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: -2.3624388 eV Unrelaxed energy with isolated atomic energies subtracted: -2.3624388 eV Raw relaxed total potential energy: -10.363135 eV Relaxed energy with isolated atomic energies subtracted: -10.363135 eV