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:forces:R:3 energy=198.3397929331498 stress="-1124.4941506223872 20.038494761288746 -44.7040039072116 20.038494761288746 -1132.167972494297 18.181659650140944 -44.7040039072116 18.181659650140944 -1166.2583573120269" pbc="F F F" Zr 0.11018303 -0.07481803 -0.25336477 -19.28949553 -16.75159367 -14.22035967 Zr 1.48702489 1.44857885 0.18843096 -16.54409844 16.66416448 -66.03360092 Cu 1.67061300 0.29169807 1.46863002 -13.67497093 -55.10581377 5.83222640 Cu -0.05369362 1.68378021 1.68789030 -23.81191590 -8.18351936 -10.38607424 Zr 2.82593134 -0.17070544 -0.21252151 4.31919301 -28.78904629 -29.89396950 Zr 4.39476746 1.37993804 0.28095696 37.67685947 39.74208594 -72.86352838 Zr 4.32464588 0.26008946 1.37675974 28.18827291 -73.48042721 45.50109179 Zr 2.82230465 1.78460712 1.51946031 14.57751803 -32.73416805 -49.64608797 Zr -0.23227551 2.95633809 -0.25985109 -26.38570233 -0.88444501 -18.86709297 Zr 1.49156693 4.32743118 -0.20453718 -6.23894290 25.87595961 -30.13449210 Cu 1.20940621 3.11893942 1.39149545 -14.60333755 14.78112526 -11.25438597 Cu -0.16114480 4.53926819 1.73010044 -20.17378187 18.80245380 -15.62669190 Cu 3.09075923 3.12528982 0.12033173 -3.66361453 4.40501381 -46.90846571 Cu 4.70928281 4.63771653 -0.03318537 4.63842422 2.42738910 -3.65277720 Cu 4.23241985 3.07255377 1.41540289 52.39130839 14.31997347 4.52748716 Zr 3.01258782 4.66911338 1.26196257 9.05432501 39.64423926 8.54772733 Zr 0.12365747 -0.04411261 2.82549715 -51.80779891 -47.53879942 -4.93686539 Cu 1.34681875 1.36894099 3.04737131 -49.03393288 16.92965525 -19.59229527 Zr 1.53238783 0.24404962 4.36810690 -22.61080494 -63.20365784 89.32354362 Cu 0.12937675 1.25818085 4.59119645 -27.07266735 9.78381373 16.53245026 Zr 2.79640878 0.21456242 3.27913633 61.30032441 -53.63097133 -28.83559896 Cu 4.35263676 1.71813490 2.83178173 40.69390251 -14.01882941 2.04448080 Zr 4.38323780 -0.23807589 4.46490969 21.80361198 -13.03449083 15.39214777 Cu 2.76260376 1.62263099 4.54530481 53.77397777 -20.39945637 48.42423799 Zr -0.04793993 3.12593290 2.84000708 -49.18963734 13.67108207 28.94194267 Cu 1.33958395 4.41812645 2.70122014 16.00727083 25.00120695 16.56157834 Zr 1.73212867 2.75294705 4.26067717 -40.24544466 74.80336287 48.97219049 Cu 0.37912140 4.65532384 4.49035280 -1.91184773 4.54042088 4.32036334 Zr 2.95283623 2.78353165 2.70072959 20.70605418 78.00495914 54.80730919 Cu 4.51229390 4.34628414 2.79061752 10.08670384 8.79447542 5.10115816 Cu 4.55644787 2.55628359 4.37808122 9.33427873 10.05961622 20.77172193 Cu 3.15022214 4.37361288 4.17394403 1.70596849 9.50422130 7.25062892