../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ni Ti AB_oP4_51_e_f a b/a c/a z1 z2 standard 1 4.1599 0.70806991 1.0979591 0.19117025 0.73432722 Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000