# bulk Si via Tersoff units metal atom_style atomic lattice diamond 5.431 region box block 0 20 0 20 0 10 create_box 1 box create_atoms 1 box pair_style tersoff pair_coeff * * Si.tersoff Si mass 1 28.06 velocity all create 1000.0 376847 loop geom neighbor 1.0 bin neigh_modify delay 5 every 1 fix 1 all nve timestep 0.001 run 100