../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner 
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
Si
28.0855
fcc
4.07776090502739e-10
0.5
1.5
30
23
8
20