../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti AB6_hP7_162_a_k a c/a x2 z2 standard 1 5.2275 0.9271736 0.66829887 0.73971907 Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000