../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C Si AB_hP4_186_b_b a c/a z1 z2 standard 1 3.0918 1.6407271 8.9172044e-05 0.37591083 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000