../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ni Ti AB2_cF96_227_e_cf a x2 x3 standard 1 11.5044 0.20727689 0.8081015 Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000