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=31.55549204566068 stress="-2.6236276825017035 -0.19085366977676863 0.07526167723197856 -0.19085366977676863 -4.442970549100138 0.18578334485031053 0.07526167723197856 0.18578334485031053 -2.593986227202547" pbc="F T F" Au 0.05473499 -0.12063495 0.13661615 -31.06391539 1.42225215 -28.65191156 Au 1.40480033 1.28303047 0.11041876 25.83401972 1.62869087 -26.88926841 Au 1.26735611 -0.16466555 1.24148635 30.30392821 2.58199168 27.53653835 Au 0.08611608 1.53369179 1.52598936 -25.07403254 -5.63293469 28.00464162