../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Ni Ti A16B7C6_cF116_225_2f_ad_e a x3 x4 x5 standard 1 11.8418 0.68218994 0.88117634 0.66401866 MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002