../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al C Ti AB2C3_hP12_194_b_f_af a c/a z3 z4 standard 1 3.1215 6.031267 0.56976976 0.12879416 Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000