38 lines
931 B
Plaintext
38 lines
931 B
Plaintext
# -*- lammps -*-
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units metal
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atom_style atomic
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boundary p p p
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read_data AgCuPancake.data
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pair_style smatb
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# NN p q a qsi cutOff_Start cutOff_End
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pair_coeff 1 1 2.89 10.85 3.18 0.1031 1.1895 4.08707719 5.0056268338740553
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pair_coeff 1 2 2.725 10.70 2.805 0.0977 1.2275 4.08707719 4.4340500673763259
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pair_coeff 2 2 2.56 10.55 2.43 0.0894 1.2799 3.62038672 4.4340500673763259
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neighbor 8.0 bin
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neigh_modify every 1 delay 0 check yes
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thermo 1
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minimize 1.0e-8 1.0e-10 10000 100000
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velocity all create 600.0 761341 rot yes mom yes
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fix 1 all nve
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thermo 10
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timestep 0.005
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#dump 1 all atom 50 dump.smatb
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#dump 2 all image 10 image.*.jpg element element &
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# axes yes 0.8 0.02 view 60 -30
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#dump_modify 2 pad 3 element Ag Cu
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#dump 3 all movie 10 movie.mpg element element &
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# axes yes 0.8 0.02 view 60 -30
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#dump_modify 3 pad 3 element Ag Cu
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run 10000 |