864 Lattice="20.80155962585747 0.0 0.0 0.0 20.80155962585747 0.0 0.0 0.0 20.80155962585747" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3364.808457463515 stress="-78.65820440755985 -0.9476276572384279 6.424272469280993 -0.9476276572384279 -87.39915700359848 -5.160876660830809 6.424272469280993 -5.160876660830809 -82.69107550804489" pbc="F F F" Ni 0.01599492 0.00916858 0.03444741 0.57168242 0.72096055 0.81654447 Ni 1.74693534 1.73227354 0.00882393 -0.18984372 -0.18540617 -0.06040425 Fe 1.74378576 0.03183734 1.74661149 -0.57133225 -0.55911649 -0.29174033 Fe -0.02302735 1.77125876 1.71810417 -0.07580395 -0.00933601 -0.06537671 Fe 3.49376817 -0.02027742 -0.00410333 -0.17157709 0.33257039 -0.07771456 Ni 5.18936601 1.73275882 0.04174877 0.24288165 -0.19210464 -0.43323027 Fe 5.18621018 0.01282855 1.75298247 0.74141280 -0.30719184 -0.26927673 Ni 3.46266348 1.72453061 1.71753369 0.09264383 0.12091262 0.37848712 Ni 6.96986423 -0.03107440 -0.02108949 -0.24714357 0.47653040 0.81599599 Ni 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0.43742222 -0.03965815 0.63938298 Fe 15.59313958 17.33374744 8.68529225 -0.50658093 0.21873723 -0.26747546 Ni 13.87903039 19.03863081 8.68731707 -0.15846227 0.17710950 -0.25195602 Fe 17.32371896 17.32358387 6.95291416 0.38226363 0.01937663 -0.31686142 Fe 19.09586239 19.07477303 6.91039426 0.10459518 -0.16282246 0.23567045 Ni 19.09170425 17.35755379 8.67493922 -0.54508030 -0.05368593 -0.07522613 Fe 17.28778787 19.05871489 8.68123030 0.28824125 0.41372468 -0.38439117 Ni 0.03103212 0.01732478 10.37170628 0.19890389 0.12635788 0.21531775 Ni 1.73766291 1.72340934 10.37290056 0.01009545 0.24945831 0.46775545 Ni 1.71548650 0.02282852 12.16641193 0.18651327 -0.27146098 -0.52180013 Ni 0.03396613 1.76406346 12.12971951 -0.40604602 -0.25502575 -0.32336489 Fe 3.45548456 0.00493399 10.39620265 -0.49022270 -0.61580380 0.60037331 Fe 5.17581081 1.71280071 10.39559858 0.33729147 0.78751579 0.62603211 Ni 5.19922525 0.01417149 12.16003715 0.22667711 -0.36560815 -0.19699455 Ni 3.49509078 1.70369081 12.11958301 -0.86544367 0.30414569 0.25354900 Fe 6.90568931 -0.02190537 10.39060338 0.41186097 -0.12153766 0.69254787 Ni 8.68253282 1.73601633 10.42919223 -0.29828023 0.25193187 -0.83398524 Ni 8.63421814 0.01117617 12.15667309 0.23272355 -0.36596190 -0.40141471 Ni 6.92957170 1.70225602 12.16878864 -0.29619102 0.69575912 -0.55572355 Fe 10.41117927 0.02990181 10.41877421 -0.45438893 -0.68821687 0.33959626 Ni 12.11209245 1.76203457 10.40481231 1.16297516 -0.37681309 -0.03018949 Fe 12.13776899 -0.01516119 12.15419258 0.30999020 -0.05220550 -0.31368487 Ni 10.42803932 1.71811538 12.11848784 -0.42173510 0.65419500 0.69948023 Fe 13.88962066 0.01803948 10.40404690 -0.42023803 -0.24752872 0.47527558 Fe 15.57677669 1.75036625 10.38410603 0.31345313 0.36202565 0.86533656 Fe 15.61228279 0.00830361 12.16578824 0.20256390 -0.50590930 -0.15659730 Ni 13.89423490 1.73763521 12.16383705 -0.38760804 -0.24850807 -0.44195570 Fe 17.32640563 0.02574700 10.36797482 0.59283943 -0.82212134 0.43778968 Fe 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10.37664585 0.43678734 0.07065591 0.20046995 Ni 19.08136639 13.87311609 12.13828590 -0.10301172 0.07542617 0.04269599 Ni 17.34953616 15.60323376 12.14561689 -0.50371828 -0.43286093 -0.23623123 Ni 0.02254121 17.34918850 10.39875639 -0.33245768 -0.37332415 0.47390779 Fe 1.70689543 19.06843326 10.40329118 0.51177837 0.79640520 0.32487064 Fe 1.72645919 17.33715166 12.12100178 0.17500709 0.37388797 0.32748749 Ni 0.01697969 19.07233433 12.15422925 0.57573450 -0.39276659 0.07930482 Fe 3.47147037 17.31508096 10.41793474 0.16254141 0.53737177 -0.28250579 Fe 5.17836131 19.06907146 10.40723132 0.25960958 0.41944380 -0.14497635 Fe 5.22051551 17.36048230 12.13248070 -0.47600293 0.10404159 1.01266516 Ni 3.48550950 19.08000773 12.15618988 -0.55671551 -0.23709840 -0.47193507 Fe 6.92750775 17.30927173 10.38825725 0.13745330 0.31706099 -0.45874576 Fe 8.64740352 19.04327861 10.39950335 -0.40153041 0.50803922 0.11174581 Ni 8.63314385 17.30419869 12.12230111 0.61117131 0.26234851 0.00315646 Ni 6.93281466 19.04677344 12.13901280 -0.16682616 0.29576048 -0.31103360 Fe 10.38409967 17.36627633 10.40115424 -0.08624665 -1.57676713 0.16484023 Fe 12.14352915 19.04433635 10.41708945 0.20398587 0.66436641 -0.44576746 Ni 12.13913720 17.36024427 12.11391001 -0.21202229 -0.63275490 0.25301897 Fe 10.38615785 19.05006678 12.13461358 -0.32801053 0.40593526 0.36357667 Ni 13.89133219 17.33569372 10.40536420 -0.23188953 -0.67075016 0.03491917 Ni 15.61130689 19.03527888 10.41010412 0.15096840 0.45247974 -0.10597249 Fe 15.62443214 17.35131890 12.12248211 -0.43007222 -0.75125935 0.62793179 Fe 13.87741413 19.08261038 12.10251808 0.27037745 0.18972939 0.39892337 Fe 17.32683696 17.28722355 10.40210309 0.27130452 0.25038394 -0.25042720 Fe 19.03978483 19.07243999 10.40406614 0.28572720 0.12589173 -0.14806877 Fe 19.04685385 17.32028325 12.12988141 0.77782171 0.39242672 0.19703091 Fe 17.32060169 19.03855482 12.12317805 0.24182725 0.86223608 0.43963991 Ni 0.00481905 -0.02345114 13.86650935 0.44041976 0.62937760 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-0.33853694 Ni 19.09457291 13.85548296 19.07640906 -0.76764388 -0.22108287 -0.50463373 Fe 17.34913938 15.59508015 19.03946152 0.28245467 0.08835535 0.93346693 Ni -0.02547169 17.35963222 17.36138238 0.40675081 -0.20349344 -0.19398298 Fe 1.73378632 19.04742629 17.33254484 -0.85345498 -0.10366111 0.21909123 Ni 1.76195428 17.31882277 19.10195910 -0.30036858 0.14572532 -0.18253357 Ni -0.00592187 19.06157982 19.08230816 0.80327192 -0.56582707 -0.83098104 Ni 3.44082146 17.33100295 17.30756627 0.44486043 -0.62133580 0.51695467 Fe 5.18974531 19.07815730 17.33852918 0.60007384 0.02555965 0.30817020 Ni 5.21155480 17.32974379 19.08720416 -0.00674991 -0.07585101 -0.27869990 Fe 3.49759823 19.02981194 19.04110336 -0.22413323 -0.00572910 0.23877636 Ni 6.94522189 17.36516537 17.30171948 -0.34851159 -0.45554541 1.02459938 Fe 8.68256630 19.05527286 17.30509603 -0.46661107 0.40324493 0.35452830 Fe 8.69605736 17.34031491 19.07353886 -0.37638599 0.12095668 0.22304527 Ni 6.94397244 19.09726981 19.03422945 0.17467957 -0.56321820 -0.59158726 Ni 10.41748054 17.30206036 17.34567638 -0.65403743 0.32990528 -0.35323808 Ni 12.15458351 19.07592582 17.30038267 -0.60857153 -0.11768466 0.56894343 Fe 12.09524668 17.31461606 19.08309060 0.48635228 -0.34935979 -0.11265661 Fe 10.42794603 19.04788538 19.08488983 0.16242173 0.23651460 -0.28720801 Ni 13.86782409 17.33634522 17.33606976 -0.46483765 -0.51803901 0.32635877 Ni 15.57210054 19.03952102 17.30408064 0.51409043 0.52043922 0.13798032 Ni 15.62333677 17.33440512 19.05799614 -0.17808736 -0.22034385 0.37234734 Fe 13.88268339 19.08247382 19.04728128 -0.03180604 -0.23351066 -0.24587163 Fe 17.30520084 17.30680996 17.34888200 0.78347046 0.06570894 -0.00573138 Ni 19.04916232 19.04140671 17.30644655 -0.25162920 -0.58580701 0.24608208 Ni 19.08065645 17.33450258 19.08705385 -1.03381204 -0.07186822 -0.71478864 Fe 17.31659741 19.06892699 19.00344991 0.27535061 -0.15169480 -0.11971475