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:Z:I:1:forces:R:3 energy=24.792749887440934 pbc="F T T" Au -0.15859300 -0.18331863 -0.08013605 79 -29.13157501 2.53523630 14.78795487 Au 1.24396547 1.59073906 0.47508685 79 29.35773398 -1.83731621 -12.56093090 Au 1.43381326 0.13132919 1.75978669 79 31.39957145 -4.72534349 5.78672228 Au -0.27407488 1.28504734 1.68365717 79 -31.62573042 4.02742339 -8.01374624