../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner 
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
O
15.9994
fcc
2.956444382667542e-10
0.5
1.5
30
23
8
20