Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_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: -6.9573251 eV Unrelaxed energy with isolated atomic energies subtracted: -6.9573251 eV Raw relaxed total potential energy: -12.031003 eV Relaxed energy with isolated atomic energies subtracted: -12.031003 eV