Integrated Computational Materials Engineering (ICME)

Fe-V.pos

This file contains the position of the atoms of the system that is going to be studied. Copy and paste it to a FeV.pos file.

Position data for Iron system with a substitutional Vanadium atom (BCC crystal structure with lattice constant = 2.87 angstroms

16  atoms
2   atom types
 0.0      5.7400000000000002   xlo xhi
 0.0      5.7400000000000002   ylo yhi
 0.0      5.7400000000000002   zlo zhi

Atoms

   1   1     0.0000000000000000     0.0000000000000000     0.0000000000000000
   2   1     1.4350000000000001     1.4350000000000001     1.4350000000000001
   3   1     0.0000000000000000     0.0000000000000000     2.8700000000000001
   4   1     1.4350000000000001     1.4350000000000001     4.3049999999999997
   5   1     0.0000000000000000     2.8700000000000001     0.0000000000000000
   6   1     1.4350000000000001     4.3049999999999997     1.4350000000000001
   7   1     0.0000000000000000     2.8700000000000001     2.8700000000000001
   8   1     1.4350000000000001     4.3049999999999997     4.3049999999999997
   9   1     2.8700000000000001     0.0000000000000000     0.0000000000000000
  10   1     4.3049999999999997     1.4350000000000001     1.4350000000000001
  11   1     2.8700000000000001     0.0000000000000000     2.8700000000000001
  12   1     4.3049999999999997     1.4350000000000001     4.3049999999999997
  13   1     2.8700000000000001     2.8700000000000001     0.0000000000000000
  14   1     4.3049999999999997     4.3049999999999997     1.4350000000000001
  15   1     2.8700000000000001     2.8700000000000001     2.8700000000000001
  16   2     4.3049999999999997     4.3049999999999997     4.3049999999999997