units real atom_style charge read_data data2.reax pair_style reax/c NULL safezone 3.0 lgvdw no pair_coeff * * ffield.reax.rdx C timestep 0.05 fix 1 all nve fix 2 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c dump d1 all cfg 100 cfg.example.*.cfg id type xs ys zs id q dump_modify d1 element C thermo 10 thermo_style custom step ke pe etotal fmax fnorm fix 3 all reax/c/species 10 1 1000 species.out position 1000 posfile.txt run 1000