21 lines
507 B
Plaintext
21 lines
507 B
Plaintext
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units metal
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atom_style atomic
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read_data data.sigma5
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pair_style eam
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pair_coeff * * Ni_u3.eam
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timestep 0.001
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fix integrator all npt temp 750 750 0.1 iso 0 0 0.1
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fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori
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thermo 100
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thermo_style custom step temp etotal press vol f_eco
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velocity all create 750 18527782
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#dump save all custom 100 orient_eco.dump xs ys zs f_eco[1] f_eco[2]
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#dump_modify save sort id
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run 1000
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