Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: 694.46203 eV Total energy with isolated atomic energies subtracted: 694.46203 eV