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: -0.4244082807723924 eV

Raw unrelaxed total potential energy: -12.27367 eV
Unrelaxed energy with isolated atomic energies subtracted: -11.849261719227608 eV 


Raw relaxed total potential energy: -16.933713 eV
Relaxed energy with isolated atomic energies subtracted: -16.509304719227607 eV