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: triclinicpbc.xyz Isolated atomic energy for species Si: -0.0707347134620654 eV Sum of isolated atomic energies: -0.1414694269241308 eV Raw total energy: -7.6245143 eV Total energy with isolated atomic energies subtracted: -7.48304487307587 eV