../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner 
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000
O
15.9994
bcc
3.534203097224236e-10
0.5
1.5
30
23
8
20