Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_002 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: -4.4429335 eV Unrelaxed energy with isolated atomic energies subtracted: -4.4429335 eV Raw relaxed total potential energy: -4.8087361 eV Relaxed energy with isolated atomic energies subtracted: -4.8087361 eV