in.vacancy
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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

lammps/examples/USER/misc/agni/in.vacancy43f27250b5a5lammm-devel