108 Lattice="10.442171288669012 0.0 0.0 0.0 10.442171288669012 0.0 0.0 0.0 10.442171288669012" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.5987876209489 stress="-2.914333784386036 1.4294347466868538 -0.7397631858492533 1.4294347466868538 -7.818839470148064 -1.4227275874615941 -0.7397631858492533 -1.4227275874615941 -7.192592554191702" pbc="F F F" Ni -0.02234993 -0.00382052 -0.03037354 0.98299418 0.99108676 0.83713366 Fe 1.75602445 1.74590328 0.02303385 -0.82144415 -0.34692956 -0.15186275 Ni 1.74398270 0.01629420 1.71734086 -0.17143001 0.14438709 0.35426482 Ni 0.02474968 1.75438873 1.76739523 -0.22142217 -0.23394359 -0.45971295 Cu 3.48714927 -0.01388042 0.01948847 -0.07978777 -0.32962481 -0.17094256 Cu 5.21616166 1.76758934 -0.00996880 0.41783241 -0.38918771 -0.59487451 Fe 5.24895319 0.00337045 1.77197796 0.29766436 -0.60876927 -0.93650528 Fe 3.49556171 1.71877312 1.72235076 -0.72123453 0.40511559 0.29870613 Ni 6.97511349 -0.03266254 -0.03095181 -0.17539983 0.84827035 0.92680340 Fe 8.71854912 1.71616180 0.01781429 -0.46142212 -0.35864871 -0.10971660 Cu 8.67739346 0.03374588 1.77420604 0.12797153 -0.33687409 -0.45958505 Ni 6.96207655 1.73694272 1.72916440 -0.22482367 0.28939026 -0.18768822 Fe -0.02004294 3.46906222 0.01392137 0.34510446 0.29614039 0.45662336 Ni 1.74282671 5.23920715 0.03685632 -0.13213688 -0.28664351 -0.10733783 Ni 1.71475552 3.50090233 1.76047144 0.75192865 -0.37976629 -0.31682696 Ni 0.03208631 5.23010838 1.75873298 -0.43833757 -0.26053473 -0.17062294 Fe 3.48903337 3.48648846 -0.01717629 -0.66708909 0.26767236 -0.14348006 Fe 5.21192575 5.21184608 0.03418072 0.27368876 0.27857221 -0.56247931 Ni 5.19334507 3.50383423 1.72511470 0.63657332 -0.25469936 0.27691803 Cu 3.49588636 5.20867208 1.74209467 -0.42145597 0.39963385 -0.16337752 Fe 6.97134946 3.46604393 -0.02282973 -0.28941398 -0.24209811 -0.27788208 Fe 8.69070993 5.19104371 -0.01129060 0.23502493 0.13215295 -0.16821964 Cu 8.69932088 3.47156179 1.72096388 0.79434403 -0.24017718 -0.05002807 Fe 6.99146028 5.20909043 1.72430721 -0.65524244 0.33165114 0.27047106 Ni 0.00062822 6.97776709 0.01487539 0.44467369 -0.33894865 0.26455605 Cu 1.73318073 8.73133185 -0.00435683 -0.12869236 -0.15922267 -0.17239809 Cu 1.71502115 6.94686257 1.75937078 0.26226175 0.21214771 -0.46281613 Fe 0.01826080 8.65467358 1.71533643 -0.04747280 0.24705589 0.37670743 Cu 3.51898394 6.97128264 -0.01216095 -0.02907720 0.01036863 -0.69324495 Ni 5.26038754 8.73195008 -0.01479661 0.13379783 -0.54577977 0.71334122 Ni 5.25478728 6.94928928 1.75955056 -0.07100336 0.00464640 -0.36734200 Cu 3.48053560 8.67437742 1.70578791 0.20608294 0.67716998 0.17911307 Cu 6.98479515 6.96234084 -0.00194133 -0.57533355 0.21942862 -0.70315864 Fe 8.68473510 8.70250527 0.01519119 -0.26953105 0.06945871 0.26359874 Fe 8.70514307 6.97506772 1.72060935 0.30713353 0.13201858 0.21882656 Ni 6.97152024 8.68082590 1.73062467 -0.10744607 -0.07530756 0.14637073 Fe -0.01701851 -0.02040212 3.44619778 0.42595766 0.36100196 -0.44520653 Ni 1.71529667 1.77075335 3.49552673 0.77106547 -0.45971397 -0.16864886 Cu 1.74110636 -0.00586995 5.23059392 -0.18874769 -0.63926253 0.17847210 Cu -0.01038102 1.77410616 5.22028467 -0.52714756 -0.19469342 0.26938338 Fe 3.48308565 -0.00666415 3.48747250 -0.52217339 -0.25917610 -0.32954127 Fe 5.22292336 1.74062240 3.42813160 0.15919058 0.39453829 0.36884998 Fe 5.23401855 -0.02923940 5.24305319 0.13539103 -0.20591602 0.09398810 Cu 3.48273756 1.71441998 5.23376425 -0.13726090 0.18111216 -0.32942410 Cu 6.93366733 -0.00176845 3.44629840 0.17342482 -0.56531712 0.52226304 Cu 8.70920277 1.75487245 3.46459105 0.59232455 -0.10155973 0.18940536 Cu 8.68872555 0.03163702 5.22787099 -0.07978888 -0.05324024 0.24896741 Ni 6.94009842 1.77159392 5.18747180 -0.12894265 -0.71598979 0.14234980 Fe -0.00245976 3.46815645 3.48384911 -0.43384635 0.18019739 -0.62739374 Cu 1.74386932 5.25048660 3.48311171 0.05542251 -0.73242691 -0.11123771 Fe 1.77039901 3.48933546 5.21519852 -0.25807387 -0.19922537 0.28861744 Cu -0.02673897 5.17619845 5.20337995 -0.76342503 0.13460071 0.40971068 Fe 3.49987786 3.51451860 3.46364437 -0.41820007 -0.59230820 -0.17134177 Fe 5.21984360 5.24994754 3.45846608 0.41812947 -0.23634941 0.15842810 Fe 5.23027744 3.45991700 5.24521980 -0.20714534 0.24684846 -0.45263059 Ni 3.50736257 5.20145271 5.21262243 -0.32753698 -0.08646911 -0.14864566 Cu 6.98274267 3.50342410 3.50756470 -0.76793827 -0.40431685 -0.59522240 Fe 8.67507186 5.20241515 3.46065178 0.77667585 0.51384395 0.05272816 Fe 8.68087599 3.45514243 5.19027329 0.78576849 -0.33687858 0.59119337 Fe 6.96975575 5.24479683 5.19310992 -0.35377222 0.14198051 0.47073382 Fe 0.03084467 6.94688364 3.48312646 -0.64323795 0.40427177 -0.10117848 Ni 1.74623657 8.73060614 3.48843938 -0.38578624 -0.42184931 -0.20646963 Cu 1.76477707 6.94182379 5.18719887 -0.17222374 0.39794112 0.71163578 Fe -0.01566868 8.72900349 5.21005435 0.21191639 -0.19100702 0.14845076 Fe 3.45672207 6.95773050 3.48518457 0.28609507 0.17718534 -0.19174860 Cu 5.18885276 8.67386220 3.47181469 0.60706715 0.58836202 -0.13282406 Ni 5.18727167 6.92784132 5.19453042 0.49676735 0.40183899 0.28324944 Cu 3.47889407 8.72994428 5.21651686 0.13069481 0.45047186 0.24338551 Ni 6.99435396 6.95370030 3.49551066 -0.07678084 -0.08871539 -0.58281669 Cu 8.73090724 8.67282610 3.46608742 -0.12009984 0.29633379 0.10519644 Fe 8.67922629 6.98827178 5.24821253 0.43532953 0.28147656 -0.12128828 Ni 6.93045113 8.69585425 5.19919309 0.12202857 -0.18644703 0.12694590 Fe -0.03158615 0.00681595 6.98894620 0.65324540 0.24945186 0.24727983 Ni 1.76896788 1.75217502 6.97888116 -0.29425616 -0.30204922 -0.42857485 Ni 1.73290166 0.02448917 8.71450579 0.23151200 0.42605571 -0.76449956 Cu 0.03324819 1.75514837 8.68419459 -0.30801677 -0.24285961 0.08883841 Ni 3.49509103 0.03461655 6.95376337 -0.08361257 -0.26206645 0.19306142 Cu 5.19871011 1.73554026 6.95364915 0.55241644 -0.13485778 0.31249948 Cu 5.18101088 0.01903967 8.70251964 0.18117301 -0.18424687 0.08285015 Ni 3.50905828 1.73767946 8.68873112 -0.37293354 -0.16373230 -0.01143494 Ni 6.93421829 0.02884340 6.94157643 0.25107137 0.20608478 0.19575468 Ni 8.69977861 1.73472676 6.93720069 -0.32861163 0.30861851 0.28347084 Cu 8.72952620 0.00593959 8.72547579 -0.65293323 0.63860436 -0.65946332 Ni 6.93069986 1.72837226 8.67241473 0.41360342 0.27467537 -0.30924899 Ni 0.02584098 3.46093014 6.95674290 0.32388324 0.52936640 0.10143018 Fe 1.73363575 5.22363730 6.92838905 -0.18240259 0.57404534 0.53591511 Cu 1.73412677 3.43465037 8.72474630 0.26613076 0.26834748 0.55602138 Fe -0.02636612 5.20365586 8.70413500 0.34317628 0.46025155 -0.52609152 Cu 3.48835292 3.45248854 6.95081616 -0.44438401 0.21192133 0.23006696 Cu 5.20388010 5.21455026 6.93141801 0.31064481 0.19510550 0.26767863 Cu 5.18793265 3.49024425 8.73301225 0.32168682 -0.36293314 0.64292258 Fe 3.44914363 5.20384833 8.69573607 -0.45129576 0.62421938 0.18980506 Fe 6.98115381 3.44664264 6.94529110 0.42395771 -0.26504286 0.75776529 Cu 8.73228679 5.19967499 6.94791716 0.55751269 0.16033122 0.32975155 Ni 8.72744042 3.47562957 8.72807397 -0.79103308 -0.44439017 -0.81357608 Cu 6.99615365 5.17205267 8.69176366 0.18197987 0.29243220 0.60441173 Ni -0.01197338 6.98188896 6.95743408 0.43400390 -0.46260783 0.12022584 Cu 1.72758721 8.67699474 6.98401191 -0.09118323 0.44086007 0.08364672 Ni 1.74499904 6.96948751 8.73029323 -0.34298087 -0.58426599 -0.47446135 Ni -0.01150641 8.68120134 8.67436468 0.54819070 -0.68105632 -0.46068172 Ni 3.50939048 6.96707377 6.96313954 -0.64387769 -0.31517485 0.11608157 Ni 5.21403879 8.71311107 6.94904758 0.33806763 -0.22795589 0.03912894 Cu 5.18799110 6.98287573 8.72515602 0.23434962 -0.36356630 0.39952423 Cu 3.47524972 8.66784665 8.73298382 -0.18000679 0.27948074 -0.07921118 Fe 6.92826860 6.99025814 6.94382529 0.31165200 0.27087669 0.20602191 Ni 8.68563082 8.69921838 6.93064654 -0.87026833 -0.51400236 0.30033390 Ni 8.67757208 6.99755340 8.71838715 -0.78075885 -0.12851613 -0.93539082 Fe 6.93469708 8.67619444 8.69568490 0.36129612 0.17824085 -0.46352039