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=473.58176652066675 stress="-9.931463772023042 0.3089819314669236 -0.03004032743523081 0.3089819314669236 -10.405030244276213 -0.04617965641994853 -0.03004032743523081 -0.04617965641994853 -10.27961379271506" pbc="F F F" Cu 0.43358602 0.11615796 0.10881314 -14.05472686 -17.66825869 -21.63623921 Cu 1.63250256 1.60031152 0.05442580 -25.06296718 -30.09525301 -72.04610786 Cu 1.50525794 0.13572127 1.55791531 -19.00343530 -59.29169433 -20.25082339 Zr 0.08501927 1.56603388 1.50693356 -82.38478035 -33.36859713 -30.91487144 Zr 3.16501753 0.22580078 0.18883157 -18.54979787 -86.01324860 -85.23051457 Cu 4.49955875 1.54313966 0.25980354 43.96804314 31.04587770 -54.67310901 Zr 4.46667242 0.27143892 1.40295338 89.75591693 -100.56120652 16.31038487 Cu 3.10338854 1.74759167 1.61018303 44.88606665 -61.19427149 -71.67308404 Cu 0.18843096 3.31865215 0.29169807 -58.61945313 -25.07289211 -31.71121877 Cu 1.23279456 4.44630638 0.18378021 31.45543943 52.49493074 -23.14721886 Zr 1.64982991 2.74795387 1.32929456 -95.89650378 78.99101296 23.72709017 Cu 0.28095696 4.32464588 1.76008946 -102.45627768 21.34316892 -72.83064765 Cu 2.87675974 2.82230465 0.28460712 34.79783117 29.13602635 -109.93803188 Zr 4.25346517 4.26772449 0.11893942 37.59084359 44.31226096 -51.35630103 Cu 4.22956938 2.83885520 1.57732859 111.19830568 24.31313814 -14.44272737 Zr 3.23010044 4.59566688 1.70326729 -33.37096357 80.01097793 -14.60340474 Cu 0.12033173 0.17828948 3.47782404 -31.49577259 -36.76180578 1.41741515 Zr 1.47219947 1.29199783 3.07255377 -36.87070524 -28.62181493 30.01989392 Cu 1.67321838 0.04358115 4.66911338 -6.30788939 -17.62297551 26.35054831 Cu 0.12365747 1.64634539 4.45297513 -29.49289646 -1.79685777 33.67521037 Zr 2.91848591 0.04737131 2.95827545 -6.39474956 -105.62310609 13.01581037 Zr 4.74404962 1.08033961 3.30317313 117.73014459 35.25279041 -41.61537017 Zr 4.25818085 0.09119645 4.29640878 18.70185087 -110.69141251 93.67935383 Cu 3.21456242 1.77913633 4.35263676 34.31397020 -66.29658803 198.38309876 Cu 0.18492541 2.73589231 2.88323780 -97.33429149 20.59795690 24.99207427 Zr 1.26192411 4.46490969 2.76260376 80.90128302 73.60344660 69.13337317 Zr 1.62263099 3.00272638 4.45206007 -59.89374210 1.57628470 75.56810028 Zr 0.12593290 4.34000708 4.39901191 -33.59664502 31.33351238 35.42672584 Zr 2.91812645 2.70122014 3.23212867 -10.98114533 110.45342618 -32.18738121 Zr 4.25294705 4.26067717 3.05123676 61.15304539 59.57877449 30.63171597 Cu 4.69104769 3.00171938 4.45283623 33.03644779 2.92089994 28.46187000 Zr 2.78353165 4.20072959 4.51229390 22.27755446 83.71549720 47.46438589