../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Si A_cP46_223_cik a x2 y3 z3 standard 1 10.227 0.68367841 0.30783925 0.1171895 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000