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=0.7202661740492253 stress="-1.39454370969669 0.11912969532851009 -0.33490862857418274 0.11912969532851009 -1.015440649471202 0.015968091565727437 -0.33490862857418274 0.015968091565727437 -1.418543691664551" free_energy=0.7202661740492253 pbc="F T T" Au 0.03926819 0.23010044 0.09566688 -17.68184767 1.40655079 -7.46298492 O 1.62528982 1.62033173 0.17828948 5.02047997 -1.02057661 -2.13025469 Au 1.71182891 -0.03786837 1.23241985 17.85463131 -0.96688964 7.38243818 O 0.07255377 1.31583331 1.46847520 -5.19326360 0.58091546 2.21080143