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=27.226157229620537 stress="-3.8542630873526 0.16573118123106098 -0.1313174432128253 0.16573118123106098 -2.538667670616902 0.11628511982838713 -0.1313174432128253 0.11628511982838713 -2.477560613249259" pbc="T F F" Au -0.06254558 0.09073906 0.27219963 -5.08245938 -26.85919878 -27.69083330 Au 1.43381326 1.63132919 0.25978669 4.37188170 23.78491641 -23.36443065 Au 1.22592512 0.18365717 1.70288723 10.84911123 -25.35194695 25.77974338 Au 0.08343331 1.29585403 1.44809454 -10.13853356 28.42622932 25.27552057