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=31.555492045657992 stress="-2.6236276822021347 -0.19085367079822166 0.07526167806037073 -0.19085367079822166 -4.442970549694906 0.18578334621819687 0.07526167806037073 0.18578334621819687 -2.593986226765358" pbc="F T F" Au 0.05473499 -0.12063495 0.13661615 -31.06391537 1.42225214 -28.65191154 Au 1.40480033 1.28303047 0.11041876 25.83401972 1.62869090 -26.88926843 Au 1.26735611 -0.16466555 1.24148635 30.30392820 2.58199167 27.53653835 Au 0.08611608 1.53369179 1.52598936 -25.07403255 -5.63293471 28.00464161