Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 XYZ file: cluster.xyz Isolated atomic energy for species Si: -0.0707347134620654 eV Sum of isolated atomic energies: -0.2829388538482616 eV Raw unrelaxed total potential energy: -6.6065642 eV Unrelaxed energy with isolated atomic energies subtracted: -6.323625346151738 eV Raw relaxed total potential energy: -9.2576815 eV Relaxed energy with isolated atomic energies subtracted: -8.97474264615174 eV