../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Cu A2B_tI12_140_h_a a c/a x2 standard 1 6.054 0.80492237 0.15849647 Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000