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: cluster.xyz

Isolated atomic energy for species Si: -0.0707347134620654 eV

Sum of isolated atomic energies: -0.2829388538482616 eV

Raw unrelaxed total potential energy: -6.5036113 eV
Unrelaxed energy with isolated atomic energies subtracted: -6.220672446151738 eV 


Raw relaxed total potential energy: -9.2576815 eV
Relaxed energy with isolated atomic energies subtracted: -8.97474264615174 eV