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=41.7936309497 pbc="T F T" Au -0.24705295 -0.08838358 0.32675390 79 30.68750545 -36.92452784 -36.84026490 Au 1.45521223 1.46850990 -0.04716377 79 -21.46435102 34.80872469 25.62910144 Au 1.42880100 -0.26121002 1.51229390 79 -28.95231793 -35.23346031 30.89487747 Au -0.15371586 1.29061752 1.73848512 79 19.72916350 37.34926346 -19.68371401