../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti AB6_hP14_163_c_i a c/a x2 y2 z2 standard 1 5.2263 1.8518263 0.33180195 0.99604897 0.38086731 Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000