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=33.54031027938705 stress="-3.958668636810907 -0.43676405508526495 -0.49597577689688593 -0.43676405508526495 -3.805721856174623 0.7371952756403525 -0.49597577689688593 0.7371952756403525 -5.778639579495102" pbc="F F T" Au 0.21211731 0.29594673 0.21042663 -45.49709713 -57.13131352 -10.95237993 Au 1.49042854 1.35687199 0.20775101 43.70554515 56.18507250 -16.64702941 Au 1.74122900 0.02201293 1.31634348 30.23114612 -35.27023734 23.16271180 Au 0.04376171 1.22051529 1.69273990 -28.43959414 36.21647836 4.43669753