23 lines
374 B
Plaintext
23 lines
374 B
Plaintext
# Si fcc phase
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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 fcc 3.98
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region box block 0 5 0 5 0 5
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create_box 1 box
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create_atoms 1 box
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pair_style meam/spline
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pair_coeff * * Si_1.meam.spline Si
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mass * 28.085
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velocity all create 500.0 44226611
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fix 1 all nvt temp 500.0 500.0 1.0
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thermo 50
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run 500
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