../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Si Ti AB_oC4_65_a_c a b/a c/a standard 1 3.6945 1.1769928 1.0407362 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000