# Si lattice with Tersoff units metal atom_style atomic lattice diamond 5.48232 region box block 0 6 0 6 0 6 region lohalf block 0 6 0 6 0 3 create_box 1 box create_atoms 1 region lohalf mass 1 28.06 neighbor 0.1 bin neigh_modify delay 10 check no velocity all create 800.0 87287 loop geom pair_style tersoff pair_coeff * * ../potentials/si.tersoff Si thermo 10 dump 1 all atom 10 tmp.dump fix 1 all nve timestep 0.0005 run 200