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=9.564815114084775 stress="-2.5610296552074407 0.07372415907214555 -0.38278906420984 0.07372415907214555 -0.6279499554937558 -0.1841127219405427 -0.38278906420984 -0.1841127219405427 -1.5134038486809" free_energy=9.564815114084775 pbc="T F F" Au -0.05369362 0.03851086 0.14982991 -8.21088250 -9.63207093 -28.98459675 O 1.01567836 1.32929456 0.28095696 -0.00932529 5.60522034 -5.29898271 Au 1.32464588 0.19207840 1.37675974 10.25525595 -1.68804157 30.17311072 O -0.05875593 1.78460712 1.25346517 -2.03504817 5.71489215 4.11046874