21 lines
376 B
Plaintext
21 lines
376 B
Plaintext
# Creates an "NaCl like" structure in data.lmp file
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# Assigns a type 2 to the second atom of a bcc lattice
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# replicate the box in every direction 5x5x5=250 atoms
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units metal
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boundary p p p
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atom_style atomic
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lattice bcc 5.4
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region Myreg block 0 1 0 1 0 1 units lattice
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create_box 2 Myreg
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create_atoms 1 box
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set atom 2 type 2
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mass * 1.
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replicate 5 5 5
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write_data data.lmp
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