../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner 
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
O
15.9994
sc
4.47092142701149e-10
0.5
1.5
30
23
8
20