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=41.158044654537456 pbc="T T F" Cu -0.10785733 -0.06943116 0.21211731 29 -6.05625192 6.05706447 -35.76352127 Zr 1.44968690 1.79594673 0.15710459 40 17.80177851 -15.80996673 -69.64398695 Cu 1.29765786 -0.14312801 1.47664413 29 15.83437118 10.24502918 47.29859173 Zr 0.24122900 1.28373960 1.31634348 40 -27.57989776 -0.49212692 58.10891649