../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C A_hP12_194_bc2f a c/a z3 z4 standard 1 2.4678 13.950077 0.86916696 0.13083843 Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000