../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C Si Ti A2BC3_hP12_194_f_b_af a c/a z3 z4 standard 1 3.1226 5.7346122 0.57260417 0.13633603 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000