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=169.56907235730742 stress="-0.0024650714813107604 -0.0003832870290686355 0.0003683364213522681 -0.0003832870290686355 -0.0026531318557556386 -1.3443142934033898e-06 0.0003683364213522681 -1.3443142934033898e-06 -0.002455978068860789" pbc="F F F" Zr 34.58290937 35.20439626 35.40750899 0.56460891 0.14522056 0.07911056 Ni 36.55607962 36.60603343 36.50949199 68.66788448 -162.43209026 13.12968604 Zr 37.29273725 37.42709151 35.44742274 29.21845751 14.19031108 -56.23328223 Ni 38.44590517 38.73392833 35.42236630 -109.07549523 -49.83962317 42.28908909 Ni 37.58727912 35.42157905 37.96810375 -1.83018650 -1.30468489 0.24299483 Ni 39.21070628 36.50238673 38.58193849 -69.07969005 -162.67891517 130.50012354 Zr 35.76204866 37.63032221 36.75290466 -114.26728696 130.87957842 43.87841900 Ni 36.17472124 38.87898955 38.74663344 35.60886772 -57.40687680 -74.53084859 Zr 39.41898469 35.28698789 34.77139430 -4.16357880 0.23753309 -1.88976510 Zr 41.30299601 35.58418417 36.15850649 -46.05167947 5.28580912 -20.41077944 Zr 42.57460605 36.60211073 34.94128285 11.40383853 10.11432798 -11.93611363 Zr 44.15069931 38.91389243 36.25592154 29.38423559 -28.26773849 -44.78962734 Zr 42.46953175 35.18204038 37.26209961 36.80423379 -13.22619506 36.99373920 Zr 44.13598358 36.22792697 39.34903176 4.57667458 -4.38575886 -3.60788293 Ni 39.59921688 37.38898356 37.87832058 71.13203042 164.25805111 -131.54777399 Zr 42.05209805 38.24811098 38.58301183 -8.65948768 -6.60127903 3.76920773 Ni 35.13375935 39.56561854 35.00789760 0.82434657 -0.46044891 0.65413762 Ni 35.49826943 41.59725482 36.53675225 7.49871502 -11.82987252 -9.25970982 Ni 37.72853506 42.53755216 35.59568553 -34.86482488 -54.11788934 -41.45341625 Ni 38.41640189 43.60102269 36.42670509 21.43803704 65.20658085 36.72324061 Ni 37.27078076 39.75435306 37.56189841 12.14368388 8.84577720 -14.39289375 Zr 38.37460756 41.28686059 38.91724655 -2.92936137 1.45648334 -9.27286668 Ni 34.73786231 42.89508853 37.65357422 -5.73197383 11.39931769 10.11951264 Zr 37.11687508 43.41727089 39.59166975 -4.71973204 15.43888113 -11.10624037 Zr 39.57783301 39.34844081 35.03842997 124.87943203 67.48237690 -41.24780924 Zr 41.02062954 41.59180713 36.43268637 24.03066374 -33.38068803 -7.65321781 Zr 42.53588008 42.59455963 35.56098791 12.59784618 6.53684078 -9.14154791 Ni 43.79942431 44.14223101 36.17402287 1.94298838 2.47308330 1.94442812 Zr 43.35905606 39.66479031 37.45012258 -20.19743578 12.71594502 24.88680226 Zr 43.13056706 41.23522040 38.50277847 -0.34715131 13.01826700 12.39926181 Zr 39.65738978 42.42540639 36.97957853 -27.13263054 10.69171062 19.01312843 Ni 40.90831266 43.44979592 38.40073438 -8.59460236 2.45511151 -3.72852597 Zr 34.96756783 35.49135582 40.34836566 -84.54416255 -80.80167701 -50.35126217 Zr 35.89981165 36.38412559 40.89634390 83.82181120 83.56722689 47.24489253 Ni 37.53144550 37.72731717 39.61966548 -1.88553014 -7.05285413 -4.53944994 Ni 38.58510454 38.59492403 40.98740687 -0.10359083 -1.93479048 8.69912694 Zr 37.51068003 35.56967703 42.51270000 -42.03308441 -26.18024417 -35.42179959 Zr 38.46418547 36.04757672 43.83132863 1.94906212 -11.82646679 86.15252177 Ni 35.71330791 37.97426462 42.68182766 -2.25298291 -5.30580136 -2.09481499 Zr 36.47410853 39.38821723 44.10152488 -9.08311144 -4.23301550 43.54974085 Ni 40.51813769 34.83676740 39.53374120 0.54422374 -0.31820120 -2.81537635 Ni 40.91337195 35.43013677 41.47042554 -1.90473438 1.84735525 0.85134069 Ni 42.96262330 37.39915706 40.41636561 -36.79389718 -52.39763138 -17.22457347 Ni 43.69286078 38.65060718 40.95321502 31.92036492 55.70105359 23.40595752 Zr 42.69820559 34.97575612 42.57070178 1.20850511 -0.43336043 -0.08493568 Ni 43.98729521 36.33223635 43.77568073 0.19153197 1.40301527 0.36703195 Zr 39.12161725 36.73263033 42.52374765 41.37099991 38.87896778 -49.80470581 Zr 41.44382715 38.52730399 43.66495385 0.34761764 0.20931881 -1.45366416 Ni 35.54103971 39.51040240 39.81612871 -49.58780079 50.56454593 86.51125475 Ni 35.55855184 41.49556388 41.70007702 19.57180026 -14.37166394 -27.24525744 Ni 37.47653661 42.01210382 40.65399968 2.66731619 -13.28222869 15.24431120 Ni 39.38238914 43.67343808 41.23331722 -22.85877062 24.53871759 -28.59147089 Ni 36.86395895 39.63694941 42.55933712 13.37943040 9.64644584 -43.52918203 Ni 39.20779533 41.05682223 44.06773966 0.13555958 -0.40589599 -0.86226891 Ni 34.64344555 42.15869124 42.98240951 -19.06675884 14.20464037 28.26545196 Zr 36.24088640 44.11925920 43.84990670 0.39667924 -1.69078858 -1.48175814 Zr 39.64524424 40.19092780 40.48148769 8.99455965 1.34015846 4.44863208 Ni 41.63283006 41.31614708 41.34407382 -43.96164903 44.36998636 -48.15026280 Zr 42.53553659 43.23022952 39.34277404 5.36034914 7.78454232 8.30721521 Ni 43.89831335 42.98765900 41.06825373 0.43741067 -1.11302242 2.11711693 Ni 42.49994456 40.47895464 42.23356637 45.98379739 -44.39822518 47.18517025 Zr 43.39986949 42.17391023 43.86015588 -1.21589270 0.09464488 -1.43196324 Zr 40.22115063 42.74893045 42.25226074 16.90971843 -40.44499456 12.69585427 Zr 40.65527714 44.10447639 43.58684360 5.02980070 15.14109631 15.61654628