../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner P A_oC8_64_f a b/a c/a y1 z1 standard 1 3.3066 3.400502 1.377185 0.90570471 0.086509741 Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000