Elements: Si
Masses in g/mol (must match order of elements above): ['28.0855']
Model: Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
XYZ file: triclinicpbc.xyz

Isolated atomic energy for species Si: -0.0707347134620654 eV

Sum of isolated atomic energies: -4.527021661572183 eV

Raw total energy: -238.03375 eV
Total energy with isolated atomic energies subtracted: -233.50672833842782 eV