../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Au AB_mP8_11_2e_2e a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 standard 1 6.4739 0.51401783 0.99687978 92.9612 0.81795767 0.42036014 0.31911071 0.042039596 0.97253683 0.80659101 0.50507911 0.68852277 Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000