../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al Ti AB3_hP8_194_c_h a c/a x2 standard 1 5.8781 0.80422245 0.83045666 MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002