../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ni Ti A3B_hP16_194_gh_ac a c/a x4 standard 1 5.084 1.6342054 0.82746992 Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000