../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Ti AB6_hP7_162_a_k a c/a x2 z2 standard 1 5.2275 0.9271736 0.66829887 0.73971907 MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002