BCC Fe
1.4315177495
  -1.0000000000000000    1.0000000000000000    1.0000000000000000
   1.0000000000000005   -1.0000000000000000    1.0000000000000000
   1.0000000000000000    1.0000000000000000   -1.0000000000000000
Fe
1
direct
   0.0000000000000000    0.0000000000000000    0.0000000000000000 Fe
