../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ni Ti A3B_hP16_194_gh_ac a c/a x4 standard 1 5.084 1.6342054 0.82746992 MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002