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=13.001208730008933 stress="-3.0781085532854884 -0.11128691601143892 0.5154836325894999 -0.11128691601143892 -3.5349594797813264 -0.5542572716226941 0.5154836325894999 -0.5542572716226941 -3.835558992213606" pbc="F F T" Au 0.03926819 0.23010044 0.09566688 -23.06566303 -40.16772440 -20.22268235 Au 1.62528982 1.62033173 0.17828948 33.05766074 28.28028314 -18.21098433 Au 1.71182891 0.07255377 1.51129231 17.89750491 -24.44104769 9.41030776 Au 0.01258782 1.66911338 1.30454100 -27.88950262 36.32848896 29.02335892