../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Si Ti A2B_tI24_141_h_c a c/a y2 z2 standard 1 5.8218 2.0212134 0.96688446 0.40257757 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000