4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=24.89369903398683 stress="-2.373393288009425 0.5707005648047162 -0.20879167380401278 0.5707005648047162 -3.2449955489788525 0.09369027055151209 -0.20879167380401278 0.09369027055151209 -0.7390725906814254" free_energy=24.89369903398683 pbc="T T F" Au 0.25551247 2.85444624 0.06482696 -26.35480105 17.97399349 -14.52300830 Au 1.34620060 1.51821382 0.30018874 27.14695989 -19.41258000 -0.06893488 O 1.40395547 2.59250092 1.23049600 -1.12311045 0.73884574 8.87353566 O 0.36885773 1.71543138 1.74843919 0.33095160 0.69974078 5.71840752