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=14.04138375041808 pbc="F T F" Au 0.08343331 -0.14204597 -0.05190546 79 -21.81557117 2.23460569 -18.89345041 Au 1.72094491 1.73171545 0.18190327 79 20.81750351 -5.61819548 -19.31964641 Au 1.32183498 0.21219253 1.42485375 79 39.53025844 -21.58855115 18.80122759 Au 0.12990665 1.28220450 1.78278197 79 -38.53219077 24.97214094 19.41186923