../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C Si A2B_tP6_131_i_e a c/a z2 standard 1 3.1802 2.1648324 0.59917023 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000