File: in.vacancy

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lammps 20210122~gita77bb%2Bds1-2
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units metal
boundary p p p
read_data vacancy.data

pair_style agni
pair_coeff * * Al_jpc.agni Al
neighbor 0.3 bin 
neigh_modify delay 2 check yes 


timestep 0.0005
velocity all create 1000 12345
fix 1 all nvt temp 900 900 200
fix 5 all momentum 1 linear 1 1 1


thermo 100
thermo_style custom step ke etotal temp

# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz

run 1000