../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti A2B_hP9_152_c_a a c/a x1 x2 y2 z2 standard 1 5.6531 1.0919495 0.4604408 0.41863831 0.27991304 0.21791844 Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000