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=-1.2838186654088117 stress="-52.12507039561176 -0.4709954951211399 8.533783567951271 -0.4709954951211399 -42.5291781146837 -0.7383776658558077 8.533783567951271 -0.7383776658558077 -46.57970608096814" pbc="F F F" Au -0.27948471 0.19273990 -0.19277068 -15.13029251 -15.27358965 -8.71507794 Au 1.26172667 1.55332204 -0.11563527 19.42546010 16.75010028 -17.62454836 Au 1.73110688 -0.00183978 1.51283276 15.84485426 -16.09744971 3.90823155 Au 0.20071341 1.32858036 1.64720807 -20.14002185 14.62093908 22.43139476