../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Ti AB3_hP8_194_c_h a c/a x2 standard 1 5.8781 0.80422245 0.83045666 MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002