units real atom_style full pair_style lj/class2/coul/long 12 bond_style class2 angle_style class2 dihedral_style class2 improper_style class2 kspace_style ewald 0.0001 pair_modify mix arithmetic read_data CHA-36T.data neighbor 0.5 bin neigh_modify delay 10 thermo_style multi minimize 0.0001 0.005 100 500 write_data CHA-ethene-cvff.dataM