../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C Ti A5B8_hR13_166_abd_ch a c/a x3 x5 z5 standard 1 6.2276867 2.422663 0.24443192 0.24984004 0.76168252 Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000