64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=148.76222321068911 stress="-0.0024038602007805175 -0.000381257523853686 0.0003726460632942321 -0.000381257523853686 -0.002586476864887619 -2.1169032053651007e-05 0.0003726460632942321 -2.1169032053651007e-05 -0.0023772520483255222" pbc="F F F" Zr 34.58290937 35.20439626 35.40750899 0.65287299 0.15897820 0.13826203 Ni 36.55607962 36.60603343 36.50949199 71.48244521 -161.33910036 10.01465793 Zr 37.29273725 37.42709151 35.44742274 29.82314538 14.71017554 -53.40481224 Ni 38.44590517 38.73392833 35.42236630 -111.56768996 -52.77138201 42.47439319 Ni 37.58727912 35.42157905 37.96810375 -1.61464795 -1.43684275 0.22474421 Ni 39.21070628 36.50238673 38.58193849 -69.41921579 -162.69016043 130.62309328 Zr 35.76204866 37.63032221 36.75290466 -115.39496570 131.96547393 43.93615153 Ni 36.17472124 38.87898955 38.74663344 35.56859304 -57.39646417 -74.51996516 Zr 39.41898469 35.28698789 34.77139430 -4.18964622 0.38329930 -1.60855752 Zr 41.30299601 35.58418417 36.15850649 -46.01568938 5.19933406 -20.63102559 Zr 42.57460605 36.60211073 34.94128285 11.38211387 10.11409968 -11.86826096 Zr 44.15069931 38.91389243 36.25592154 29.35924835 -28.29987406 -44.90914697 Zr 42.46953175 35.18204038 37.26209961 36.78246659 -13.07054839 37.05167467 Zr 44.13598358 36.22792697 39.34903176 2.97858305 -2.99338844 -2.18814272 Ni 39.59921688 37.38898356 37.87832058 71.06655794 164.30008834 -131.45298088 Zr 42.05209805 38.24811098 38.58301183 -8.38284586 -6.74212494 4.38625243 Ni 35.13375935 39.56561854 35.00789760 0.75408948 -0.39322969 0.60544505 Ni 35.49826943 41.59725482 36.53675225 7.73684452 -11.83902586 -9.07736720 Ni 37.72853506 42.53755216 35.59568553 -35.04603943 -54.17844337 -41.44069517 Ni 38.41640189 43.60102269 36.42670509 23.87420048 63.12248228 37.60718570 Ni 37.27078076 39.75435306 37.56189841 12.07117818 8.92619312 -14.31200326 Zr 38.37460756 41.28686059 38.91724655 -3.82313197 1.89126733 -7.93143507 Ni 34.73786231 42.89508853 37.65357422 -5.86194594 11.39235290 10.06001533 Zr 37.11687508 43.41727089 39.59166975 -3.87793183 12.63449395 -9.09088116 Zr 39.57783301 39.34844081 35.03842997 125.17840439 67.69876707 -41.54235541 Zr 41.02062954 41.59180713 36.43268637 24.16698342 -33.48283598 -7.67174046 Zr 42.53588008 42.59455963 35.56098791 13.54081602 7.62676755 -8.73859784 Ni 43.79942431 44.14223101 36.17402287 0.95107990 1.25625549 1.56626699 Zr 43.35905606 39.66479031 37.45012258 -20.18072435 12.59523349 24.98937649 Zr 43.13056706 41.23522040 38.50277847 -0.16655578 12.81123142 12.30461169 Zr 39.65738978 42.42540639 36.97957853 -29.09170145 13.29279806 18.69450647 Ni 40.90831266 43.44979592 38.40073438 -6.84052089 1.80257694 -2.66343830 Zr 34.96756783 35.49135582 40.34836566 -84.51498428 -80.68115312 -50.53972847 Zr 35.89981165 36.38412559 40.89634390 83.73587732 83.19122165 47.37170084 Ni 37.53144550 37.72731717 39.61966548 -1.81481519 -6.97781013 -4.80434972 Ni 38.58510454 38.59492403 40.98740687 1.26030871 0.03597094 8.25096449 Zr 37.51068003 35.56967703 42.51270000 -41.90743150 -26.20555729 -35.47174514 Zr 38.46418547 36.04757672 43.83132863 1.89279545 -11.77737505 86.22835054 Ni 35.71330791 37.97426462 42.68182766 -1.92328806 -4.50078295 -1.29572109 Zr 36.47410853 39.38821723 44.10152488 -8.47274559 -4.44424213 38.66034043 Ni 40.51813769 34.83676740 39.53374120 0.54709008 -0.10491193 -2.47704191 Ni 40.91337195 35.43013677 41.47042554 -0.74566930 1.70437965 1.11469760 Ni 42.96262330 37.39915706 40.41636561 -35.57597004 -53.52248139 -19.18068457 Ni 43.69286078 38.65060718 40.95321502 31.92103938 55.78802320 23.51686591 Zr 42.69820559 34.97575612 42.57070178 0.50697040 0.01294934 -0.40344228 Ni 43.98729521 36.33223635 43.77568073 0.04599386 1.12017062 0.06860929 Zr 39.12161725 36.73263033 42.52374765 41.34804241 38.89590225 -49.73516997 Zr 41.44382715 38.52730399 43.66495385 0.17493029 0.05636535 -1.70723552 Ni 35.54103971 39.51040240 39.81612871 -49.57923764 50.67201380 86.56087044 Ni 35.55855184 41.49556388 41.70007702 19.46064390 -14.32858264 -27.30864917 Ni 37.47653661 42.01210382 40.65399968 2.45393835 -11.09400301 11.82140653 Ni 39.38238914 43.67343808 41.23331722 -20.56807697 22.06438185 -25.82627506 Ni 36.86395895 39.63694941 42.55933712 12.38475837 8.74031558 -39.34752109 Ni 39.20779533 41.05682223 44.06773966 0.13787392 -0.32827636 -0.89572534 Ni 34.64344555 42.15869124 42.98240951 -19.04460556 14.17011281 28.14753007 Zr 36.24088640 44.11925920 43.84990670 0.58833034 -1.57914415 -1.44950438 Zr 39.64524424 40.19092780 40.48148769 7.50479928 -0.81686956 4.69650641 Ni 41.63283006 41.31614708 41.34407382 -44.41675510 44.68443631 -47.85396842 Zr 42.53553659 43.23022952 39.34277404 3.17336756 8.11588203 7.30357467 Ni 43.89831335 42.98765900 41.06825373 -0.02697056 -0.99947874 1.83004397 Ni 42.49994456 40.47895464 42.23356637 46.23632281 -44.44019401 47.00443553 Zr 43.39986949 42.17391023 43.86015588 -1.16197933 0.12257395 -1.15685903 Zr 40.22115063 42.74893045 42.25226074 15.18787030 -37.99240766 9.68370578 Zr 40.65527714 44.10447639 43.58684360 5.29520610 15.17012258 15.56878758