units metal dimension 3 boundary p p p atom_style full variable x equal 300 read_data graphite.data neighbor 3.0 bin neigh_modify delay 0 every 10 check yes region box block INF INF INF INF INF INF units box group graphite type 1 group boxes region box pair_style rebo pair_coeff * * CH.airebo C thermo 1 thermo_style custom step pe etotal press temp timestep 0.001 min_style cg minimize 1e-12 1e-12 1000 10000 run 2000 velocity all create 3 482748 dist gaussian min_style cg minimize 1e-12 1e-12 1000 10000 fix 1 all npt temp 3 $x 0.5 iso 1 1 0.5 drag 0.3 dump 1 graphite custom 1000 graphite.lammpstrj id type xs ys zs dump 2 all image 1000 image.*.jpg type type axes yes 0.8 0.02 view 60 -30 dump_modify 2 pad 3 run 120000