500 Lattice="17.31757843897875 0.0 0.0 0.0 17.31757843897875 0.0 0.0 0.0 17.31757843897875" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1911.6679291039793 stress="-45.762314126554955 -4.301375652615647 2.1082072746098746 -4.301375652615647 -34.745647961016886 -0.7446042447113328 2.1082072746098746 -0.7446042447113328 -55.70064130450102" pbc="F F F" Ni 0.02119403 -0.02438616 -0.00456602 0.44356867 0.92319604 0.82141463 Ni 1.76010259 1.72415638 0.02487960 -0.29809635 0.18871587 -0.40957441 Fe 1.69751248 0.00390154 1.70721057 0.49802946 -0.13622055 0.44169456 Fe -0.01518851 1.76377243 1.76146951 -0.28293016 -0.42150068 -0.67734040 Fe 3.48088409 0.02119348 0.00996103 -0.23183488 -0.29187357 -0.23829590 Fe 5.16972241 1.74444493 0.02749230 0.63010914 -0.16928938 -1.04710249 Fe 5.20027311 0.02275138 1.71597985 0.10550331 -0.59303919 0.22963040 Ni 3.47431052 1.73833531 1.73567122 -0.51459966 0.02690096 0.29495581 Ni 6.89711923 -0.01731686 -0.00653646 0.19053318 0.86618325 0.58609684 Fe 8.63977565 1.75319330 -0.00859551 -0.07319548 -0.10637534 -0.41513539 Fe 8.63881382 -0.01477403 1.75291042 0.13437793 -0.18164245 -0.33005694 Fe 6.94896621 1.73903753 1.69188203 -0.29368205 0.42468170 0.18358641 Fe 10.38462709 0.03394471 0.02823672 0.03901546 -0.28116760 -0.13355853 Ni 12.08853090 1.72605483 0.01998200 0.66797411 0.29508054 -0.22865536 Ni 12.11884161 0.00501162 1.72682572 0.36417288 -0.31923082 0.15143377 Ni 10.41894914 1.74115131 1.74986280 -0.78707527 -0.12523811 -0.29600205 Ni 13.88702457 -0.01230894 0.01242154 -0.18735964 0.58515393 0.40095432 Ni 15.61963724 1.70805486 -0.01978738 -0.91799640 0.24039627 0.61947767 Ni 15.59346780 -0.02485874 1.69910312 -0.55760363 0.73581730 0.31065891 Fe 13.87133511 1.69899259 1.72672363 0.09851756 -0.02291081 -0.49425999 Ni 0.02533761 3.45871972 0.00024906 0.08416111 -0.28445764 0.17270397 Ni 1.74049127 5.20043808 -0.02622987 -0.00944475 -0.21932265 0.22139357 Fe 1.70915406 3.43683111 1.69733913 0.43703275 0.87576583 0.44227211 Ni 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15.57700812 5.18610508 0.01753130 -0.59826954 -0.34196976 0.21968024 Ni 15.54897856 3.40924232 1.71455219 0.47423626 0.41164087 0.20750105 Fe 13.86229048 5.15337562 1.72971925 -0.02805506 0.31322003 -0.31425774 Fe 0.00990536 6.92351763 -0.00063608 -0.02005452 -0.09599972 0.11590501 Fe 1.70923536 8.67643458 0.02387026 0.63213920 -0.18860722 -0.39120718 Ni 1.74498572 6.93560400 1.71003711 -0.20307937 -0.12024637 0.32310311 Ni -0.01302432 8.66808810 1.72049580 -0.01134198 -0.11917354 0.45431715 Ni 3.49350201 6.93479228 -0.03264358 -0.20975810 0.55186302 0.15127622 Fe 5.23250657 8.64815026 0.00627986 -0.47794547 0.79881374 -0.35894759 Fe 5.17825633 6.91270684 1.74777869 0.04211287 0.38805450 -0.09694053 Fe 3.46132389 8.63668499 1.76192464 0.30129929 0.26681493 -0.26031294 Ni 6.87818440 6.94685483 -0.03197264 0.40798146 -0.41952207 0.44559309 Ni 8.67170081 8.64982162 -0.02103907 -0.15606744 -0.41350150 0.16439490 Fe 8.65412301 6.91135919 1.70511823 -0.24691330 0.37402060 -0.33503904 Fe 6.93249688 8.66533895 1.74842093 -0.06393091 0.36684842 -0.79002124 Fe 10.40131606 6.89737413 -0.02392780 0.00428416 0.15720380 -0.54822982 Ni 12.12586429 8.64804002 0.02185075 0.13265688 0.21488847 0.04111607 Fe 12.12491769 6.94299343 1.69805264 -0.20351096 -0.48211572 0.35611621 Fe 10.37048344 8.67112251 1.72013391 0.45727283 0.03194642 -0.06996319 Fe 13.87238362 6.91628764 -0.01308661 -0.54061453 -0.45104559 -0.64642982 Fe 15.56413347 8.63510336 0.00512426 0.21448642 0.35022336 -0.55055716 Fe 15.58216058 6.91933879 1.68328089 0.74805063 0.06332155 0.35216420 Fe 13.88522588 8.65531704 1.75989356 -0.99666873 0.30532111 -0.47541629 Fe 0.02345119 10.37049734 -0.01884699 -0.12685360 0.38611811 0.35792211 Ni 1.71870550 12.10646596 -0.00975025 0.25269038 0.19052258 -0.01758175 Ni 1.79711519 10.40994526 1.71323528 -0.62946472 -0.26106664 0.55599343 Ni 0.00789466 12.15081113 1.73718338 0.10895233 -0.23446709 -0.01469102 Ni 3.48591942 10.36763173 0.00134080 -0.04122541 -0.23226964 -0.09020281 Ni 5.17722307 12.09539981 0.00683261 0.35428383 0.26040116 -0.38929263 Ni 5.18385484 10.38084115 1.74888361 0.29421802 -0.22397092 -0.11224067 Fe 3.49541700 12.14525591 1.70887618 -0.65582748 -0.53207268 0.27845464 Ni 6.96140380 10.42285596 0.01753642 -0.41897483 -0.60406797 -0.16355457 Ni 8.69216760 12.11927348 0.01674297 -0.27974509 0.32167057 -0.51759704 Ni 8.67482154 10.38711937 1.70775062 -0.34609647 -0.09725840 0.84399307 Ni 6.95312945 12.16399456 1.70488914 -0.18976095 -0.42083316 0.95938017 Ni 10.36392535 10.36463557 -0.00864267 0.57362334 0.32513761 0.00784089 Ni 12.12148649 12.09563645 0.00951121 -0.07114361 0.19138031 -0.14553862 Fe 12.14587798 10.41569499 1.74373672 -0.38636944 -0.39871062 -0.38596120 Fe 10.36378178 12.12106716 1.73780238 0.65112403 -0.51407175 -0.22631011 Ni 13.85275729 10.41504836 0.02883510 0.15888168 -0.56813994 -0.33964164 Ni 15.56008804 12.18351084 0.02286724 0.08795324 -0.45293091 0.15627001 Fe 15.60184011 10.37564391 1.69919272 0.36889611 0.94261023 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0.03558667 0.42734902 Ni 15.56289291 12.09654971 3.48407408 0.33166118 0.29758211 -0.29632190 Ni 15.57995578 10.35953536 5.20460327 0.13436795 0.40177232 0.29896639 Fe 13.83749135 12.12860935 5.21953046 0.48865466 -0.43584831 -0.32794274 Ni 0.00606563 13.85120508 3.47216266 0.30389401 0.05729667 -0.09049535 Ni 1.74219690 15.61553906 3.48888601 -0.38099443 -0.04821719 -0.32536669 Fe 1.77114790 13.85599713 5.16442675 -0.51481304 0.75582812 0.24344093 Ni -0.01753093 15.61913649 5.19682011 0.73820624 -0.96399347 0.15796031 Ni 3.49161523 13.88739760 3.45953564 -0.49039212 -0.64060304 -0.45189744 Fe 5.21926232 15.58268696 3.46994267 -0.36061562 0.53058523 -0.48404931 Ni 5.18145462 13.88203294 5.21629803 0.52911475 -0.80035452 -0.53233396 Fe 3.42722065 15.56021135 5.19487507 0.21080054 0.49952229 0.39863234 Fe 6.94005425 13.87411844 3.45278515 -0.62076902 -0.61898620 -0.22445011 Ni 8.61343153 15.59751107 3.49222471 0.34887577 -0.03990726 -0.54122933 Fe 8.63301581 13.86519945 5.18142056 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10.39045045 0.41434967 0.32972957 -0.08157135 Fe 5.23065112 15.58794646 10.36817656 -0.54990516 -0.17214243 0.82335459 Ni 5.19690527 13.87926726 12.14223633 -0.15813067 -0.28115534 -0.42732701 Ni 3.43378272 15.61768637 12.14131152 0.53568121 -0.07618256 -0.28785328 Ni 6.93155018 13.84624660 10.39758400 0.01040660 -0.07351011 0.12442183 Fe 8.68380240 15.55435220 10.41366988 -0.84047367 0.47906525 -0.50034352 Fe 8.64102734 13.87621254 12.14813161 0.17574823 -1.03004592 0.50560406 Ni 6.96156651 15.57453973 12.14285795 -0.57701205 0.60881284 -0.40629919 Fe 10.35796485 13.82305835 10.37288628 0.70479443 -0.30550015 0.00074648 Fe 12.12830195 15.57133525 10.36080083 0.08040526 0.18555132 -0.50102602 Fe 12.14877123 13.87802851 12.13704671 -0.24910979 -1.24271989 -0.22738869 Fe 10.40210341 15.55621168 12.10461153 -0.19975784 0.57939808 0.62153520 Ni 13.88359642 13.88176621 10.36983775 -0.62096817 -0.05823525 0.30859544 Fe 15.61083816 15.58758212 10.36645781 -0.17515590 -0.14022460 -0.01992960 Ni 15.57401939 13.84049885 12.10381068 0.01666971 0.73167290 0.62145791 Fe 13.82597702 15.60198429 12.10732950 0.78729934 0.22580760 0.33920293 Fe 0.02174481 -0.02566737 13.84400782 -0.35059728 0.10304528 0.30739020 Fe 1.70229860 1.74136126 13.86578368 1.15103453 0.22963218 -0.21763165 Fe 1.72097845 0.00031105 15.59309739 0.23249055 0.26384987 0.13319621 Ni 0.01631642 1.74085045 15.56139228 0.32979065 -0.26076049 -0.15323849 Ni 3.43057395 -0.00562156 13.87134700 0.12833587 0.27476001 -0.21577630 Fe 5.17969740 1.73089350 13.87695594 -0.09213769 -0.67369521 -0.55818285 Ni 5.18520328 -0.01207575 15.56089379 0.16418512 0.57189695 -0.41909574 Ni 3.46883311 1.75533755 15.60828540 -0.66667139 -0.07305469 -0.24447323 Ni 6.94162260 0.01139388 13.82295094 -0.52120895 -0.13952826 0.22369447 Fe 8.62982160 1.71697979 13.84010819 0.31418425 0.59889129 0.43698184 Fe 8.65758225 0.01890019 15.57849068 -0.03678391 -0.15535435 0.23932217 Fe 6.90871595 1.72802234 15.55441143 -0.12180743 0.12557881 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-0.36811870 0.75993178 -0.47291610 Ni 5.19111431 3.44171087 15.55779790 0.45145960 0.27909304 0.63040360 Ni 3.47565226 5.18402425 15.60019344 -0.19957719 -0.09764586 0.16523567 Ni 6.94842967 3.48502071 13.84566584 -0.21132092 -0.39270173 0.20377982 Fe 8.69066579 5.21090552 13.87352609 -0.38987480 0.44869295 -0.20233995 Ni 8.68423917 3.48283523 15.59869746 -0.31247862 -0.14969953 -0.14069521 Fe 6.91675457 5.20892150 15.58638332 -0.05852847 -0.18374782 0.33139272 Fe 10.35731384 3.47129798 13.82059740 0.85676627 -0.43927064 0.91263264 Ni 12.09078888 5.18838578 13.84667559 0.59724834 -0.35477345 -0.02675091 Ni 12.12348064 3.43600779 15.59791274 -0.29545657 0.34171232 -0.03377894 Fe 10.40134581 5.21141890 15.61035487 0.21879989 0.24751988 0.19878116 Fe 13.81201044 3.43599733 13.88385059 0.59085224 0.59982271 -0.29513013 Fe 15.61892808 5.21853061 13.82162236 0.09939881 -0.50728948 0.85900304 Ni 15.61813114 3.43123941 15.55743306 -0.54445693 0.49429333 -0.61656527 Ni 13.86428487 5.21457084 15.58493718 0.25825875 -0.53229276 -0.20230551 Fe 0.02965703 6.91633995 13.82805681 -0.28032994 0.17938673 0.63030787 Fe 1.70919643 8.68388394 13.86862842 0.60421746 0.01559745 0.49537185 Ni 1.75316951 6.96824091 15.55777849 -0.39223696 -0.25649990 0.34782000 Ni -0.03211275 8.66851843 15.55859300 0.55692571 -0.26948360 -0.40790234 Ni 3.46128742 6.92376702 13.87467381 0.11098579 0.05393032 -0.92008483 Fe 5.22415725 8.64831689 13.82416160 -0.35443941 -0.42897706 0.90253132 Ni 5.18256454 6.92331396 15.58558933 0.40526258 0.10203049 0.08334645 Ni 3.49996658 8.63905825 15.59999073 -0.22437966 0.47987054 -0.32970877 Ni 6.95860377 6.90194068 13.83661928 -0.61752076 0.18972537 -0.12866192 Ni 8.64436060 8.68006963 13.88328010 0.47970405 -0.49226109 -0.70644209 Ni 8.62613845 6.94047868 15.56797712 0.55199058 -0.47980881 0.46823570 Fe 6.93017713 8.63218909 15.59892689 -0.49157055 -0.16696484 0.28714390 Ni 10.43300640 6.96121934 13.87619934 -0.61431712 -0.42244860 -0.09577377 Ni 12.15496718 8.68349620 13.87157641 -0.64599354 -0.25881322 -0.50171246 Ni 12.15567591 6.91938421 15.60998658 -0.14500323 -0.06566248 -0.02633972 Ni 10.37808261 8.65242641 15.57796223 0.40215001 0.55596485 0.30525249 Fe 13.87483645 6.94399398 13.88735116 -0.64427031 -0.44409232 -0.53080638 Ni 15.61780017 8.64131052 13.86488890 -0.26776475 0.44278674 -0.64520510 Ni 15.56389016 6.94012865 15.58105370 0.01319151 -0.29601436 -0.24913056 Ni 13.87072738 8.65763610 15.55819553 -0.06462191 0.37087747 0.71961345 Ni 0.02989081 10.36450528 13.85614703 -0.61861375 0.50939223 0.03899872 Ni 1.71789942 12.09661034 13.84056466 0.64787416 0.36862725 0.13387984 Ni 1.75866636 10.41402230 15.60431474 -0.23086561 -0.79613968 -0.03771747 Fe 0.03356677 12.12757616 15.59180696 -0.16404504 -0.47478267 -0.04715077 Fe 3.45114169 10.36755735 13.83246756 0.06929891 0.33376127 0.46810000 Ni 5.21948960 12.13861602 13.83322490 -0.53091992 -0.18657433 0.31190259 Ni 5.22033866 10.38129936 15.61395822 -0.31017672 -0.22923587 -0.53283570 Fe 3.45027482 12.08670616 15.57926565 0.37669223 0.09936319 0.12583841 Fe 6.95135094 10.37110305 13.82484376 -0.67333259 0.46821474 0.15055317 Ni 8.63725711 12.09311189 13.88715877 0.28860896 0.72919638 -0.23082773 Fe 8.62597601 10.36496480 15.57209494 0.46918788 0.05788942 0.83673367 Fe 6.90765225 12.08895428 15.58282748 0.28104069 0.51930601 0.46727660 Fe 10.37738010 10.38856890 13.82859828 0.42704921 -0.28610356 0.38734925 Ni 12.11275197 12.14011722 13.86779044 -0.27234784 -0.57289056 -0.61857101 Fe 12.15107563 10.41782868 15.56170827 -0.17896744 -0.51402261 0.66250764 Fe 10.40821840 12.11185461 15.61833546 -0.35713699 0.51984407 -0.00747366 Fe 13.84231037 10.39042749 13.88251514 0.96652349 0.24411753 -0.35072548 Ni 15.61876347 12.10644485 13.86711428 -0.17502888 0.10853423 -0.03890265 Ni 15.61497975 10.36469447 15.57904715 -0.52281818 -0.00204174 -0.42055298 Ni 13.86056260 12.11964391 15.55203884 0.46301496 0.11305330 0.53314915 Fe 0.03292178 13.84085933 13.83404577 -0.75585137 0.23240371 0.36202304 Fe 1.75282756 15.55871300 13.82936121 -0.31167797 0.98891187 0.87354672 Fe 1.71241089 13.85579435 15.59248848 0.32369766 0.39497197 0.42512429 Ni 0.03410040 15.61023175 15.57582197 0.85966788 -0.85113610 -0.94237593 Fe 3.43588872 13.86002327 13.82166410 0.35929465 -0.32519005 0.29708819 Fe 5.21387239 15.58977701 13.85751471 -0.29674572 0.61201695 -0.38897528 Fe 5.17682490 13.82758690 15.58950387 -0.20332479 0.12255730 0.35917809 Ni 3.49224314 15.57547514 15.55672198 -0.44744709 -0.54045590 -0.54073314 Fe 6.94153617 13.88433360 13.85757590 0.01975959 -0.93878523 -0.24482809 Ni 8.63485848 15.60775197 13.88107736 0.30562163 0.22650918 -0.39549671 Ni 8.68085017 13.86743026 15.55172609 -0.23111834 -0.38677254 0.54829881 Fe 6.92916370 15.56354669 15.60624625 0.25592999 0.14464283 0.27177376 Ni 10.38755058 13.88048914 13.87826706 0.12552581 -0.30046005 -0.44731581 Fe 12.10710493 15.60925865 13.87069262 0.04613405 0.19729071 0.61134329 Ni 12.13997246 13.82346499 15.59073090 -0.28812787 0.60236764 0.17761691 Ni 10.35969190 15.61148864 15.54225528 0.47719658 -0.17998587 0.00418975 Fe 13.82440288 13.82180922 13.84835455 1.06119201 0.70621673 0.45404544 Ni 15.56543322 15.59038283 13.85809193 -0.87933114 -0.85121034 -0.08744173 Fe 15.61366519 13.85587858 15.58488001 -0.56404006 0.20201983 -0.38894910 Ni 13.80936779 15.61167921 15.58354253 0.21034610 -0.89788491 -0.66059056