../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 C 12.0107 diamond 3.622655242681504e-10 0.5 1.5 30 23 8 20