32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=198.33979293314977 pbc="F F F" Zr 0.11018303 -0.07481803 -0.25336477 40 -19.28949553 -16.75159367 -14.22035967 Zr 1.48702489 1.44857885 0.18843096 40 -16.54409844 16.66416448 -66.03360092 Cu 1.67061300 0.29169807 1.46863002 29 -13.67497093 -55.10581377 5.83222640 Cu -0.05369362 1.68378021 1.68789030 29 -23.81191590 -8.18351936 -10.38607424 Zr 2.82593134 -0.17070544 -0.21252151 40 4.31919301 -28.78904629 -29.89396950 Zr 4.39476746 1.37993804 0.28095696 40 37.67685947 39.74208594 -72.86352838 Zr 4.32464588 0.26008946 1.37675974 40 28.18827291 -73.48042721 45.50109179 Zr 2.82230465 1.78460712 1.51946031 40 14.57751803 -32.73416805 -49.64608797 Zr -0.23227551 2.95633809 -0.25985109 40 -26.38570233 -0.88444501 -18.86709297 Zr 1.49156693 4.32743118 -0.20453718 40 -6.23894290 25.87595961 -30.13449210 Cu 1.20940621 3.11893942 1.39149545 29 -14.60333755 14.78112526 -11.25438597 Cu -0.16114480 4.53926819 1.73010044 29 -20.17378187 18.80245380 -15.62669190 Cu 3.09075923 3.12528982 0.12033173 29 -3.66361453 4.40501381 -46.90846571 Cu 4.70928281 4.63771653 -0.03318537 29 4.63842422 2.42738910 -3.65277720 Cu 4.23241985 3.07255377 1.41540289 29 52.39130839 14.31997347 4.52748716 Zr 3.01258782 4.66911338 1.26196257 40 9.05432501 39.64423926 8.54772733 Zr 0.12365747 -0.04411261 2.82549715 40 -51.80779891 -47.53879942 -4.93686539 Cu 1.34681875 1.36894099 3.04737131 29 -49.03393288 16.92965525 -19.59229527 Zr 1.53238783 0.24404962 4.36810690 40 -22.61080494 -63.20365784 89.32354362 Cu 0.12937675 1.25818085 4.59119645 29 -27.07266735 9.78381373 16.53245026 Zr 2.79640878 0.21456242 3.27913633 40 61.30032441 -53.63097133 -28.83559896 Cu 4.35263676 1.71813490 2.83178173 29 40.69390251 -14.01882941 2.04448080 Zr 4.38323780 -0.23807589 4.46490969 40 21.80361198 -13.03449083 15.39214777 Cu 2.76260376 1.62263099 4.54530481 29 53.77397777 -20.39945637 48.42423799 Zr -0.04793993 3.12593290 2.84000708 40 -49.18963734 13.67108207 28.94194267 Cu 1.33958395 4.41812645 2.70122014 29 16.00727083 25.00120695 16.56157834 Zr 1.73212867 2.75294705 4.26067717 40 -40.24544466 74.80336287 48.97219049 Cu 0.37912140 4.65532384 4.49035280 29 -1.91184773 4.54042088 4.32036334 Zr 2.95283623 2.78353165 2.70072959 40 20.70605418 78.00495914 54.80730919 Cu 4.51229390 4.34628414 2.79061752 29 10.08670384 8.79447542 5.10115816 Cu 4.55644787 2.55628359 4.37808122 29 9.33427873 10.05961622 20.77172193 Cu 3.15022214 4.37361288 4.17394403 29 1.70596849 9.50422130 7.25062892