# Poscar file from str.out              
   1.00000000000000     
     3.1675812848895948   -0.0000000000000000    0.0000000000000000
    -1.5837906424447974    2.7432052703987386    0.0000000000000000
    -0.0000000000000000    0.0000000000000000   12.5076706907087516
   Mo   S 
     2     4
Direct
  0.3333335000001796  0.6666670000003663  0.2532764099897137
  0.6666664999999981  0.3333330000000032  0.7500693569293846
  0.3333335000001796  0.6666670000003663  0.6257485904455552
  0.6666664999999981  0.3333330000000032  0.3775700088538960
  0.6666664999999981  0.3333330000000032  0.1289232051220053
  0.3333335000001796  0.6666670000003663  0.8744124286570488
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
