500 Lattice="17.445911005735017 0.0 0.0 0.0 17.445911005735017 0.0 0.0 0.0 17.445911005735017" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.8677546725098 stress="-0.00930827195227968 -0.0002769739191426619 0.000761360080106964 -0.0002769739191426619 -0.009184972851676652 0.0002341567944956654 0.000761360080106964 0.0002341567944956654 -0.009375833083445001" free_energy=-1996.8677546725098 pbc="F F F" Ni 0.00748777 0.01407333 0.02379756 0.21954800 0.17652242 0.27484180 Ni 1.74550898 1.72693399 0.03179913 0.18950612 0.17084984 -0.41099303 Ni 1.73049333 0.00033050 1.76432079 0.48015476 -0.20615876 -0.16448963 Ni 0.02972329 1.75396892 1.72759736 -0.32192110 0.29049992 0.47016146 Ni 3.51925682 0.02612190 0.02974443 -0.51269870 -0.27430914 -0.30586556 Ni 5.23205816 1.75188381 0.01521553 0.24097714 0.22860438 -0.51976237 Ni 5.23477189 0.01937430 1.71007853 0.27075222 -0.30713710 0.67734105 Ni 3.50811691 1.73324485 1.71246540 -0.32298022 0.28384950 0.72695478 Ni 7.00583599 0.00533626 0.02191739 -0.20243607 -0.07178158 -0.08473741 Ni 8.70260974 1.73534803 0.02228158 0.08881647 0.45726293 -0.32592926 Ni 8.72894988 0.01875022 1.75262702 -0.23725807 -0.27465138 0.29128817 Ni 6.95168992 1.76558248 1.72032331 0.43437519 -0.07575945 0.49852170 Ni 10.46414661 0.03309790 0.03231284 0.12757450 -0.25096723 -0.23465648 Ni 12.21574424 1.76333229 0.02731373 -0.11606880 0.13212146 -0.21171008 Ni 12.22977599 0.02656803 1.76371749 0.00368465 -0.31903327 0.13649696 Ni 10.45466974 1.71413019 1.73421072 0.18672562 0.78618262 0.33189862 Ni 13.93769361 0.00986651 0.00318813 -0.01191705 0.07337154 0.10059912 Ni 15.69741427 1.75549255 0.00160207 -0.08540564 0.14894553 0.18846159 Ni 15.70441958 0.00896550 1.77774897 -0.06525881 0.04509158 -0.12888568 Ni 13.96487715 1.73062053 1.73092953 0.00826606 0.46872424 0.34706393 Ni 0.03275859 3.50878266 0.02358401 -0.05207678 -0.27279437 -0.14902018 Ni 1.74132188 5.25254942 0.03106151 0.31441586 -0.15961702 -0.56607355 Ni 1.77057433 3.49502707 1.72746272 -0.13019727 -0.26424749 0.46882276 Ni 0.03224159 5.22037294 1.75143804 -0.34843802 0.22837953 0.22213215 Ni 3.47463491 3.45439964 0.02496917 0.14150710 0.27879945 -0.49077497 Ni 5.22682147 5.24451501 0.00376372 -0.23059338 -0.08638043 -0.14577197 Ni 5.24342816 3.47821094 1.76609499 -0.43000933 0.16496550 -0.23780029 Ni 3.47840802 5.19972191 1.73584823 0.24708359 0.39045437 0.29954798 Ni 6.95431957 3.51291849 0.00357205 0.24534825 -0.28476435 -0.32838756 Ni 8.73207673 5.25127367 0.00481396 -0.34778721 0.03026492 -0.10453200 Ni 8.74201511 3.49776160 1.72270234 -0.35399328 -0.17774830 0.58448835 Ni 6.97050760 5.20802862 1.71148973 0.12701545 0.37506258 0.42300128 Ni 10.43536999 3.51430313 0.03445317 0.42344205 -0.29050238 -0.43187153 Ni 12.23963052 5.23706722 0.00934611 -0.25410553 -0.05875919 -0.37544940 Ni 12.19471902 3.51381436 1.74573759 0.22573446 -0.31549396 0.09827076 Ni 10.47493101 5.23528381 1.77241011 -0.21923155 0.05678255 -0.17710451 Ni 13.94489305 3.47499496 0.03014003 0.13738110 0.12754344 -0.11671817 Ni 15.72759508 5.20201046 0.01351766 -0.32204437 0.15433154 0.05483128 Ni 15.73259865 3.50776508 1.75710054 -0.19064169 -0.27201908 0.22698077 Ni 13.92802214 5.26053762 1.73910638 0.58374650 -0.25645019 0.23981559 Ni 0.00897461 6.99309469 0.01378545 -0.18757288 -0.16726787 -0.03850719 Ni 1.71200073 8.72218133 0.00362787 0.67669231 -0.06530833 -0.13786962 Ni 1.72288567 6.95606618 1.73005694 0.48796394 0.39133692 0.55873449 Ni 0.01252212 8.72963276 1.74418069 -0.29749330 -0.31972107 0.30211907 Ni 3.47454129 6.98926440 0.00238105 -0.09986065 -0.11490405 -0.16509836 Ni 5.20172393 8.73123431 0.00837007 0.34164818 0.04692912 -0.39715877 Ni 5.22804441 7.00437950 1.71994190 0.05950106 -0.53141660 0.40764485 Ni 3.51682888 8.70918048 1.72667624 -0.69254439 0.21878418 0.41393436 Ni 6.95418587 7.00538775 0.00143218 0.10807059 -0.25551165 -0.14941735 Ni 8.70799899 8.68852229 0.00310223 0.10922114 0.42025833 -0.15244408 Ni 8.70391313 6.99718110 1.76617424 0.12121441 -0.30237307 -0.20770579 Ni 6.95812058 8.72049903 1.75598633 0.38262150 0.14770509 -0.04515388 Ni 10.44118039 6.95252680 0.00760138 0.25825747 0.09139693 -0.15517953 Ni 12.17907877 8.72523945 0.03371334 0.36873797 -0.25270409 -0.48923476 Ni 12.20164463 6.94907137 1.72287364 0.04188392 0.55297466 0.41314132 Ni 10.44420691 8.71830690 1.71342261 0.26904418 -0.19992844 0.38332991 Ni 13.97249762 7.00268436 0.02645711 -0.14912313 -0.16120735 -0.33026472 Ni 15.72643107 8.70566049 0.00137505 -0.17988783 0.29891882 0.16607983 Ni 15.72722579 6.97771037 1.72852218 -0.01621715 -0.01803031 0.33836083 Ni 13.93260582 8.71720816 1.75168517 0.13915170 -0.00698244 0.09211881 Ni 0.01493939 10.44140732 0.02426866 -0.33754375 0.24977084 -0.27348845 Ni 1.71548067 12.21856859 0.02500971 0.79482466 -0.03502401 -0.60159546 Ni 1.72346599 10.48253780 1.71275942 0.50861657 -0.24971848 0.57620117 Ni 0.01959485 12.23154960 1.71104449 -0.40985046 -0.24572148 0.90433503 Ni 3.49110448 10.46278024 0.02762390 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1.77081988 0.38593088 -0.21670597 -0.22320385 Ni 13.97326572 12.25736526 1.73242496 -0.37882627 -0.32197205 0.50591846 Ni 0.00387770 13.92246654 0.02931357 0.06770905 0.52414719 -0.14593469 Ni 1.77417189 15.72629014 0.00352247 -0.14458486 -0.34156543 0.15174966 Ni 1.77839677 13.93167696 1.73738336 -0.20823240 0.49447738 0.34096837 Ni 0.00855427 15.69366679 1.77135965 0.19586455 -0.20550505 -0.08118664 Ni 3.51508084 13.98627714 0.03352020 -0.30914641 -0.77097168 -0.32567590 Ni 5.20513773 15.69591745 0.01704627 0.39745213 0.21512664 -0.13130069 Ni 5.25886132 13.98310947 1.73901485 -0.17564351 -0.44056623 0.45805821 Ni 3.48258684 15.71005306 1.72794638 -0.12325270 0.17103462 0.74161751 Ni 6.99420521 13.96466466 0.02245457 -0.01360887 -0.12910842 -0.15754474 Ni 8.70965070 15.72954037 0.00734661 0.17923991 -0.23204847 0.07278194 Ni 8.72277753 13.97735948 1.76041350 0.08038140 -0.23075404 -0.12415192 Ni 6.97703068 15.73461838 1.74712687 -0.02514079 0.08889280 0.12303232 Ni 10.48087547 13.93621093 0.02380140 -0.42790820 0.03492852 -0.23886805 Ni 12.19635132 15.64935652 0.00190974 0.40152885 0.17131962 0.06206706 Ni 12.20017486 13.94079444 1.74914032 0.29208893 0.13255476 0.48582664 Ni 10.47210332 15.68451565 1.72610815 -0.16693458 0.18450166 0.45470202 Ni 13.93004961 13.93664406 0.00796742 0.17685114 0.15552893 -0.13898120 Ni 15.66996983 15.67446821 0.00295342 -0.36712401 -0.26078641 0.22091008 Ni 15.70324739 13.98573774 1.75707033 0.16436870 -0.34715219 0.09651945 Ni 13.97589687 15.70223790 1.78349525 -0.49164502 0.01089090 -0.22092836 Ni 0.03065801 0.02198507 3.46583421 -0.25863825 -0.12067955 -0.21560088 Ni 1.77635781 1.75719288 3.46880400 -0.29625523 -0.09349770 -0.14045728 Ni 1.72814388 0.00078025 5.20138562 0.53631180 -0.09669578 0.17736268 Ni 0.00479979 1.72807932 5.17859941 0.00057201 0.55665962 0.21730634 Ni 3.48614853 0.01310843 3.46071704 0.14868439 -0.09450207 0.12230283 Ni 5.22712745 1.76796899 3.48281774 -0.10446993 -0.32549308 0.05720311 Ni 5.24095928 0.04485274 5.24467468 -0.07338603 -0.15076488 -0.07012831 Ni 3.46578999 1.74673307 5.25407776 0.16370391 -0.30598001 -0.24559230 Ni 6.97507075 0.01282311 3.48474767 -0.05198178 0.00231237 -0.15910405 Ni 8.73915324 1.74661207 3.49876630 -0.14102879 0.24236004 -0.15356449 Ni 8.70015034 0.01207910 5.26131755 0.14165327 -0.26665184 -0.21714041 Ni 6.99930325 1.77837094 5.20503208 -0.35310287 -0.22955108 0.28794132 Ni 10.46635647 0.03226347 3.48765110 0.16545384 -0.27246506 0.21093472 Ni 12.22152666 1.77740759 3.46315663 0.18055990 -0.34471888 0.14780349 Ni 12.27078759 0.00961260 5.24301582 -0.28211117 -0.23946419 -0.24522662 Ni 10.49529507 1.72707091 5.27159948 -0.15543050 0.22012920 -0.38704921 Ni 13.99079492 0.03086824 3.50194627 -0.73764888 -0.26923327 -0.26629715 Ni 15.68043871 1.73759333 3.49533952 0.25888727 0.62468503 -0.11905181 Ni 15.67427039 0.01927476 5.20883126 0.18027558 -0.24304987 0.16842863 Ni 13.94812044 1.76380588 5.26438910 0.30763378 0.04813000 -0.64251738 Ni 0.01669685 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3.47696588 5.20940197 -0.26049857 0.20146300 0.28363504 Ni 10.47886794 5.23574362 5.26783373 0.17558021 -0.17913221 -0.35102804 Ni 13.95595320 3.51241545 3.48994310 0.08381200 -0.17790300 -0.38993395 Ni 15.70772767 5.24822472 3.49103047 0.05084664 0.15638340 -0.11392889 Ni 15.69405247 3.50807734 5.20098528 0.11721734 -0.21512351 0.24583192 Ni 13.94925018 5.25418389 5.24141044 0.47177719 -0.39076970 -0.21216723 Ni 0.01848050 6.95946445 3.50858946 -0.25968266 0.19906496 -0.43295756 Ni 1.73579010 8.75224701 3.47432918 0.33406318 -0.37596106 -0.07154604 Ni 1.72600222 6.99178447 5.20652653 0.58023333 -0.16237917 0.20163242 Ni 0.00088583 8.71072651 5.24649351 -0.12614637 0.29286794 -0.41085351 Ni 3.50700538 6.97144852 3.48598703 -0.25737977 0.13794224 -0.28579925 Ni 5.26137588 8.74932396 3.46983719 -0.13913697 -0.47153164 0.05713272 Ni 5.20789674 6.94620545 5.23024512 0.32100169 0.38107907 0.08446273 Ni 3.50600453 8.75557831 5.20197390 -0.15767984 -0.58325652 0.22212106 Ni 6.99674726 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10.48281918 5.25444396 -0.40146041 -0.06617724 -0.27412278 Ni 0.03043735 12.22875064 5.24603543 -0.26232355 -0.38602376 -0.22299882 Ni 3.52083510 10.43693422 3.49241677 -0.51222228 0.28714280 -0.48424656 Ni 5.21826231 12.18506904 3.52358767 0.26713997 0.35633628 -0.90393551 Ni 5.25618210 10.45145792 5.22503079 -0.13962895 0.06281335 0.31168898 Ni 3.49824917 12.18501587 5.20980320 -0.28256350 0.26886988 0.48418752 Ni 6.99993647 10.48429323 3.51144047 -0.21428671 -0.19014941 -0.63823469 Ni 8.75306454 12.17998907 3.49544177 -0.40182138 0.46405670 -0.36998509 Ni 8.69026651 10.48319567 5.21424537 0.39614057 -0.35262495 0.38558952 Ni 6.97117282 12.22216599 5.19970170 -0.04501286 0.20333153 0.42842535 Ni 10.48937947 10.43998049 3.46360694 -0.08475854 0.21888804 0.20194042 Ni 12.24111866 12.18424309 3.50065488 -0.17450292 0.57472535 -0.40005268 Ni 12.18996865 10.50010286 5.20984317 0.17757867 -0.31409089 0.39087594 Ni 10.43622347 12.22603372 5.21384811 0.37423270 -0.14987143 0.38189248 Ni 13.97667399 10.49465406 3.46972168 -0.37469570 -0.19477471 0.07508680 Ni 15.73364635 12.19070876 3.45992830 0.01296736 0.38063783 0.15770696 Ni 15.70881835 10.43563887 5.22405370 0.09704926 0.53975863 0.11911305 Ni 13.97007342 12.23658356 5.22052987 0.13134440 -0.26537627 0.22207169 Ni 0.00914007 13.95359017 3.49357258 -0.22176679 -0.27566725 -0.14439898 Ni 1.71131383 15.67606171 3.50969253 0.74602301 0.23987514 -0.40226456 Ni 1.72589311 13.96290165 5.23467587 0.47965446 -0.24734158 -0.06958958 Ni 0.02608876 15.73513865 5.22721486 -0.12977608 -0.15543443 0.20170744 Ni 3.51773143 13.98473643 3.51521488 -0.50917846 -0.33263154 -0.68954932 Ni 5.22258404 15.73119228 3.50078072 0.32343987 0.03006460 -0.14892898 Ni 5.20736460 13.92857222 5.20159014 0.65237242 0.37372916 0.61115649 Ni 3.49776081 15.68357919 5.22523928 -0.18653333 0.29729896 0.19705868 Ni 7.00623949 13.96778180 3.45956224 -0.52499136 -0.12507353 0.11475804 Ni 8.69958501 15.70981640 3.51701739 0.34956016 0.19579394 -0.20390018 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