/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 C 12.0107 bcc 2.314040064811707e-10 0.8 1.5 18 23 8 20