Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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: -8.4197202 eV Unrelaxed energy with isolated atomic energies subtracted: -8.4197202 eV Raw relaxed total potential energy: -13.976836 eV Relaxed energy with isolated atomic energies subtracted: -13.976836 eV