2006-09-28 03:50:23 +08:00
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# bulk Cu lattice
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variable x index 20
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variable y index 20
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variable z index 20
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units metal
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atom_style atomic
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lattice fcc 3.615
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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2007-06-23 08:01:18 +08:00
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create_atoms 1 box
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2006-09-28 03:50:23 +08:00
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pair_style eam
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2007-06-23 08:01:18 +08:00
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pair_coeff 1 1 Cu_u3.eam
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2006-09-28 03:50:23 +08:00
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velocity all create 1600.0 376847 loop geom
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neighbor 1.0 bin
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neigh_modify every 1 delay 5 check yes
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fix 1 all nve
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timestep 0.005
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thermo 50
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run 100
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