../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 O 15.9994 diamond 3.830623045563698e-10 0.5 1.5 30 23 8 20