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lammps/examples/QUANTUM/NWChem/data.w.bcc
2023-02-06 18:06:04 -07:00

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LAMMPS data file from VASP file VASP/POSCAR_bcc
2 atoms
1 atom types
0.0 3.1654062429393064 xlo xhi
0.0 3.1654062429393064 ylo yhi
0.0 3.1654062429393064 zlo zhi
Atoms
1 1 0 0 0
2 1 1.5827031214696532 1.5827031214696532 1.5827031214696532