500 Lattice="18.077295589129754 0.0 0.0 0.0 18.077295589129754 0.0 0.0 0.0 18.077295589129754" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1937.7677992941024 stress="-0.003265715694960617 0.00041579461936988116 -0.0012511669606925081 0.00041579461936988116 -0.0032807266586020807 0.0002103669010903044 -0.0012511669606925081 0.0002103669010903044 -0.005380524668767569" free_energy=-1937.7677992941024 pbc="F F F" Ni 0.02996588 0.01815549 0.02334324 0.67174529 0.67826760 0.35197672 Ni 1.84086517 1.77886466 0.00181861 -0.16744575 0.54746891 0.38756977 Al 1.83785785 0.01218455 1.80512587 -0.59131263 -0.36378849 0.78828527 Al 0.03508498 1.84331382 1.80039274 -0.36373487 -0.48420593 0.82464488 Al 3.58498926 0.00883287 0.03351479 0.05903152 0.21418213 -0.98682115 Ni 5.43794897 1.83860297 0.01579798 -0.26687613 -0.28849309 0.08262489 Al 5.39863566 0.02902033 1.77609888 0.26517489 -1.03176420 0.69696841 Al 3.65157113 1.81391229 1.79970720 -0.69648281 0.25795796 0.17786425 Al 7.26078206 0.03283842 0.00162286 -0.11943303 0.20134624 -0.92082723 Ni 9.06596687 1.80189048 0.00862576 -0.14272092 0.12873777 0.38239115 Al 9.01328320 0.02948212 1.80338222 0.28356469 -0.98157630 0.71432765 Al 7.19923710 1.78771726 1.79995860 -0.13837916 0.79462803 -0.63486201 Al 10.84924453 0.03052717 0.01396510 0.65962482 0.16555616 -0.26412332 Ni 12.69597009 1.82293557 0.01889974 -0.09139388 0.00065919 0.41026715 Ni 12.65845873 0.00218929 1.83010027 0.16907916 0.27352389 -0.20481778 Al 10.87920875 1.81630922 1.80033440 0.73882477 -0.26175598 -0.30818185 Ni 14.47278559 0.00531690 0.00608441 -0.14640083 0.71553937 0.57497867 Ni 16.29587981 1.84337004 0.03429610 -0.39871284 -0.08537493 0.37504323 Ni 16.28023060 0.01404101 1.79571250 -0.49155750 0.61205316 0.30144453 Al 14.49586031 1.84195410 1.77420109 0.26579022 -0.63622105 -0.37216599 Al 0.01731614 3.62034546 0.01732537 -0.14516929 -0.21619605 -0.26990620 Al 1.79650193 5.41872991 0.02571632 0.33858270 1.06707433 -0.38435719 Al 1.84600588 3.60998472 1.79269045 -0.40321396 -0.50032996 0.75581004 Ni 0.02756309 5.37742694 1.86709050 0.39871744 -0.00149990 -0.32172741 Al 3.62288778 3.64782347 0.00505240 0.14373133 -0.92531200 -0.65943692 Al 5.42062072 5.42715943 0.02328990 -0.11108598 0.36629531 -0.18100991 Ni 5.40907940 3.57032781 1.78283078 0.23892891 0.15582598 0.37885711 Ni 3.64340651 5.36505164 1.84280938 -0.35838536 0.40654552 -0.30590910 Ni 7.20698338 3.64030668 0.00453569 0.29488327 -0.38120495 0.29694404 Ni 9.03723796 5.45409578 0.00802883 -0.16466134 -0.35792276 0.28999322 Al 9.02070426 3.59407179 1.78097106 0.21767009 0.70273872 -0.64528381 Al 7.22289899 5.39074749 1.82159715 -0.47559298 0.47023014 0.02885725 Al 10.87263559 3.63888410 0.00181409 0.36081567 0.04838903 -0.36792902 Ni 12.62779333 5.39833136 0.01941192 0.62790488 0.18373045 0.30071829 Ni 12.70978496 3.59927625 1.84610571 -0.22620620 -0.13456187 -0.22161913 Ni 10.86795591 5.44643752 1.81635162 -0.42068837 -0.57002796 0.04346894 Al 14.49269221 3.63175013 0.00807223 -0.35876817 0.31364432 0.02483913 Ni 16.27050241 5.41702161 0.01890518 -0.43345527 0.08374733 0.46984402 Ni 16.27899917 3.62587333 1.80674236 -0.20880676 -0.05305823 0.18804320 Ni 14.49039424 5.39278120 1.83819934 -0.09186658 0.16598551 -0.23174022 Ni 0.00087519 7.21067046 0.02723943 0.53196191 -0.05062808 0.59031553 Al 1.83813858 9.03075687 0.02432307 -0.56558778 -0.55166880 -0.47161874 Al 1.84231133 7.22752037 1.79242147 -0.61519697 0.17146187 0.26359693 Ni 0.01211663 9.05987408 1.80889257 0.44279788 -0.24392857 -0.10177366 Ni 3.64686135 7.24839701 0.01730987 -0.41373734 -0.45408078 0.33352108 Ni 5.37472563 9.00354491 0.00338563 0.20103299 0.27751550 0.08316429 Ni 5.44768170 7.19872086 1.80450271 -0.12536034 0.25640216 0.13319755 Ni 3.61572616 9.02084957 1.78541258 -0.20486736 0.40165669 0.41566933 Ni 7.19993151 7.21688001 0.01212001 0.21430861 0.15633923 0.11851263 Ni 9.06932190 9.09744387 0.00705851 -0.05201526 -0.13147037 0.33013143 Al 8.99166109 7.20534410 1.77830910 0.21224691 0.31999688 -0.62368500 Ni 7.22699523 9.02967418 1.77594718 0.17491170 0.16922304 0.33131815 Ni 10.82453704 7.20506737 0.02293188 0.09546630 0.20337425 0.08734600 Al 12.66364577 9.01094085 0.01202778 -0.06132300 -0.89416908 -0.47062780 Ni 12.63046687 7.21640879 1.77504561 0.34563105 0.22806849 0.38912039 Ni 10.82638908 9.01445739 1.82165994 0.25646360 0.38194699 -0.31899844 Ni 14.50184163 7.25111690 0.00520224 -0.24371200 -0.39739336 0.44658514 Ni 16.23698930 9.05535826 0.01483618 -0.48328226 0.05651671 0.43947005 Ni 16.26635405 7.23530620 1.81191772 -0.34523346 0.00207790 0.06382979 Al 14.45848663 9.04954716 1.83389732 0.72276906 -1.43216807 -0.55119516 Ni 0.02370931 10.84656803 0.03522079 0.45501089 0.06480537 0.29640338 Ni 1.77322772 12.65266110 0.01455350 0.16654012 0.28695138 0.26358158 Al 1.81431565 10.87414348 1.77447439 -0.27406761 -0.33391333 0.25089717 Ni 0.01258415 12.62409977 1.77459218 0.25397138 0.58049629 0.46235116 Al 3.58439647 10.86555372 0.00441830 1.03092978 0.44387307 -0.02376518 Ni 5.41079262 12.66793153 0.00416001 0.22873154 0.02365216 0.38769093 Ni 5.43847681 10.81285819 1.84371523 -0.22825488 0.40664918 -0.32442871 Ni 3.59509864 12.62703574 1.80272458 0.19135287 0.42963459 0.48416901 Al 7.24761536 10.86963474 0.02386432 -1.22490206 -1.04199454 -0.50834201 Al 9.04953752 12.64627777 0.00816543 -0.06325465 0.89605250 -0.71958799 Al 9.06366980 10.87623501 1.81184300 -0.14350091 -0.81971005 0.98527206 Al 7.19878556 12.65406273 1.80461473 -0.22092978 0.21532973 1.24427978 Al 10.85250553 10.87479086 0.02228612 -0.32849946 -0.99466024 -1.03826745 Al 12.66130838 12.65792458 0.01207574 0.76925266 -0.20409146 -1.43268925 Al 12.62932454 10.83752747 1.78577877 -0.07093386 -0.35723243 0.45263507 Al 10.88130522 12.67818777 1.81393686 -1.21338623 0.77314878 1.49487027 Ni 14.41415702 10.82006695 0.02698421 0.15053735 0.33478700 0.38582845 Ni 16.24828099 12.65380918 0.01473975 -0.62997615 0.24627423 0.31146691 Al 16.26662646 10.88294228 1.80591691 0.88169909 -0.08987671 -0.44637025 Al 14.46691799 12.67901709 1.83444473 0.62362894 -0.33720894 -0.46269477 Al 0.00695897 14.44356857 0.02664353 0.30601523 -0.76312166 -0.27311640 Ni 1.86255348 16.23473669 0.02793443 0.03500052 -0.48396328 0.50585567 Al 1.80171062 14.47241324 1.85171876 1.11897300 -0.36623775 -0.15157319 Al 0.02489696 16.27781431 1.77745953 0.45385494 0.81262314 0.39147787 Al 3.65152828 14.42912606 0.03362649 -0.98603950 -0.55494417 -0.39785883 Al 5.42166736 16.25632554 0.03270455 0.04053319 0.83834618 0.22621776 Al 5.44422549 14.46587953 1.83261482 -0.70552909 -0.56860110 0.93275543 Ni 3.63535822 16.25298491 1.81109840 -0.24239937 -0.35048692 0.12409952 Al 7.24948590 14.48952565 0.03474377 0.21711993 0.00175724 -0.57056183 Ni 8.98956224 16.24632648 0.03305465 0.11928953 -0.29614614 0.47215406 Ni 8.98032716 14.48444114 1.83711779 0.48752406 -0.60509464 -0.27208395 Ni 7.24565148 16.29209917 1.81423213 -0.37844756 -0.32965505 0.00253294 Al 10.82865094 14.44416893 0.03171911 -0.49219928 0.97565037 -0.92584721 Ni 12.64936687 16.27561559 0.00995242 0.09113555 -0.55663315 0.59449592 Al 12.68586961 14.46111821 1.78076106 -0.25241584 0.43029286 0.27493576 Al 10.81857887 16.25425569 1.81838688 -0.36471584 0.42325697 -0.63108778 Al 14.45476358 14.48684289 0.00496467 -0.20500274 -0.33121123 -1.47684860 Al 16.27118622 16.24388140 0.00882577 0.33272106 0.41009223 -0.36159523 Al 16.23682413 14.48026810 1.77776762 1.32905849 -1.14430711 0.53466493 Al 14.43414515 16.27517571 1.77360743 -0.47997360 1.36668904 0.00630440 Ni 0.03351377 0.00196255 3.65126091 0.40397403 0.42832081 -0.38790182 Ni 1.78806249 1.78754931 3.65031482 0.36145520 0.24983170 -0.53917209 Al 1.78281123 0.00898384 5.45131149 0.61586856 -0.45455767 -1.21146901 Al 0.03327558 1.78567199 5.43352372 -0.72374620 0.55895252 -0.99618527 Ni 3.61912485 0.03514076 3.55618496 -0.26969406 0.25567538 0.27791834 Al 5.43552330 1.79145600 3.62679451 -0.50240505 -0.24601108 0.35239888 Ni 5.40164860 0.02332395 5.39205271 0.04044262 0.10488322 0.25173493 Ni 3.61387563 1.84171031 5.42922268 -0.38523836 -0.30499254 0.03400045 Ni 7.25049114 0.02566901 3.61390798 -0.17092411 0.25138146 -0.40405668 Al 9.07369460 1.78821232 3.63143054 -0.06070244 -0.09672094 -0.03266902 Al 9.01522559 0.00052367 5.43034483 -0.25019521 -1.57161443 -0.47570121 Al 7.23761823 1.79688845 5.40191707 -0.94783561 -0.28304418 0.74476390 Ni 10.87158495 0.02206221 3.62089414 -0.18094596 0.23153350 -0.19311255 Al 12.68577920 1.75039914 3.58308900 0.34365910 0.20381952 -0.30977812 Al 12.62634458 0.03410281 5.44317795 0.50725396 -0.85735637 -0.26725455 Al 10.86390829 1.78823022 5.43242706 -0.24963010 0.27749267 -0.20928365 Al 14.49011487 0.03487643 3.64941049 0.35445527 -0.40032795 -0.82424016 Ni 16.28807982 1.85074749 3.60725903 -0.44745219 -0.29662203 0.14063664 Al 16.28989238 0.00987421 5.42216569 0.37552912 0.18476765 -0.61485587 Ni 14.52002032 1.78761854 5.44989347 -0.47885897 0.16406413 -0.32549390 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12.63118186 3.62336513 5.44081236 1.62029710 -0.36884719 0.63724097 Ni 10.81462007 5.43865913 5.45490749 0.55386655 -0.15271136 -0.43115079 Al 14.46983242 3.60321421 3.64318736 0.82799644 -0.00136845 -0.61128450 Ni 16.27319379 5.38978030 3.64873090 -0.41363935 0.12882748 -0.15471021 Al 16.26792443 3.60539146 5.45554064 0.09653032 0.28863579 0.03441821 Ni 14.48685392 5.42951227 5.43153312 -0.47717638 -0.36512768 -0.02977688 Ni 0.00836061 7.21860817 3.60731699 0.40169928 0.09771836 -0.24376462 Ni 1.77600140 9.01394044 3.60305308 0.52191678 0.30947978 -0.25928261 Ni 1.80111885 7.22292945 5.39429999 0.25590429 -0.01929931 0.11552095 Ni 0.00107563 9.01759034 5.41564127 0.31434972 -0.02370716 0.34855665 Al 3.63822776 7.25707765 3.59025591 0.39940805 0.24638434 -0.55485454 Ni 5.39516505 9.05847405 3.65868974 0.33642493 -0.25992786 -0.22367699 Ni 5.46951023 7.21543262 5.41900991 -0.54130774 0.50337568 0.28689233 Al 3.61072082 9.01175868 5.45186428 -0.86914292 -0.32489063 -0.22477151 Ni 7.25165793 7.23086572 3.61540090 -0.03072189 0.24437910 -0.31470319 Al 9.06533924 9.05357296 3.58081458 -0.34306359 0.32061728 -0.28313893 Al 9.05845180 7.19868257 5.42408946 -0.61328676 -0.64138245 -0.11949503 Al 7.19857649 9.03986924 5.40174458 -0.40630227 -0.39614377 -0.33843047 Al 10.81827526 7.25043098 3.62077559 0.25623562 -0.61620021 -0.59882628 Al 12.65372481 9.00095790 3.59042637 -0.31807927 -0.03696513 -0.04908264 Al 12.66764890 7.21991385 5.43344139 0.36201275 0.30465277 -0.17981467 Ni 10.86141037 9.08868134 5.47162740 -0.43890341 -0.48114021 -0.51981309 Ni 14.42784953 7.26403316 3.65148693 0.24457140 -0.40620433 -0.32837195 Ni 16.26562668 9.03681039 3.56639905 -0.42123788 0.05014184 0.28078158 Ni 16.25230676 7.22889381 5.45629157 -0.06770457 0.15910582 -0.38232734 Ni 14.44483135 9.02284383 5.45755730 0.23212155 0.55340827 -0.30965377 Al 0.01264072 10.82868004 3.63679423 -0.60246622 -0.36496555 -0.03857859 Al 1.77441888 12.64899802 3.63950822 0.32779023 0.29217005 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