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: -0.4951429942344578 eV

Raw unrelaxed total potential energy: -17.863244 eV
Unrelaxed energy with isolated atomic energies subtracted: -17.368101005765546 eV 


Raw relaxed total potential energy: -21.304086 eV
Relaxed energy with isolated atomic energies subtracted: -20.808943005765546 eV