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=60.537107687355785 pbc="F T T" Cu 0.25911890 0.19019325 0.19877714 29 -87.45535469 -3.35664001 -44.30290146 Zr 1.60881314 1.63250256 0.10031152 40 81.74320745 -22.34496538 -56.41081222 Zr 1.55442580 -0.14568130 1.28011711 40 84.15143859 37.88529092 63.60432780 Cu 0.13572127 1.62394919 1.23387496 29 -78.43929135 -12.18368554 37.10938589