../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_oC16_65_mn a b/a c/a z1 y2 z2 standard 2 4.883 1.1391972 0.87542494 0.15709997 0.85013575 0.6807677 4.9133 1.1162152 1.3733336 0.10134088 0.12560938 0.81864012 Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000