../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti AB3_hP16_163_ac_i a c/a x3 y3 z3 standard 1 5.2415 1.8524087 0.32915991 0.33398421 0.11725308 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003