# REBO polyethelene benchmark units metal atom_style atomic read_data data.rebo replicate 17 16 2 neighbor 0.5 bin neigh_modify delay 5 every 1 pair_style rebo pair_coeff * * CH.airebo C H velocity all create 300.0 761341 fix 1 all nve timestep 0.0005 thermo 10 run 100