../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner 
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
Si
28.0855
sc
2.563728675246239e-10
0.5
1.5
30
23
8
20