Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000 XYZ file: cluster.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw unrelaxed total potential energy: -7.5633384 eV Unrelaxed energy with isolated atomic energies subtracted: -7.5633384 eV Raw relaxed total potential energy: -13.399781 eV Relaxed energy with isolated atomic energies subtracted: -13.399781 eV