500 Lattice="17.464201588605228 0.0 0.0 0.0 17.464201588605228 0.0 0.0 0.0 17.464201588605228" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2024.7686427159654 stress="-0.0042847736466800415 -4.865943196466528e-05 0.00037597218763660707 -4.865943196466528e-05 -0.004153912158063272 -0.00026171450046141425 0.00037597218763660707 -0.00026171450046141425 -0.004077345462917578" free_energy=-2024.7686427159654 pbc="F F F" Ni 0.02617023 0.02578547 0.00050912 0.40738463 0.41394845 0.40988036 Ni 1.76495399 1.74136380 0.01832139 -0.10538826 0.21690677 -0.18768163 Ni 1.77921869 0.02646656 1.71327177 -0.33621883 -0.30613589 0.38936551 Ni 0.01729471 1.74002357 1.76587467 -0.12700491 0.10819919 -0.09324650 Ni 3.46565945 0.01363655 0.04302111 0.17669576 0.03507829 -0.12772475 Ni 5.24860364 1.73581068 0.00935148 -0.10515219 0.24319768 -0.10523642 Ni 5.24956644 0.02129100 1.72148801 -0.13871353 -0.32063186 0.20222693 Ni 3.48327446 1.72067880 1.77460373 0.36170230 0.37763603 -0.21421193 Ni 6.98474040 0.01294829 0.00940054 0.01997444 0.06224872 0.04913152 Ni 8.72339877 1.73307710 0.01899191 0.01526984 0.26270914 -0.23506947 Ni 8.70333349 0.02270118 1.74192238 0.20213550 -0.34607662 0.15303118 Ni 7.00937699 1.71834007 1.76871410 -0.12022827 0.44403282 -0.17945558 Ni 10.47872736 0.01647713 0.00878422 -0.00460735 0.01984829 0.14501094 Ni 12.21042627 1.73860219 0.00632241 0.20628246 0.17512864 -0.19557381 Ni 12.24716417 0.02272934 1.77148321 -0.24929678 -0.44655625 -0.23969895 Ni 10.49690412 1.72659570 1.71589962 -0.21848080 0.31082083 0.38387957 Ni 13.98010044 0.00895329 0.00426781 -0.23005365 0.16748569 0.22346245 Ni 15.70123855 1.71311469 0.00954768 -0.26957845 0.26348262 0.24297050 Ni 15.69605482 0.01480058 1.74613032 -0.20641955 0.18580103 0.19059819 Ni 13.93869645 1.72003939 1.74652772 0.34230294 0.39517019 -0.18234292 Ni 0.01177467 3.49337633 0.00517808 0.28957646 -0.08046178 0.28155054 Ni 1.72945597 5.27727982 0.01083472 0.08972921 -0.19975741 -0.18872126 Ni 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13.97376128 3.51860822 0.00649565 -0.06072080 -0.32148292 -0.15901929 Ni 15.68647439 5.28834583 0.04009113 0.14900140 -0.11482937 -0.10519328 Ni 15.74284083 3.49949974 1.71786408 -0.02238373 -0.22611113 0.18781146 Ni 13.98514304 5.21527099 1.71501499 -0.15433586 0.20618211 0.47100815 Ni 0.02065489 7.00946583 0.01771390 0.06197172 -0.02614107 0.12253154 Ni 1.75329713 8.70121135 0.00139230 0.11281845 0.09495602 -0.01036304 Ni 1.78803336 6.95840815 1.77844421 -0.29504594 0.38090068 -0.17724605 Ni 0.01460973 8.71869916 1.75380534 -0.11411528 0.10195113 -0.11295716 Ni 3.50950947 6.96645666 0.02878296 -0.15722648 0.20850653 -0.34205025 Ni 5.20618648 8.75981481 0.02693188 0.02239813 -0.22960225 -0.33776927 Ni 5.23531933 6.96088624 1.71886584 -0.10339785 0.42076996 0.40119312 Ni 3.49910102 8.74515805 1.76814274 -0.19335580 -0.05379850 -0.07082314 Ni 6.95703747 6.98499047 0.03236029 0.11476049 0.04213457 -0.45366993 Ni 8.73780692 8.74593440 0.01260144 0.03250011 -0.16180154 -0.23003231 Ni 8.71975667 6.95189426 1.73270784 0.15350092 0.25747302 0.16413976 Ni 6.98654358 8.70961090 1.72250993 -0.12377602 0.05290625 0.40687036 Ni 10.50389824 7.02082505 0.00801408 -0.12554653 -0.10403791 -0.29548704 Ni 12.21756831 8.76631644 0.02209566 0.20072584 -0.15272387 -0.18970718 Ni 12.22982550 6.98247520 1.73331911 0.18616698 0.04260558 0.15440235 Ni 10.49390981 8.70138369 1.76848878 -0.18697358 0.33247124 -0.11454476 Ni 13.95166684 6.95159969 0.02096465 -0.11220899 0.34465902 -0.20270537 Ni 15.70972254 8.70070376 0.00713581 -0.21041491 0.09268923 0.07055467 Ni 15.73422845 7.01725293 1.73154489 0.04967516 -0.04139638 0.35479168 Ni 13.99434503 8.75409357 1.76894961 -0.23615602 -0.24915538 -0.07745806 Ni 0.03107155 10.49075296 0.00748552 0.10704432 -0.10170894 0.11602657 Ni 1.72298656 12.26528503 0.02871498 0.16729777 -0.15815782 -0.26143076 Ni 1.72617579 10.50114325 1.73865831 0.30339807 -0.25308059 0.12513505 Ni 0.01070406 12.20923142 1.76940105 -0.37732094 0.15638386 -0.11261956 Ni 3.46876995 10.48282869 0.02765617 -0.07920419 0.14472551 -0.20328353 Ni 5.20427755 12.23641997 0.02458829 0.10611544 -0.20135046 -0.23226601 Ni 5.24250918 10.46411593 1.75034291 -0.04653448 0.32977336 0.21956255 Ni 3.47066166 12.25056984 1.78520223 0.11283580 -0.21763999 -0.11008792 Ni 6.95138923 10.44971547 0.00844460 0.15719669 0.37213719 -0.17648392 Ni 8.75212004 12.23917785 0.02444171 -0.23638313 -0.20154836 -0.15922308 Ni 8.71265886 10.45770926 1.72911888 0.10540936 0.22373039 0.14451884 Ni 6.97306594 12.25970329 1.77172241 0.15499053 -0.32486216 -0.18217063 Ni 10.49521412 10.48249411 0.01563400 -0.11815327 -0.02113213 -0.03999712 Ni 12.19282765 12.21830554 0.01945385 0.09384499 0.04659679 -0.36215625 Ni 12.27191937 10.50030109 1.75509093 -0.34629737 -0.14490599 0.19604349 Ni 10.47906941 12.24215658 1.77772656 -0.07463837 -0.07247118 -0.13595180 Ni 13.96815338 10.46815070 0.00430308 0.12080042 0.12925961 -0.15653314 Ni 15.70197580 12.24310070 0.03318600 -0.12476722 -0.06049768 0.09696813 Ni 15.72593338 10.45700060 1.76339311 0.08467890 0.21974461 -0.10865175 Ni 13.94166178 12.25556649 1.71753319 0.35661712 -0.29778067 0.28365471 Ni 0.01302452 13.98168696 0.01065388 0.09765032 -0.12393174 0.19194146 Ni 1.75262960 15.71082531 0.02296568 0.06030306 -0.17298554 0.09575500 Ni 1.71795615 13.98205582 1.72699106 0.14707470 -0.01421967 0.32116674 Ni 0.01041540 15.72171409 1.72827604 0.13283803 -0.26608108 0.20974521 Ni 3.47536311 13.95568250 0.00859178 0.09978440 0.15623950 -0.18022750 Ni 5.26660575 15.73625375 0.00474690 -0.18581911 -0.32429785 0.21835570 Ni 5.24416646 13.93981997 1.73906261 -0.17141956 0.45894077 0.14505869 Ni 3.47478376 15.69477334 1.73197827 0.21784439 0.14868303 0.14786309 Ni 6.96490994 13.95598643 0.01894256 0.14323853 0.13589783 -0.30828923 Ni 8.75959857 15.74167094 0.01179443 -0.13002241 -0.19817290 0.17220625 Ni 8.70012980 14.01171836 1.72584385 0.13461289 -0.18922242 0.41442618 Ni 6.97319096 15.72159462 1.74274593 0.06629752 0.14023298 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1.75774424 15.75153059 -0.22674988 0.10377622 -0.08389603 Ni 10.45827400 0.02632075 13.93656531 0.16401052 -0.21806266 0.24827328 Ni 12.25308134 1.73618398 13.94936557 -0.29989262 0.16233637 0.12514314 Ni 12.25200205 0.02637564 15.75156384 -0.16891213 0.18889540 -0.33445023 Ni 10.47955962 1.76796800 15.69541546 0.07661503 -0.12668830 0.08975584 Ni 13.95033369 0.01957692 13.97593511 0.34487279 -0.12424675 0.07172843 Ni 15.74900783 1.76314903 13.99102403 -0.12901243 -0.08003041 -0.11266946 Ni 15.74920046 0.02138761 15.72087856 -0.57296879 0.48774548 -0.50525292 Ni 13.96550279 1.75544508 15.71883054 0.12145124 0.14601755 0.08289506 Ni 0.00459694 3.52013971 13.97822973 -0.16552296 -0.17572918 -0.13224821 Ni 1.75735389 5.22002747 13.97067767 -0.06005293 0.14243080 -0.26788348 Ni 1.73339518 3.52259239 15.69652033 0.28577851 -0.31701030 0.27377639 Ni 0.04852765 5.23791159 15.72614570 -0.08980252 -0.01371392 -0.02147367 Ni 3.51701682 3.52495207 13.95686511 -0.20937818 -0.46293590 0.13315943 Ni 5.25817579 5.22642087 13.94248042 -0.20049909 0.29526437 0.12736612 Ni 5.26038948 3.52497117 15.69526999 -0.29283883 -0.35104671 0.22581256 Ni 3.46945995 5.28026929 15.68703047 0.23574236 -0.23705163 0.37125669 Ni 6.94964059 3.49357072 13.93754921 0.40679451 -0.12028601 0.30601589 Ni 8.74760306 5.24563480 13.98353535 -0.19114865 -0.00835945 -0.06956368 Ni 8.75133443 3.48869715 15.72389827 -0.11376618 0.06435811 0.03825629 Ni 6.96893017 5.20516277 15.68640280 0.19662269 0.23964906 0.23209716 Ni 10.48089298 3.51029493 13.93880854 -0.09784598 -0.27672679 0.21788766 Ni 12.20016481 5.23891650 13.95971450 0.38732975 0.16862212 0.17370164 Ni 12.19562264 3.52702363 15.70648507 0.22373156 -0.38592398 0.12594493 Ni 10.50991304 5.22141217 15.70431443 -0.27739690 0.25612932 0.27056987 Ni 13.96100608 3.47323815 13.95690308 0.08943564 0.01482553 0.06654643 Ni 15.72086431 5.20739065 13.94641000 0.06906456 0.24221368 0.17716129 Ni 15.74801905 3.50769247 15.70572391 -0.26541016 -0.10984538 -0.18216195 Ni 13.97012158 5.20710524 15.72854404 -0.04551114 0.22866342 -0.09712945 Ni 0.00292460 6.94068429 13.99136387 -0.23143433 0.22301882 -0.18685759 Ni 1.75625247 8.71543781 13.96925238 -0.15986212 0.02872476 0.16740699 Ni 1.72452180 6.96368417 15.70033875 0.17127438 0.17002144 0.21093561 Ni 0.00724929 8.69855910 15.71268175 0.11511137 0.06350155 -0.24955043 Ni 3.53272332 6.97156408 13.99779998 -0.22927796 0.10108636 -0.22962141 Ni 5.24071306 8.74013532 13.95629284 -0.08451064 0.08737475 0.13871112 Ni 5.26470575 7.00014918 15.74251507 -0.08616900 -0.13818388 0.04640680 Ni 3.45878467 8.71789489 15.71554456 0.12634207 -0.02272819 0.18712545 Ni 6.96838180 6.99351179 13.95162866 0.14618394 -0.13670598 0.17794358 Ni 8.68664808 8.70637888 13.94937101 0.25821331 0.29862029 0.13447858 Ni 8.70603033 6.98320031 15.71900337 0.08003225 -0.12380030 0.09945101 Ni 6.96052140 8.72586798 15.70746806 0.22041244 0.12018458 0.19298720 Ni 10.50893648 6.96628819 13.95982602 -0.24204028 0.22193790 0.06785137 Ni 12.23083072 8.70595460 13.93698305 0.00854431 0.16734597 0.17463883 Ni 12.21076567 7.01537146 15.73342919 0.22392202 -0.26150451 0.08500853 Ni 10.45669563 8.69814122 15.70650037 -0.07231325 0.23526015 0.06490364 Ni 13.97761555 6.99768414 13.95752645 -0.06245487 -0.20260584 0.11416550 Ni 15.69138104 8.74669957 13.96530503 0.41356919 -0.23258700 -0.06678020 Ni 15.69355203 6.99903065 15.72298548 -0.10813865 -0.18566086 -0.26897146 Ni 13.98026244 8.70423652 15.70651762 -0.18562070 0.21671891 0.20281985 Ni 0.01094222 10.50340554 13.95635416 -0.14681164 -0.00011551 0.28396811 Ni 1.78107112 12.24882057 13.95159044 -0.19504189 -0.20427833 0.32833410 Ni 1.70587272 10.44769240 15.75180786 0.17911448 0.30642019 -0.10684241 Ni 0.00298842 12.25774248 15.72645104 0.23452229 -0.09209953 -0.28373606 Ni 3.47325746 10.48684712 13.99006416 0.10491230 0.02931474 0.03078357 Ni 5.27030519 12.24439387 13.96005806 -0.61844108 -0.11210120 0.11973186 Ni 5.23590455 10.44744234 15.71347251 -0.13064161 0.27933441 0.18926038 Ni 3.48214763 12.27465126 15.74583607 -0.01730888 -0.29502121 -0.00233055 Ni 6.96738012 10.50927121 13.97894103 0.18466882 -0.34456176 -0.15614342 Ni 8.75515279 12.21495681 13.94173674 -0.15616009 0.19309548 0.20072930 Ni 8.71092773 10.50641724 15.70810496 0.09321995 -0.30794678 0.13072884 Ni 6.99175270 12.22400438 15.71729651 -0.04139792 0.08147387 0.17522784 Ni 10.46191770 10.45378139 13.95467900 0.07691249 0.05413186 0.09531707 Ni 12.22193193 12.23696798 13.99475785 0.15178864 -0.35131035 -0.35229823 Ni 12.19791345 10.46430790 15.70073127 0.30752369 -0.14564795 0.10621373 Ni 10.49011747 12.17854615 15.73396871 -0.10561445 0.09865732 0.17470549 Ni 14.00521512 10.44744014 13.96743799 -0.60673469 0.41372272 -0.00347233 Ni 15.72103860 12.19763311 14.00007327 0.12471825 0.12493801 -0.26248365 Ni 15.71232070 10.47078035 15.68294645 -0.10147125 -0.04555768 0.08106481 Ni 13.98806276 12.24847879 15.72508604 -0.22414050 -0.24149167 0.15108273 Ni 0.01395167 13.94130033 13.94353433 -0.15008732 0.34925496 0.24697943 Ni 1.76777729 15.75058423 13.95777780 -0.21745422 -0.04569666 0.08126042 Ni 1.71645967 13.97452192 15.69840484 0.15134351 0.17295290 0.08426937 Ni 0.01564937 15.72904190 15.71875886 0.45763895 -0.52671583 -0.56003103 Ni 3.48536183 13.99703005 13.97149555 0.15460819 -0.25080951 -0.10774808 Ni 5.25424475 15.73333539 13.93908858 -0.10311330 0.01130284 0.24579972 Ni 5.24842676 13.94966465 15.74194031 -0.00169432 0.18134591 -0.03274364 Ni 3.51578465 15.70514997 15.69045698 -0.05459482 -0.17495763 -0.09568043 Ni 6.96350674 13.96126724 13.95787846 0.35482675 0.11061770 0.15257781 Ni 8.76200456 15.69260140 14.00169796 -0.24628187 0.06752875 -0.06873156 Ni 8.76563903 13.93162126 15.72046382 -0.20979929 0.07538548 0.10026374 Ni 6.96803528 15.71130385 15.73380655 0.10490878 -0.32772107 -0.30956233 Ni 10.50453192 13.92641220 14.00427409 -0.21936493 0.30521571 -0.30060486 Ni 12.24163344 15.70493172 13.94972492 -0.28142386 0.10475789 0.20753939 Ni 12.19253269 13.96055793 15.70301771 0.21739709 0.09524172 0.32577893 Ni 10.46552714 15.71648750 15.74812850 0.15582082 -0.21559604 -0.29612594 Ni 13.99266711 13.95965772 14.00210705 -0.15758837 0.11621637 -0.13644901 Ni 15.73218550 15.75088338 13.98983777 -0.41592815 -0.39740491 -0.11146483 Ni 15.71006422 13.96174355 15.70860085 -0.19502592 0.09879089 -0.23836289 Ni 13.92724653 15.73788491 15.69202734 0.06104857 -0.37851688 -0.23541245