../../td/EquilibriumCrystalStructure__TD_457028483760_002/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 Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000