boundary s s s units real atom_style charge pair_style hybrid morse 10 reax/c NULL safezone 1.6 mincap 150 checkqeq no read_data test_input2.dat pair_coeff * * reax/c ffield.reax.FC NULL C H O N S # NULL for Au pair_coeff 1 6 morse 8.4884 1.47 2.7 pair_coeff 1 1 morse 10.9602 1.5830 3.0242 pair_coeff 1 2*5 morse 0 1 1 neighbor 5.0 bin # This does not help now minimize 0 1.0e-5 10000 10000