../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C A_oC8_65_gh a b/a c/a x1 x2 standard 1 7.8193 0.34531224 0.32109012 0.5860263 0.68934767 Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000