64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=167.59276958934797 stress="-1016.8026797071575 -376.67535260785553 -258.80725124731634 -376.67535260785553 -893.0245475349298 -154.35282859272615 -258.80725124731634 -154.35282859272615 -618.3905568796933" pbc="F F F" Ni 0.30277427 0.20820117 -0.05995536 -0.44259348 -0.04229533 -0.45597943 Ni 1.22986859 0.97117080 1.65944301 -18.45139627 16.94507778 -13.18323965 Ni 2.63737571 2.83022859 0.02352265 -5.74331540 -5.60381969 -2.15755973 Zr 3.80057471 4.16769224 0.88816422 3.26938895 4.77327858 -2.85940981 Ni 2.42421834 -0.13461298 2.25176527 1.20601009 -60.25389205 -12.16031739 Ni 3.10095818 1.13322828 3.01845383 20.45899148 38.26643779 24.23373751 Zr 0.05349892 2.35361582 2.46179051 -26.92115745 -13.68503978 -6.02505966 Zr 1.46380228 3.42826500 2.97259064 15.56502611 9.52402622 7.26961908 Ni 5.78459947 -0.05705925 0.00592154 -2.37095796 -4.76101022 -6.21896341 Zr 6.35057939 1.07961581 1.48360583 -22.02546058 22.79445657 -17.53416990 Ni 7.98831635 2.83633809 -0.29653783 -0.84523170 -0.90308886 -0.35199062 Ni 8.34921688 3.63898356 1.62832058 97.30768825 -56.96648800 -47.03851873 Ni 7.46295302 0.35081550 2.42632798 26.26201950 -17.99205412 22.97533957 Ni 9.02318051 1.74499783 3.10965179 -0.69131277 1.38941221 0.33563592 Zr 4.65846123 2.58601105 2.38646773 -0.30860837 -3.76303154 0.99541675 Zr 6.07437770 3.29220907 4.19758804 29.59933630 -68.04852601 -32.93914393 Zr 0.23780597 5.62542779 0.32115461 -46.32566173 -42.26568124 -51.23301308 Zr 1.10297878 6.41012443 1.31189841 32.09380840 40.82699493 61.14715629 Zr 2.77411540 6.62534488 0.06110662 9.90960476 1.83443149 -12.27734032 Ni 2.89740290 8.74136330 0.70570728 -0.10062392 1.32562805 0.94089926 Zr 2.91945808 5.11876467 2.95661874 -145.43605261 -157.42382215 -66.83890389 Zr 3.71959328 6.00512234 3.33435622 141.53446988 159.82968476 82.01841479 Ni -0.00781747 7.67945966 3.13331559 -26.21188322 -16.82480749 -14.71763886 Ni 1.30914806 8.49507839 3.89879173 25.66833715 15.80764959 14.09701517 Ni 4.82959918 5.93748312 0.16622157 3.30460598 -0.31799625 -4.26149537 Ni 6.68113249 5.77564792 1.33901493 -5.57688137 18.43765148 -9.37075446 Zr 7.17393238 7.88913515 -0.37494288 -1.22547233 -1.01868356 0.73065684 Zr 8.80809268 9.02677983 1.35264719 -0.62422790 -0.44887987 1.17402358 Ni 7.26661973 4.27078970 2.16868085 -90.49346494 37.64423938 58.89292230 Zr 8.68399453 6.81992473 3.87110477 -1.25525813 0.10787355 -0.96411372 Zr 4.72636179 7.15019932 1.89914448 9.68115014 12.56984725 -7.37111038 Zr 6.05689783 9.22773561 3.79499310 0.05261166 -0.03259588 -0.49811085 Zr -0.16489546 -0.15507597 4.73740687 0.90044622 0.60418922 -1.22813060 Zr 1.26068003 1.81967703 6.26270000 -38.22827011 -7.23843284 39.77477167 Zr 2.36415287 2.05851240 5.08132863 39.14075873 6.77394835 -41.07770830 Zr 3.99411463 3.84252850 6.60981781 -10.82692476 24.78687566 -15.62608661 Zr 2.72208229 0.63642527 8.46455191 -109.40405430 -81.21875101 -10.00603610 Zr 3.83517944 1.46081200 8.57467618 67.76421774 26.89862150 62.95905609 Ni -0.04925068 1.91657545 8.05004867 -0.89114117 -0.75898630 1.19457212 Zr 1.29314425 3.64949606 8.92857807 -8.85828042 -11.26471958 10.86444404 Ni 4.98272681 0.01550958 4.97413426 -0.53262703 0.20355389 -1.00584236 Ni 5.71914391 1.82455308 6.02375656 2.31504929 -2.09406900 -1.53562059 Ni 7.52392839 2.77907522 5.41251581 -78.53558025 -79.37065820 -84.66516085 Ni 8.29587726 3.46968342 6.21763330 86.34927524 76.92591859 90.09714854 Ni 7.70274081 0.17957359 7.08739750 -0.94080632 1.06146325 -0.66818032 Ni 8.79399765 1.25745072 8.72262732 -0.35997524 0.87936610 -0.15896398 Zr 4.56037196 2.41245106 7.63870796 48.18745568 31.11394946 -31.48833135 Ni 6.94125808 3.37428961 8.49060476 3.04661561 -21.61427557 13.11484854 Zr -0.32327275 5.20381777 4.93091477 1.39276042 0.60317644 -0.38966593 Ni 1.10241224 5.84992420 7.01455227 -20.47418263 20.74600810 -16.19207703 Ni 2.77527694 7.65124986 5.25306836 -39.53382536 -40.11677394 -50.79656325 Ni 3.56443900 8.42670380 6.28229395 34.31361573 42.44485563 46.62909701 Ni 2.18385831 4.79540602 7.87324320 27.53010100 -10.27288373 4.37791593 Zr 3.39052473 6.45678183 8.56772421 -7.44632424 -4.19723630 5.74004475 Zr -0.11619082 8.05528199 8.06268262 -6.73382257 -6.59043012 0.62148836 Ni 1.41747487 9.20238874 7.84197400 8.55452760 4.72363994 -1.59988776 Zr 5.48307592 4.59500813 4.72386368 -30.34206648 69.13611898 25.89227703 Zr 6.43246295 6.38452702 6.04823767 -5.30442618 -11.95813799 0.38491146 Ni 6.87326742 7.94075194 5.40701841 6.45652175 20.97771357 -7.34361024 Ni 8.73161889 9.15142006 6.24770837 -0.89810050 -0.97515774 -0.50984755 Zr 6.75600633 4.80934900 7.53332586 0.41111785 12.44220938 -4.05049204 Ni 9.02615796 6.38946538 9.03126530 -1.37015960 -0.13404937 -0.85128905 Zr 4.87544232 7.72646619 7.54031516 -122.85589256 -35.64756199 -69.71619019 Zr 6.03183783 8.07196503 8.14301785 136.31050833 41.40553802 70.90510467