../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al Au AB2_oP12_62_c_2c a b/a c/a x1 z1 x2 z2 x3 z3 standard 1 6.8254 0.47604536 1.3256219 0.86916363 0.77658635 0.35146542 0.42268694 0.91104227 0.38585797 Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000