# Pure Cu crystal, structure created by LAMMPS, qeq off units metal atom_style charge dimension 3 boundary p p p lattice fcc 3.615 region box block 0 4 0 4 0 4 create_box 1 box create_atoms 1 box mass 1 63.54 pair_style comb pair_coeff * * ffield.comb Cu neighbor 0.5 bin neigh_modify every 1 delay 1 check yes fix 1 all nve timestep 0.00020 thermo_style custom step temp etotal pe evdwl ecoul press vol lx ly lz xz thermo_modify norm yes velocity all create 10.1 2398378 thermo 1 #dump 1 all custom 10 tmp.dump id type xs ys zs q vx vy vz fx fy fz #dump_modify 1 append yes element Cu #dump 2 all image 10 image.*.jpg element element & # axes yes 0.8 0.02 view 60 -30 #dump_modify 2 pad 2 element Cu #dump 3 all movie 10 movie.mpg element element & # axes yes 0.8 0.02 view 60 -30 #dump_modify 3 pad 2 element Cu run 10