processors * * 1 units metal boundary p p f read_data adatom.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 500 12345 fix 1 all nvt temp 250 250 0.2 fix 5 all momentum 1 linear 1 1 1 thermo 100 thermo_style custom step ke temp # dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz run 1000