Fe3C.pos

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This file contains the position of the atoms of the system that is going to be studied.In this case it is cementite. Copy and paste it to a Fe3C.pos file.

Position data for Cementite(Fe3C) with a = 5.090000, b = 6.740000, c = 4.530000

16 atoms
2 atom types
 0.0      5.0899999999999999   xlo xhi
 0.0      6.7400000000000002   ylo yhi
 0.0      4.5300000000000002   zlo zhi

Atoms

   1   2     4.5301000000000000     1.6850000000000001     2.0385000000000000
   2   2     0.5599000000000000     5.0549999999999997     2.4915000000000003
   3   2     3.1048999999999998     5.0549999999999997     4.3034999999999997
   4   2     1.9851000000000001     1.6850000000000001     0.2265000000000000
   5   1     0.1832400000000000     1.6850000000000001     3.8505000000000003
   6   1     4.9067599999999993     5.0549999999999997     0.6795000000000001
   7   1     2.3617599999999999     5.0549999999999997     1.5854999999999999
   8   1     2.7282400000000000     1.6850000000000001     2.9445000000000001
   9   1     0.9467399999999999     0.4246200000000000     1.4858400000000000
  10   1     4.1432600000000006     6.3153800000000002     3.0441599999999998
  11   1     3.4917399999999996     2.9453800000000001     0.7791600000000000
  12   1     1.5982600000000000     3.7946199999999997     3.7508400000000006
  13   1     4.1432600000000006     3.7946199999999997     3.0441599999999998
  14   1     0.9467399999999999     2.9453800000000001     1.4858400000000000
  15   1     1.5982600000000000     6.3153800000000002     3.7508400000000006
  16   1     3.4917399999999996     0.4246200000000000     0.7791600000000000

See

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