../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C A_hR2_166_c a c/a x1 standard 1 2.4675532 5.0459694 0.83331463 Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000