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=-2.4402440431800803 stress="-28.169371711158796 -4.657752428594647 -3.2217858082132853 -4.657752428594647 -21.045589569412687 1.9386242205986228 -3.2217858082132853 1.9386242205986228 -29.23033107811056" pbc="F F F" Au 0.27219963 -0.06618674 0.13132919 -12.38697156 -10.86883151 -8.36508885 Au 1.75978669 1.22592512 -0.21495266 7.80159644 10.31853177 -9.17983941 Au 1.68365717 0.20288723 1.58343331 9.93114199 -5.52484997 13.36741368 Au -0.20414597 1.44809454 1.72094491 -5.34576688 6.07514972 4.17751458