Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: 115.52554 eV Total energy with isolated atomic energies subtracted: 115.52554 eV