../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner P A_hR2_166_c a c/a x1 standard 1 3.4783467 2.6477103 0.7708377 Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000