Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_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: -27.603085 eV Total energy with isolated atomic energies subtracted: -27.603085 eV