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=10.8810699675461 stress="-1.9777719142652104 1.2699373478586755 -0.2554258894119261 1.2699373478586755 -1.3548980773505102 0.17545806374910067 -0.2554258894119261 0.17545806374910067 -0.9514263139207432" free_energy=10.8810699675461 pbc="F F T" O 0.20470050 0.12749873 2.95111971 -4.04728489 -4.54850847 -0.12628323 O 1.61781300 1.66162860 0.48748929 2.73698269 2.58701118 0.42117948 Au 1.36129912 0.25219415 1.62370952 38.76337297 -29.40446492 4.88618495 Au 0.07924967 1.28416794 1.40870368 -37.45307077 31.36596221 -5.18108120