../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cu Zr AB2_tI6_139_a_e a c/a z2 standard 1 3.233 3.4789978 0.65461215 MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_001