../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si Ti AB3_tP32_86_g_3g a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 standard 1 10.2991 0.51138449 0.54576926 0.7899322 0.036132919 0.66811534 0.14490656 0.71630691 0.60429086 0.77971608 0.53189166 0.57101657 0.0335584 0.23325734 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000