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=5.791587298942588 stress="-1.5724124351631656 0.34255968333080455 0.03151129759956128 0.34255968333080455 -1.4461517407267876 -0.08072695299490582 0.03151129759956128 -0.08072695299490582 -0.9091003650750691" free_energy=5.791587298942588 pbc="T F T" O 0.10031152 0.05442580 2.78298190 -2.37078166 -5.19603862 1.57159300 O 1.27967586 1.63572127 0.10105497 1.52074094 4.91038812 0.85336963 Au 1.23387496 0.08501927 1.56603388 8.24236457 -19.50714809 -2.99735974 Au 0.00693356 1.66501753 1.67412261 -7.39232385 19.79279858 0.57239710