5790420970144297        5.4095077350302425        6.2776884145959482     
   5.5500692049988762        6.8183090447991690        4.9438701743104074     
   6.8600076203619995        5.6857663739869819        5.1486043985008418     
   3.7335491639796694        8.4912777501694272        5.8874154620219539     
   7.2721485510995443        7.2114235270957252        6.6201302210215571     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.512319723181008     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8124017313226914        1.4020293003580124       0.88754435703735468     
  0.19510781872604555        1.2127152188061237      -0.30110381636081168     
   3.9221421213891980E-002 -0.50918670147178691        1.3245936500550290     
   2.1950692751577074       -2.2310018665422682       -2.2062892994354555     
 -0.12080765100329398        5.0345073877974503E-002  -9.5141067681214553E-002
 -0.49630576867412696        7.4967730515787395E-002  0.39181826094406585     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.71604370883065016      -0.54743752845004889      -0.20837564968313146     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8302941066607965        2.1596792444341815       -1.4212974711595003     
**************************************************
     Configuration num.    717
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2320749392930158E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2441495074293849        6.1093022667592498        5.5961123653800788     
   5.7076473585364038        5.5000851691054757        6.3107851110350364     
   5.4538195226942330        6.7547142213993538        5.1865854939783853     
   6.9411691326776088        5.6791793100023469        4.9669923149156494     
   3.7289751097494559        8.4446947562028978        5.9028764847537696     
   7.2292012610409815        7.2768784857403661        6.6171628899773296     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.755319162385831     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3206089050814476        2.3560012681644777        2.0971309924369725     
  0.18116833528651838      -0.77593549183793531       0.16670134887634661     
   6.1645141475867173E-002  0.12389618606205616      -0.50290287956101121     
   1.1731491729846057       -1.2863069649958496       -1.5081990035351371     
  -7.5065625719668461E-002  -5.1983613645019119E-002  -9.4800743264921244E-002
  -1.8704383837992493E-002 -0.36580531813101680      -0.15685383050306306     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.42448848775579573       -6.7253585806154592E-002  0.45426124699856330     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.71493821177793748      -0.16485810870165510      -0.62947126187206526     
**************************************************
     Configuration num.    718
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2320749392930158E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.2142917454416100        6.1994360819263203        5.6286245806875064     
   5.6703103028447961        5.5318461767657396        6.3857100597879768     
   5.3650313547751054        6.7565920502570078        5.2630048703496088     
   6.8998209235966561        5.5727545437077817        4.8415530120949724     
   3.7455281399999794        8.3959020343190982        5.9196790474323944     
   7.2416589015376980        7.3033471861065200        6.5864228803331031     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.617502440697763     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.86956676429297231       -2.4399848705254321       0.19412722427120774     
   1.0791757922740488       0.27411335225262307      -0.86225086151747898     
 -0.26112043870267027       0.83480547948285633      -0.84702698944414323     
  -1.6961030362141243        1.4455892546563227        1.7627464301862126     
 -0.15078486977043909        4.9053467087879523E-005  -6.4234545988267916E-002
  0.16166786905113539      -0.11425857116562471      -0.18186145169741325     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2385823737898793       -1.2291965934833140       -2.2868496572351531     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   4.3934223168879037E-002  -1.2303354107746645        2.1590504756281819     
**************************************************
     Configuration num.    719
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2671167905455346E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1913974268813483        6.3169317582366942        5.7098321153393892     
   5.8280828035750423        5.5531134082422025        6.3342637659166607     
   5.1818243865854736        6.9004424845468479        5.3018174238606788     
   6.7121779472541316        5.7726679239823424        4.9094697396932361     
   3.7065347046456876        8.2569220379698383        5.9359048547382045     
   7.3124491787794188        7.3613364411270528        6.5364477246602766     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.629597719838557     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.8581084647308113       0.80631404809418850       -2.5408216936732617     
 -0.52396414364368127      -0.98366076060911611        1.4744759842327655     
   2.2049245108121101      -0.68777734739976171        1.0613364492318980     
  0.20842316662341470       0.27527246406331762      -0.24595456997860479     
 -0.39196696378791401       0.19287221621163803       -7.6767924951285454E-002
  0.36041759259484651       0.39677616417046924       0.32875873508745035     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.82297399732205578       0.37778257097458939       0.33931783477990357     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0957242932838978      -0.15279833921218491       -1.0920942054600549     
**************************************************
     Configuration num.    720
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2671167905455346E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1302669877842986        6.3695420434168080        5.7316708126980496     
   6.0134835814907666        5.5269936825969275        6.5100136005190823     
   5.1996643804424529        6.7929038911981419        5.5644829538009590     
   6.7635795875856797        5.9067218608402587        4.9345421505766307     
   3.6713499368661995        8.2196562560305484        5.9168123448957122     
   7.3396139780252909        7.3807339296425392        6.4958483693382068     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.571650715290620     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.3123889242768523       -4.1090001816313739        1.3720285455939889     
 -0.21387062053238881       0.81873043991695837       -1.0266864168493814     
  -1.9597820916936772        1.5551462802895806      -0.73322138101656109     
  -1.1183254222074239       0.20012381960349399      -0.18466036077882664     
 -0.50769989357766510       0.28456817908864090        1.0680836408365792E-002
  0.48631514081264737        1.2495358399194634       0.56223452293503051     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.4148756742454132        1.0026446221739582      -0.60986500417556377     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.52560841653040846        1.1397635203635308        1.2188820484174794     
**************************************************
     Configuration num.    721
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2671167905455346E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1415925504900430        6.3106682012415032        5.7676691887651765     
   6.2046807330395319        5.6033584031493850        6.5546044182367380     
   5.0741230342868695        6.8866277080518401        5.7547716998313270     
   6.6456068204363392        6.0175852881818059        4.8736275687946407     
   3.6361503209951347        8.1771296292734839        5.9084165147587928     
   7.3768793291900119        7.4115076965394158        6.4724207593485819     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.601971879459601     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0219640951217415        1.7321045989996853       0.74711081680049640     
 -0.53355364917513826       -1.6198406426642711       0.38088357769038200     
   1.7192758052316108      -0.78546441926849331      -0.30988149014871402     
 -0.20517269397392010      -0.64733085095480591       -1.0326374922196107     
 -0.48987147602592773       0.25854369285168866        1.1031505224857263E-002
  0.53014593091667872        1.0616709912455966       0.20278612448578434     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.36343122301151165        1.7984658730596952       0.73105358731160208     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.0131925377173387        9.9509556318812545E-002   3.9943177214751595E-002
**************************************************
     Configuration num.    722
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2671167905455346E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3105203676918009        6.5454048227541008        5.5955481904452657     
   6.7154255084760832        5.6923657938475092        5.0383888609574541     
   5.2280896066616753        6.1678511341206663        5.8784384712880016     
   6.2066323493334821        7.4664805055797556        4.9621295847033116     
   3.6737287958586200        8.2774822934329144        5.7705870770353398     
   7.2566015194537563        7.1392111715601114        6.8156921170922322     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.419734473151266     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -3.5641175333538953      -0.71285983003760933       -2.6486775989906470     
  0.70736480575513538        5.3742463138434352E-002  -6.3542845878988188E-002
   1.8069029647998951        1.2441836460666014       -5.6021039227553637E-002
 -0.63251432296876220       -1.1934158258722793      -0.17124728537419853     
 -0.30038049522583721       0.17125422735878068       -1.9130698563076566E-002
   1.9805306919746994       0.43767491277810605        2.9582857015168269     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.64156299553391594       -1.4971094371568681        2.9530472536076458     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.1114912561222612        1.5290324733522831        2.6691430633575268     
**************************************************
     Configuration num.    723
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.2671167905455346E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6560700180136898        6.6597987701166028        5.3723499791480149     
   7.0262669588354534        5.5605962511004572        5.1865799194052018     
   5.5962723881457848        7.0336475376266803        5.2570922569756844     
   7.2048481345227806        7.2583301883040336        4.7531623128671763     
   3.5639711133043428        8.2331353362949962        5.6617449588522986     
   7.0600562962413198        7.0854707489077766        7.0771115468340735     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.670556776081185     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.0626218288485818       -2.3563550204254633        1.4894151292597018     
  -1.2928356259321105        1.7054147327818114       0.32643187884611591     
  0.10393237516553741       -1.0396282235258154        3.3280782250770580E-002
   1.9611617418004028        1.8392047489266883       -1.6596906825316684     
   4.2667858780925716E-002  -2.9191290163127208E-002 -0.11085371635091683     
  0.24761681764417440      -0.11844995064405653       -7.9439172978903710E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   2.6675344393454769E-002  -1.6818009536688832       0.21200351433239525     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.5778680814516859       -1.4130670082636909      -0.51074380890740367     
**************************************************
     Configuration num.    724
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3010284250495162E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6847240836821200        6.7125889069670999        5.3889660496970144     
   6.7998064827104665        5.6525110741980011        5.2987424025686494     
   5.7050102578519208        7.0652107008156202        5.2742776878150979     
   7.4186247586781029        7.1900046748239426        4.6417167219823172     
   3.6025288490066978        8.2869555787080440        5.6524733745204241     
   7.0009536121935660        7.0075433159907679        7.0787339924234995     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.774340057865857     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.2253396938096301       0.13950436640667063       -1.0159662265942773     
 -0.22833940878337144      -0.94604377411666951      -0.44931397410988455     
  -1.9609675505191295       0.57869136660353671      -0.72823391412125615     
 -0.78093480802777637      -0.23382951858444101        1.2563521612980879     
  -2.2109462520083389E-002  -1.4550105203915491E-002  -7.9988445965828603E-002
  0.76619428270075840       0.47707670125558682        1.0141950868334926     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.0852833562790787       0.57913931384076267       0.30889419297685905     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.57314127128169912       0.92616096833814510        1.9429722424581550     
**************************************************
     Configuration num.    725
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3010284250495162E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6857406326429558        6.6964384835208000        5.4153062921305706     
   6.6872422114339987        5.5752597665744856        5.1159485555540982     
   5.6009359987801428        6.9646463202360813        5.2349612230850964     
   7.4952498765503535        7.1349893591336455        4.8657318154212961     
   3.6812157214383499        8.3573495941589062        5.6270352918608486     
   6.9377194202215442        6.9688901053120524        7.0950334470784746     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.721197341101291     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.7763058120858670       -2.5835002038196824       -1.1787626913377163     
  0.33884758381672592        1.1482936921906410       0.83269693073523210     
  0.89406347806622088       0.77303952650185814      -0.34070714043336836     
  0.14280568819303222       0.78694702669124006      -0.63199929942732225     
  -6.8962314804433267E-002  -4.6187933515096542E-002  -8.3430378594060328E-002
  0.47046105243749187       -7.9299515613117350E-002   1.4024300156040499     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.90498869003237659       -1.2767430215563198        1.8093039001552120     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -5.3137867992435556E-002 -0.96058158912355762       0.39538486558475994     
**************************************************
     Configuration num.    726
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3010284250495162E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6025024061666802        6.6210770679686783        5.4011415397970648     
   6.7944734709037409        5.4827420627307504        5.3399375245131919     
   5.6667319364407840        7.1211657755022530        5.1544610020572579     
   7.5111007270691541        7.1869287172867153        4.8776899704258980     
   3.7679732028286788        8.4542014937587275        5.5571522685979806     
   6.8578516843424513        6.8844885349902718        7.1521769342945811     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.691800298049426     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.2846433687728349      -0.44991294511750152      -0.31686673538901078     
 -0.82093900858663871        1.6259196886444731      -0.62730923291463303     
 -0.77555570469271862      -0.25446676233718196      -0.24902816423746194     
  -1.7247139305815289       -1.1569564634948357       0.78020060038559358     
  -3.9828678159675140E-002   1.9265232871172711E-002 -0.12012123456837376     
   7.6267922747773831E-002  0.21744291813325176       0.53287042672869700     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2146006148561621       -2.8386986105546703        7.2081983575819422E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.43856642748569746       0.88628349329663991        1.1576520649815463     
**************************************************
     Configuration num.    727
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3010284250495162E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6443719388506546        6.6290165858084729        5.4410052872692534     
   6.3727091795741089        5.6488955439139401        5.1856064637594965     
   5.7319475663262764        7.0719178984151316        5.1543915431382077     
   7.5943653589275133        7.0751637227354349        4.9814723124890126     
   3.7429966421757581        8.4810843131683900        5.5344873656037805     
   6.8994767983272736        6.8543359221370910        7.1670475530124165     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.641087243561287     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   2.1948623503654225        1.3445693524331781      -0.15290308461531027     
  0.68738082669616141       -2.2340518095756838      -0.14720889357844472     
  -1.2618148450068414        1.9967080243278177      -0.24349343745686045     
  -1.4525162795315203      -0.86327947332942445       -8.0732390831596001E-003
  -7.5070823666794795E-002  -1.2544265389076523E-002 -0.10076826761569797     
  -9.1700155224619606E-002 -0.23094344945972720       0.65300374962546925     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.65148992183602095        1.8680497800468712       0.62990719024188047     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.8636522158327582        5.6804522077069305E-003  0.61909939232260081     
**************************************************
     Configuration num.    728
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3010284250495162E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6866502562937074        6.6146516406308820        5.4430955458226560     
   6.2413061782385144        5.5795674796022663        5.1041603744928619     
   5.7530415005282158        7.1975143986145493        5.1899105860670964     
   7.6467715077023675        7.0114685988266032        4.9642236044471773     
   3.7043355885667690        8.5187622976548187        5.5443458204127429     
   6.9303474478132472        6.8223625073235388        7.1636087784007136     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.638727741190223     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.1898059381497295      -0.34205365858287640       -1.7019302687768438     
   1.6999712260691564        1.1386762849640282       0.84115837408647220     
  0.76930144099248743       0.55042377705437806       0.13777020511038629     
  -1.3748912778958136      -0.89306167596306396        7.1281426473390336E-002
   2.2211694622958755E-002  -5.2272807351072689E-002  -9.7974153862637886E-002
   7.2927033761673796E-002 -0.39971418582595336       0.75004092743829309     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.0414751611945654       -1.7884099727914342       0.37086537656824664     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.6423599160269007      -0.71950096477322634        4.5817724932256405E-003
**************************************************
     Configuration num.    729
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3221646301623527E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3146037948059055        6.7161752781925319        5.5230541764723826     
   6.3732206321274392        5.6095700757514955        5.2162577040091831     
   5.1306373876116886        7.1429409970861579        5.6092442287921154     
   6.8176947245610684        7.4163523615303193        4.8097425416768926     
   3.8272369511614972        8.5417999301904413        5.5495748914564977     
   7.0823710793686692        6.7220210573380239        7.0887612617919009     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.609856484240254     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.2845066499706954      -0.76813201649569496       -1.1714639289574555     
 -0.11851063251995041        1.4647928139847284      -0.16932060054210263     
   2.4299421886889712      -0.77514060438445131      -0.12808040901809803     
  -5.2376094550573640E-002 -0.59506089957197861       0.44895456526329314     
 -0.58221878464672860       0.35988645435345423       -2.7327650446510636E-002
  0.60673854127466131       0.31341870575025299        1.0453672935485316     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2850382942200032       -2.0497227038518502       0.77259415815848975     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   7.8620035351012238E-002  0.38255163233988360        1.1201707100642280     
**************************************************
     Configuration num.    730
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3221646301623527E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3061898177472751        6.7619889951304053        5.4530378214370323     
   6.2480956758109638        5.8314918469442336        5.0239314261034451     
   5.3818530307082524        7.0342368948410998        5.6323358506397767     
   6.7584598880455085        7.4424275359386325        4.7940005371471370     
   3.8178469567073532        8.5085595103359051        5.6133590527510657     
   7.0870685760763097        6.7240246304499749        7.0695677721663293     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.430655373292215     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   3.6916658234121478      -0.51052423913492317       0.97672258687717839     
  0.44980671085389401       -2.7969822849686530      -0.92626653974569162     
  -4.8563329112334781        1.8747922613751975       0.93260223895842254     
  0.96282691497117656        1.1820464759482610      -0.71500716401611697     
 -0.59293510603731681       0.40404034784052750       -3.9474558241561382E-002
  0.34685089485704446      -0.15375125472634005      -0.22893745112733035     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   5.6889491933094583        3.7186691492843540        5.9078379054995606E-002
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.9623438177071526       0.53175749994125598       -1.1346995354097480     
**************************************************
     Configuration num.    731
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3221646301623527E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3505627787521828        6.7694152416786997        5.4429527936244160     
   6.2974771882178615        5.7569818972700730        4.8059660266294832     
   5.2158874467662573        7.1830235015068915        5.7140916855198389     
   6.7615003639160287        7.5822773593059445        4.7219597080052322     
   3.8014750227838752        8.4917093216804211        5.6663671642244831     
   7.1012181521747326        6.7141999941618042        7.0434722729965413     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.426932433542788     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -2.4184323975963080       0.22127954559482141       -2.0393246245363965     
  0.42640532118227936        1.6464203158734401        1.6974118591201901     
   2.0251611332756188      -0.80997961550924569      -0.98733295020919132     
 -0.13384779683024772       -1.1086754311558982        1.3934002418623006     
 -0.60206359973690704       0.36944241714484621        5.0849120958150217E-002
  0.70231352054984608      -0.31760838525611246      -0.11593975989671813     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.63493365034696203       -2.5337635636380633       -2.8236704163355539     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.70737503227818133      -0.81896959937770919        1.2515061453491756     
**************************************************
     Configuration num.    732
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3221646301623527E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4720625390256821        6.7403345329474194        5.2853824920883472     
   6.3829067995363307        5.6540403049473618        5.2089002073741622     
   5.4712955883723158        7.2932905736733362        5.1553715117270444     
   7.2921672117781755        7.0963102421629412        4.6120548937572545     
   3.5241907044603380        8.6323886953919082        5.8518830654828022     
   7.2390121022983589        6.6373757227482564        6.9413157523529545     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.747525861230315     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.32524170111713874      -0.38744321999928277      -0.24086071130236722     
 -0.49558005103409952       -2.4927118616458657E-002 -0.97982560603711089     
   1.0428745202967160      -0.25243482706096410       0.87906217084325255     
 -0.65835837642502182       -8.9876948954887181E-002  0.31747443321248198     
   5.3358845659808751E-002  -5.8168789242721806E-002 -0.12838144689723385     
 -0.26598017508228489       0.81410548138551875       0.15269394204315628     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.1233104898811006      -0.81746318306579058      -0.59363082119978183     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.93818817465289905        1.3077704204804039       -7.1152184623004655E-002
**************************************************
     Configuration num.    733
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.3221646301623527E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5258361753987799        6.7730239214708590        5.2632051138425675     
   6.4186839003372063        5.6878293611850799        5.1156987957097524     
   5.5649905295030049        7.2380651401538572        5.2952416960688549     
   7.2783499962915092        7.0065776989009310        4.4950743180415484     
   3.4899460952221437        8.6398526028149920        5.8897164309448122     
   7.2419901204932859        6.6313797711150881        6.9189287441036864     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.752463519858111     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.3105555564872968       -2.5897430876367675       0.16579380541904332     
 -0.64944727561144300        1.0569597989911698E-002 -0.47917672096890429     
 -0.84354282243897238        1.0731871035672289        8.7237024200952189E-003
 -0.10953288934432931       0.88596218212990929       0.37494626990728569     
   6.9328326765103768E-002  -7.2743585017643525E-002  -8.5704048520948470E-002
  0.22270561657880858       0.69376663916964776        1.6188456799618001E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  0.29485701653399971       -9.4401619104800730E-002 -0.76574143893397761     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.36340541249727376       0.43047826058827426       0.51249104608899043     
**************************************************
     Configuration num.    734
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4207403870327802E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.4938780318268563        6.6852315703479857        5.2425646562960075     
   6.4673053870139539        5.6408217712783992        4.9572220554406883     
   5.5420842160003101        7.3008409346142900        5.4159537105375213     
   7.2395363830360902        7.0459366132358836        4.5020547275046141     
   3.4909356159120031        8.6397304385043387        5.9232406254222845     
   7.2533054265534291        6.6550250633354242        6.8958705130409088     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.836530721851204     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.30726397174010522       0.59096511618929592       0.44920867454193697     
  -1.0079910278524862      -0.54302702649490364        9.0868401757432465E-002
  0.64814019000785983      -0.74377060116004134      -0.75915501811372021     
 -0.32853872006682894       0.74216000903586354       0.49659263886498828     
  0.13844122635289743       -8.5696666798896121E-002  -7.5490412432986848E-002
  0.24131604487315927        3.8232169582338299E-002 -0.20075094486266326     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.3532460277710201      -0.31752388984082214       -1.3747567281455937     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.4744698271485395      -0.46916859451606285        1.0366379521604723     
**************************************************
     Configuration num.    735
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4207403870327802E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6347966417665072        6.7193989443286704        5.8285555280929273     
   5.0470933596844612        5.7550856232954413        6.1036110763889990     
   5.4389102370666205        7.3252983939042586        6.7188587188764259     
   5.8152894279278913        7.2609707461695532        4.8949947511083467     
   3.7273666017057119        8.7194479002111702        6.2009466945301037     
   7.6404876306590257        6.5238195440355948        6.0989623292258193     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.247237645300633     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.96391967291164782      -0.69083832177297722        2.0945475378646083     
   1.1671258514465015        1.0800488086080358       -1.5727579861293219     
  0.19017276508687281       0.44321408737801216      -0.62276764129984075     
  -1.1598096374411124      -0.50862496595654949       0.11449690769661044     
 -0.56491151631596992       0.31737137065228199       -4.0587925010626774E-002
 -0.59436371398059951      -0.64006377061482056        2.7279609311947516E-002
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.2330050239984367      -0.75671916637961623       -1.5736092855965589     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.4334477785272477        1.0158216741527555        1.1029610683890665     
**************************************************
     Configuration num.    736
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4207403870327802E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6981159124060463        6.6390763772345354        5.9187345315253177     
   5.2801101658152918        5.6779597291807509        6.2075137012274588     
   5.1562926431873155        7.4781068076313399        6.6397090846260758     
   5.6653601023640574        6.7041288566034059        4.7971320545281593     
   3.6836797225511901        9.0212588066511525        6.2044074628346157     
   7.6852348627765528        6.3035078572154761        6.0731987604175925     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.422297249054509     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.45867220812621462       0.50835635205550522       0.53682882543262211     
   2.7116426528355334E-002 -0.50532113966889536        8.4529798659109714E-002
   1.6026232195345029       -1.0339007514247220       -2.0636479104206980     
 -0.30917965367607647       0.61317107630210477        1.0989510987744882     
 -0.15907921190474655        4.0762893288731596E-002  0.12837415682271153     
  -1.6206251498610664       0.37986006594867894       0.21181375274180325     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.7808794596126005      -0.80859766339972328       -2.9609753765929372     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3721284346251392       -1.3909892603369043        1.1184589028917828     
**************************************************
     Configuration num.    737
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4207403870327802E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6718246764709157        6.6313279038706048        5.9526981107507995     
   5.3608654058978980        5.5319952012417071        6.1519527356778889     
   5.1173537307235799        7.4706624207669510        6.6237358708249197     
   5.6562127867298218        6.6789357178368931        4.7621731567397880     
   3.6673112040435951        9.0762010615841255        6.2320928482573876     
   7.7068246033775747        6.2713415345831240        6.0460220980501065     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.168744299714945     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.42268336994386974       -1.8209695425853376       -1.5348016988855582     
  0.16964390693007497        1.6622020009650600       0.10914286810402232     
   1.3648027612992355       -1.0224857810389174       -1.5531196606593420     
 -0.31587453630326173       0.65931601989768485        2.5422881022549926     
  -5.0903426370453649E-002  -6.1393081277779156E-002  0.12839709865001545     
  -1.5903005316210919       0.58342440654073624       0.30876785263579998     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -3.9158794051402874       -3.2170764514501231       -4.1919872766799884     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   1.3087471496438898       -1.0165189644463475        1.0708991765078217     
**************************************************
     Configuration num.    738
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4207403870327802E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.7905590222105046        6.4111169873288949        5.9222259100701153     
   5.3133855726118826        5.4850604632429416        6.2777753749757528     
   5.4354010044966650        7.5813577619278059        6.1819052460676405     
   5.6707161183591195        6.3300616061649491        4.7881703169496657     
   3.7058150355967623        9.1850830197452407        6.2610347294490571     
   7.5959319382942860        6.2692321302995904        6.0601243852891429     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.625215407173755     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.17786057568864108        2.2724588715827032       -2.1808334165318559     
  -2.0786719235368085E-002  0.55542320179836913       0.74749162367421440     
  0.18858786441414924       -2.9153982058969818       -3.9977494138439790E-002
 -0.14004055458804410       0.27767793183788658        1.0966191955124609     
  0.15249989806441366       -6.4723837856327238E-002  -1.1607438616566325E-002
  -3.6264037145731930E-003 -0.12543478079107856       0.38727670764312622     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.67800938317836812       -4.2702910056363903       -1.3816193033617721     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.64242612186337589      -0.84278534486524836       0.23702947711527553     
**************************************************
     Configuration num.    739
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4677117117870688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.6746000345514584        6.6392571672110110        5.9143236436551643     
   5.3760796588622402        5.6837434613353324        5.2581447139392923     
   5.0750582443236061        7.2269479359291982        6.7807911219906467     
   5.8350746415980401        7.4723388196140013        5.1212817641032844     
   3.9442326228582973        9.1335445731410019        6.0281867368872142     
   7.4118382165309580        6.1321717772892637        6.3055368286379405     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.356639203163468     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  0.18208147024873680       0.56603473045080310       -2.0293814641326051     
 -0.40693690446417730        1.9226691709877286        1.9135664163619457     
  0.96567513583365738       -1.7321721839197479       -1.7333051648555442     
 -0.39464824965598755       -1.1256076997458817        1.2897280451680229     
 -0.24605383004426784       0.25239877461002724        8.5275129517114190E-002
  -9.8151871127620943E-002  0.11986025447538516       0.47520425791267473     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
 -0.59715213508796272       -3.3768043606696669       -3.8259273426222005     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   8.7700672781897554E-002  -1.6478031384078875        1.2430007560234715     
**************************************************
     Configuration num.    740
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4677117117870688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   5.8192734377500663        6.6818043807316894        5.7743043166176040     
   5.0888158314546263        5.7455495283723277        5.4219255528733621     
   5.0794468438041722        6.9937178895690710        6.6813443621704902     
   5.9701849198365569        7.3866281042865802        4.9248071522250632     
   3.9593606705570248        9.1557002940710444        6.1054093246531620     
   7.3643684079921252        6.1246129648579490        6.2906597199035383     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.317863005429444     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.6074416976129182       -1.6833115599241126       0.37007033065029532     
   2.0638635455022909        1.8128198156777575       0.19724547921794755     
   2.1360745379366288       0.40754509028487712       -2.0466388437363765     
 -0.60557230318447930      -0.12187936008164854       0.90457780748095951     
 -0.26595489620827728       0.22956401969913107        2.7696277281854309E-002
   1.2795662666270031      -0.64364613105427870       0.54604256737354873     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.0081858842922582       -1.0941168150640923       -2.7351577799240765     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -2.8029725950086761      -0.39063971075564341        2.1214140894008713     
**************************************************
     Configuration num.    741
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4677117117870688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.5115249565958893        7.2639901300309182        6.2448605958448091     
   5.9911448635638909        7.8541470425263675        7.0711328972602958     
   7.1413416416493449        8.0277550696550382        5.9846641013950519     
   5.7421914438180695        7.3620443162594418        5.4176194265827666     
   3.9746282028030970        9.0951052304664106        5.4513783882691360     
   6.8058589947035095        5.6361758828138466        6.6222014761990957     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.373308656668765     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -4.8701176674049265        1.6467741340810595       0.28118438765331022     
   6.4546182290507556E-002  -1.2383211134877983      -0.40068054733398872     
   3.4964497860044226        1.0416231569999403      -0.92857789779226407     
  0.37082381292660727      -0.36594067837534988       0.77295249899431329     
 -0.12350411652820015       0.16503425497353996       -8.1976485393644744E-002
   1.0610637366991444       -1.2477994505488341       0.35861467066300956     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.8296907130070270        1.7844060972395124       -1.0168088633925627     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.73998170365332716       -1.4675568105808829      -0.61343118815269482     
**************************************************
     Configuration num.    742
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4677117117870688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.6558041239930148        7.2880178609817889        6.1186118150711604     
   5.9827432220854400        8.0066685835496667        6.6322578249835988     
   7.4526345468181923        7.9489705544312548        6.4158828977549085     
   6.2387506460138731        7.1878979892812103        5.1219568482468780     
   3.9284010935323890        9.0299222591428663        5.3599198084807531     
   6.7130079175541155        5.7045473044311237        6.7906535268611270     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.441717467944045     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
  -1.3331362140053644        1.8322598087176885       0.63038307553641482     
  -1.3437350886977368       -1.0621452386055261       -2.3888266120958509E-002
   1.9334046791897763      -0.39600529543094842       -1.0136697113223594     
  0.56432785128957075       0.59716139325126727      -0.43241155478115173     
  -5.6298195392195001E-002  0.11158021886029315       -3.2994198039654477E-002
  0.23791462882053885       -1.0819838276399874       0.87060430756081730     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.6993215439320029       0.35799136531511561       0.14232636813854982     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
 -0.17565847860935790       -1.9074085746237348      -0.43622729653266734     
**************************************************
     Configuration num.    743
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.4677117117870688E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.3278358102867625        6.6804422946839468        5.5435015234827087     
   7.1265943454890150        7.6359555430381079        5.7287678211486677     
   6.6703115201735548        5.8154806703040158        4.9653927461744809     
   5.3276976636252495        7.2224459101815093        5.4238810182193538     
   4.4449977360036650        9.2191363902545902        5.3978110349817285     
   6.3695229146745236        5.9998115007319681        7.1791260397909697     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.424517076022312     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
   1.5826385955188764        3.0408147341864784        1.3159429636715341     
  -1.8523631248424490       -2.5600735554303875       -1.3853354232308726     
  -6.8614892483924841E-002  0.60235337214238793      -0.75841210163449524     
  0.83113836948958275      -0.63750890073642108      -0.42932231660597892     
 -0.22638598127512560       0.21922164606986552       -4.2331914997290845E-002
 -0.26727012698564950      -0.66514738698947351        1.2974629973036351     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -2.2561873261040715       -2.5155405609238679        1.7096921123886442     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  -1.5083961606213501       -1.7123013739960768      -0.75383729757329299     
**************************************************
     Configuration num.    744
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.5512536541220901E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1722335731763280        6.6781572256123489        5.5891578869103160     
   7.2047703710179709        6.8482949364360737        5.4852064528087059     
   5.9165309574876295        5.9209116007936240        4.9127547547757215     
   5.5917273988267615        7.7261257828080501        5.4844289522469571     
   4.7199573920975944        9.2799344147805822        5.3936941728767822     
   6.1937153099656772        5.9599325854086587        7.1943626131111982     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.563867929645994     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.27531759836114977        1.7230817064175492       0.50213066426944375     
   1.6891242536147475       0.62435782301767617      -0.74805929575406083     
 -0.81074356890890265       -1.2488309226895082       -1.2615851510305616     
  0.52785412875777160       -1.7594766033693454       0.40418267233459537     
 -0.58610540607266204        1.1254485221872028      -0.14775919277030136     
 -0.54535217260462288      -0.46755493464913161        1.2507406291133294     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
   1.7624673021093995        1.9094065178583519        2.2046156473991285     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
  0.31535515013303761       -2.7368845933541733E-003 -0.42094165268156775     
**************************************************
     Configuration num.    745
==================================================
     System name
--------------------------------------------------
     Sn2                                     
==================================================
     The number of atom types
--------------------------------------------------
       3
==================================================
     The number of atoms
--------------------------------------------------
          6
**************************************************
     Atom types and atom numbers
--------------------------------------------------
     C       1
     H       3
     Cl      2
==================================================
     CTIFOR ( CALGO =   0 )
--------------------------------------------------
   4.5512536541220901E-002
==================================================
     Primitive lattice vectors (ang.)
--------------------------------------------------
   12.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        12.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        12.000000000000000     
==================================================
     Atomic positions (ang.)
--------------------------------------------------
   6.1395013206250519        6.6841300351212674        5.4763217175535512     
   7.0972067093933147        6.6647301497751785        4.9254358408309944     
   5.4112757193985122        6.1485500736695053        4.9344194989239449     
   5.4031271076667924        7.6569145197713260        5.5572891401200453     
   4.5400780500638929        9.5294674459808668        5.6750565756536266     
   6.4751043648272981        5.7112122045419262        7.0037191325685768     
==================================================
     Total energy (eV)
--------------------------------------------------
  -27.555847026463880     
==================================================
     Forces (eV ang.^-1)
--------------------------------------------------
 -0.69494472607239410        1.0893786707407658       0.56666938628793107     
 -0.37417429822826276       0.61795973617158007       0.16821322859107551     
 -0.72345062483297817       -1.7235788260668006      -0.96604695621534553     
   2.2461117498096579      -0.59921573101113479       0.71191804533810821     
 -0.18346800021310844        7.1753963184997660E-002  -8.1192769721289554E-002
 -0.27163051750491807       0.54528250721221672      -0.39971968831719717     
==================================================
     Stress (kbar)
--------------------------------------------------
     XX YY ZZ
--------------------------------------------------
  -1.6739303255574447      -0.35011864189204867      -0.65859496455911537     
--------------------------------------------------
     XY YZ ZX
--------------------------------------------------
   2.1742631592677606        1.2889561529854641       0.29326498741747858     
