../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti A5B4_tI18_87_ah_h a c/a x2 y2 x3 y3 standard 1 6.7635 0.62551933 0.81391185 0.41256449 0.717592 0.11164628 Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000