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=135.8730897037694 stress="-905.4201375698976 -307.96465605100866 -83.86934724233583 -307.96465605100866 -892.0434082519765 -90.00516470971706 -83.86934724233583 -90.00516470971706 -611.4973474650537" pbc="F F F" Ni 0.30277427 0.20820117 -0.05995536 -1.66062228 -1.87092139 -4.19616631 Ni 0.94462019 0.93308864 1.65944301 -21.90153414 1.88300486 -48.41271716 Ni 3.03854814 2.94397089 -0.16593988 -6.94583086 -7.09486244 -3.89766273 Zr 4.18422795 4.16506771 0.64047455 5.30480554 2.37420242 2.41335865 Ni 2.37143723 0.38481867 2.05449475 55.26942930 -21.01371586 14.79388012 Ni 3.66522523 1.14984503 3.84336547 0.84255956 -1.17833872 -2.69314007 Zr 0.05349892 1.54843862 2.76735445 -31.30167092 21.86720771 37.44800708 Zr 1.74583240 3.66164541 3.74749858 -14.25287645 -4.63142777 -1.15711354 Ni 4.91302643 -0.03481135 0.00592154 -6.33601039 -3.68469715 -9.71210958 Zr 5.79421214 0.59222831 1.48360583 7.66086512 2.97814329 10.05502421 Ni 7.94545128 2.09050921 0.36722452 -1.18043770 -2.37427893 -0.66646985 Ni 8.34921688 3.63898356 1.62832058 97.72332918 -54.83660049 -46.52703627 Ni 8.35759867 0.18785039 3.27761324 -15.61243266 -34.24200399 3.59918594 Ni 9.02318051 1.74499783 3.10965179 13.58842244 35.55630614 -4.01271300 Zr 4.65846123 2.58601105 2.38646773 -1.67914151 -1.88115291 -1.06367315 Zr 6.07437770 3.29220907 4.19758804 31.30168720 -68.68113860 -31.40287454 Zr 0.23780597 5.62542779 0.32115461 -46.12727509 -41.98208317 -51.26294526 Zr 1.10297878 6.41012443 1.31189841 32.31916852 40.68361465 61.01209861 Zr 2.77411540 6.62534488 0.06110662 10.70083555 1.46002906 -11.75086274 Ni 2.89740290 8.74136330 0.70570728 -0.05588894 0.84123131 0.86076349 Zr 2.91945808 5.11876467 2.95661874 -141.20519037 -152.95871291 -76.45540441 Zr 3.71959328 6.00512234 3.33435622 141.78442403 160.11791689 81.59568029 Ni -0.00781747 7.67945966 3.13331559 -26.09090682 -16.82765668 -14.77838144 Ni 1.30914806 8.49507839 3.89879173 25.79758819 15.58644246 14.30261792 Ni 4.82959918 5.93748312 0.16622157 3.15088924 4.26296367 -4.22594155 Ni 6.68113249 5.77564792 1.33901493 -5.63948802 18.46898464 -9.19957309 Zr 7.17393238 7.88913515 -0.37494288 -1.16697793 -0.89850470 0.80025257 Zr 8.80809268 9.02677983 1.35264719 -0.71317786 -0.61364021 1.16401629 Ni 7.26661973 4.27078970 2.16868085 -90.46872125 38.05759942 58.78596627 Zr 8.68399453 6.81992473 3.87110477 -1.10213371 0.00820566 -0.93048916 Zr 4.72636179 7.15019932 1.89914448 9.58337075 11.88073862 -8.19956267 Zr 6.05689783 9.22773561 3.79499310 0.16284657 -0.34265805 -0.23789357 Zr -0.16489546 -0.15507597 4.73740687 0.37738556 -0.60565250 -0.04396143 Zr 1.26068003 1.81967703 6.26270000 -38.66150187 -7.54682725 40.61885356 Zr 2.36415287 2.05851240 5.08132863 39.58167278 -0.33390424 -31.63754254 Zr 3.99411463 3.84252850 6.60981781 -10.31714473 24.30309184 -16.09088517 Zr 2.72208229 0.63642527 8.46455191 -109.30902730 -81.21900883 -10.02363792 Zr 3.83517944 1.46081200 8.57467618 67.68735807 26.93851802 62.98800418 Ni -0.04925068 1.91657545 8.05004867 -0.61255279 -0.79894974 0.54172457 Zr 1.29314425 3.64949606 8.92857807 -2.15363986 -2.68066384 3.94815046 Ni 4.98272681 0.01550958 4.97413426 1.36165058 -1.43173910 0.63146034 Ni 5.71914391 1.82455308 6.02375656 1.28655119 -1.98553865 -0.47690864 Ni 7.52392839 2.77907522 5.41251581 -80.42859681 -78.82508611 -86.41306044 Ni 8.29587726 3.46968342 6.21763330 86.45467463 76.81149033 90.08223488 Ni 7.70274081 0.17957359 7.08739750 -1.00856949 1.08293379 -0.73008516 Ni 8.79399765 1.25745072 8.72262732 -0.42949707 1.02051453 -0.19060738 Zr 4.56037196 2.41245106 7.63870796 49.33260855 30.39284101 -32.69253724 Ni 6.94125808 3.37428961 8.49060476 2.56642496 -18.35625320 10.86889686 Zr -0.32327275 5.20381777 4.93091477 0.97872282 1.05325798 0.13274880 Ni 1.10241224 5.84992420 7.01455227 -33.60416433 33.95416675 -19.05281859 Ni 2.77527694 7.65124986 5.25306836 -39.43307319 -40.34405869 -50.84144034 Ni 3.56443900 8.42670380 6.28229395 37.99976251 41.25995320 49.94488159 Ni 2.18385831 4.79540602 7.62142309 35.35739145 -29.40786040 15.19162035 Zr 3.97545767 6.43503807 8.56772421 -28.16636866 -31.16444436 33.95375509 Zr -0.11619082 8.05528199 8.06268262 -4.39619589 -4.88113216 0.14000448 Ni 1.41747487 9.20238874 7.84197400 6.29165071 3.01462973 -1.35958632 Zr 5.48307592 4.59500813 4.72386368 -30.57962383 69.42802194 25.83936679 Zr 6.43246295 6.38452702 6.04823767 -3.32437220 -9.15114612 -2.25794464 Ni 6.87326742 7.94075194 5.40701841 5.18055159 17.71051259 -6.88034873 Ni 8.73161889 9.15142006 6.24770837 -0.57347910 -0.70807155 -0.42229626 Zr 6.75600633 4.80934900 7.53332586 0.96974901 8.92556680 -1.68382333 Ni 9.02615796 6.38946538 9.03126530 -1.12008702 0.07087246 -0.73339488 Zr 4.80829075 7.40153947 7.51414967 13.21695364 26.99761049 -33.60119527 Zr 6.77565432 8.10374147 8.01897900 13.72488182 5.56215846 4.20225096