../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C Si Ti ABC2_hP8_194_a_c_f a c/a z3 standard 1 3.1084 4.1574122 0.59290308 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000