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=25.295336591958083 pbc="F T F" Zr 0.18883157 -0.00044125 0.04313966 40 -50.93323026 30.21226777 -29.40668891 Cu 1.44832183 1.75980354 -0.03332758 29 68.20998413 -22.74483439 -34.54291356 Cu 1.77143892 -0.09704662 1.60338854 29 31.01294133 14.70730679 10.61947279 Zr 0.24759167 1.61018303 1.42518197 40 -48.28969520 -22.17474017 53.33012968