256 Lattice="10.25839614868164 0.0 0.0 0.0 10.25839614868164 0.0 0.0 0.0 10.25839614868164" Properties=species:S:1:pos:R:3:forces:R:3 energy=-14991.219486422622 stress="-3.4671472951366438 -0.14283455700615805 -0.06530481559434673 -0.14283455700615805 -3.4583556092162557 -0.04626268189257774 -0.06530481559434673 -0.04626268189257774 -3.6285573921045926" free_energy=-14991.219486422622 pbc="F F F" Ni 0.02181473 0.00837474 0.03049075 25.58185598 25.17383915 30.90079670 Ni 1.26665797 1.27681566 0.00241633 84.72176339 91.97384598 -104.84288400 Ni 1.25931795 0.00581245 1.30500021 107.81241523 -96.87180878 83.69351346 Ni 0.01333559 1.27566993 1.27699336 -104.88725125 79.18497892 81.47453416 Ni 2.52808233 0.02763916 0.02742351 9.11848318 -43.04012424 -35.22581428 Ni 3.81051002 1.25745280 0.00123694 43.41190220 138.66828476 -72.53561213 Ni 3.82012364 0.00653395 1.26488791 27.93545334 -71.58498421 136.83397829 Ni 2.58917762 1.29123784 1.29260033 -94.76586606 88.60008204 102.23971757 Ni 5.15123405 0.01265265 0.02562911 5.92965061 -16.29283455 -23.65606133 Ni 6.39888897 1.26826420 0.02524538 -3.86644412 106.20505778 -44.09604125 Ni 6.42882716 0.02320492 1.27588719 -2.86660233 -42.73093679 116.47959344 Ni 5.11158341 1.29234600 1.29773494 54.48945328 35.96368695 47.00370060 Ni 7.68913894 0.00364389 0.01054264 -79.49741019 -10.24101799 -11.36344105 Ni 8.96059542 1.29595689 0.02699593 8.84638251 69.45938965 -12.58758414 Ni 8.96973788 0.00640696 1.28137287 7.98990060 -7.26139289 69.52231710 Ni 7.69383756 1.26307922 1.25693601 -78.17106371 85.56246245 91.86322282 Ni 0.01496378 2.57716864 0.02849637 -26.69418226 12.57116662 -35.06983781 Ni 1.25949516 3.88066894 0.02108743 130.63116945 5.90844328 -64.61651939 Ni 1.29211188 2.54033880 1.28392212 111.92181099 52.79116840 98.09174259 Ni 0.01420224 3.85378960 1.27194654 -82.17275996 14.63575197 131.37264342 Ni 2.58354460 2.59567580 0.01189848 -13.13769575 -8.43181683 -63.25042721 Ni 3.84465139 3.85722722 0.00020510 39.40657637 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6.45067870 1.29974573 -43.96281736 -11.57488604 101.83257371 Ni 2.55914350 5.10467579 0.00315564 6.56765906 33.65343089 -100.74279575 Ni 3.82183142 6.42108442 0.01930059 44.12824814 -13.37268402 -97.96847345 Ni 3.85970253 5.13265989 1.30568362 -53.40749697 -9.78794818 -107.06850638 Ni 2.56739784 6.41805954 1.27272794 -74.45262849 34.31663370 133.87871345 Ni 5.15441482 5.10089603 0.02489307 -45.91600572 15.95280270 -131.71336676 Ni 6.40794066 6.41896668 0.00068032 -10.75983710 -8.40701180 -69.61199376 Ni 6.39156220 5.12196042 1.25931115 118.43385790 29.08641110 117.12263138 Ni 5.14562438 6.42578903 1.28899836 -98.30750137 21.08826371 18.85776344 Ni 7.67284582 5.16876335 0.01569606 -128.00637301 -42.93673450 -71.77319478 Ni 8.96637060 6.39639113 0.02672216 38.11250510 -21.57131013 -39.10119005 Ni 8.96131314 5.14660314 1.26098645 74.31400472 -38.45614469 135.74456192 Ni 7.67056365 6.39197526 1.29525419 -59.87535797 65.82921841 51.82263020 Ni 0.03087727 7.70018573 0.00191402 -12.18484194 -74.93881215 -15.86232516 Ni 1.25900822 8.99325078 0.02780908 78.26379364 11.45415840 -13.58604868 Ni 1.26367138 7.69264879 1.28117875 85.37296426 -70.04352547 64.99131759 Ni 0.03493550 8.96191981 1.29319896 -19.06651520 14.90440309 76.29458351 Ni 2.57038361 7.70386855 0.01381708 0.65386450 -107.69050087 -46.19231456 Ni 3.84856117 8.94195176 0.03174428 6.29852678 22.28659484 -24.44570905 Ni 3.88205798 7.70057190 1.26384876 -83.66047725 -60.64208612 134.42591238 Ni 2.53896937 8.95552678 1.27903190 20.91730901 30.89309373 107.18961929 Ni 5.13581338 7.68499823 0.02343194 -15.55952568 -135.69216778 -76.64851110 Ni 6.38503407 8.95676919 0.02307121 -14.80344272 45.55795939 -45.32486935 Ni 6.40372110 7.68857077 1.27685110 18.79987796 -70.14627281 128.79745122 Ni 5.17322249 8.97097761 1.26077669 -43.02422789 68.85815728 154.00996999 Ni 7.68058189 7.67679279 0.02342806 -90.89222118 -82.08413586 -91.03225124 Ni 8.98648819 8.94450260 0.01205576 -28.19118525 -26.82874657 23.84737677 Ni 8.97673272 7.69135255 1.26398545 102.10209679 -86.29250975 95.13061859 Ni 7.70811988 8.95267641 1.29372308 -91.69124580 88.75336970 93.32331711 Ni 0.04372457 0.03748486 2.54340380 -35.64631855 -39.34500849 19.80460976 Ni 1.30323800 1.27718468 2.58727906 58.12278838 116.78477635 -71.03838544 Ni 1.27921205 0.01303138 3.82442110 131.78693310 -78.49338476 32.92381220 Ni 0.00832473 1.26646556 3.88524274 -76.99099204 141.69851327 12.45584527 Ni 2.54357317 0.00126678 2.59304814 3.50869971 -51.41429486 -26.13356591 Ni 3.82161636 1.30363452 2.56483171 119.02618766 -46.87048110 -59.54055038 Ni 3.87273581 0.00660749 3.80408458 -19.50416579 -134.24683712 61.90992305 Ni 2.56637879 1.30136683 3.82193555 -110.68586350 -16.41138443 102.54102617 Ni 5.13639145 0.01146649 2.53502614 -20.53791755 -96.02257233 7.27048967 Ni 6.42184924 1.28538374 2.55398125 40.14349387 24.34351895 -8.09008468 Ni 6.39637450 0.01547484 3.84463658 16.23142380 -95.82203344 18.24808211 Ni 5.11116710 1.26461406 3.88241373 55.52489545 53.45237872 -110.12551231 Ni 7.71805835 0.00543420 2.55690306 -119.27895665 -39.05742191 3.64707252 Ni 8.97685006 1.26013664 2.55530737 36.12050931 136.53542941 15.77982995 Ni 8.95381488 0.01073520 3.81918118 32.30011105 -31.67718135 -1.35876258 Ni 7.70391331 1.26650204 3.86817110 -108.40357022 111.88142400 -59.24040691 Ni 0.01190084 2.56434796 2.52503828 -50.76628492 -23.21992723 45.16946688 Ni 1.30789583 3.82817380 2.58020852 -54.78039705 92.68926185 -129.50559949 Ni 1.27349947 2.56193825 3.84572732 74.67616810 -35.96913434 27.17603871 Ni 0.01371144 3.87501091 3.88564447 -145.73260579 -12.53026370 5.47785120 Ni 2.56867310 2.58705404 2.57497449 -167.85996203 -244.56167556 -213.33011559 Ni 3.86186290 3.85703801 2.56479635 -62.78047822 -87.34676004 -156.19842379 Ni 3.84329093 2.58061917 3.85957270 41.42308917 -279.39063133 -78.03072746 Ni 2.56017164 3.86116201 3.83595737 -115.05365634 -98.47616388 128.92161660 Ni 5.14312298 2.53339913 2.57815282 -75.04152532 1.93312530 -193.19230351 Ni 6.40931444 3.85782741 2.58029731 183.09348490 -151.70685255 -307.33330171 Ni 6.39536005 2.53999686 3.85979314 293.40194873 -74.03973710 -3.19018141 Ni 5.15272925 3.84128224 3.85231620 -163.25383058 67.07217279 41.39667643 Ni 7.71489881 2.57512730 2.58501876 -137.35971754 -105.32335898 -132.01322406 Ni 8.98441475 3.89292524 2.56746795 100.49421554 -24.70298531 -30.96619444 Ni 8.96738254 2.59932002 3.81909295 87.15588283 -35.99164893 21.08547572 Ni 7.70397654 3.82640065 3.82307553 -67.31389555 102.09273491 121.16069494 Ni 0.01771790 5.11176598 2.56766499 -98.91906162 15.92057519 8.90220260 Ni 1.26100846 6.43414958 2.57848228 149.05400279 -46.25337687 -122.18966741 Ni 1.30753344 5.14183210 3.86486215 -134.56473239 -43.64909171 -64.02204101 Ni 0.00367439 6.43424772 3.82128876 -94.61471359 -1.48835542 53.10523256 Ni 2.56519244 5.10447865 2.57068065 -193.53790023 231.93267622 -196.53762093 Ni 3.84961848 6.43523632 2.56797371 -67.62222456 45.16944593 -195.22690432 Ni 3.84210240 5.12454025 3.86718425 84.59644966 54.77156950 -128.54522364 Ni 2.54317118 6.39659160 3.83874126 -68.10736473 291.51458956 80.84568769 Ni 5.10963636 5.11147632 2.55886206 172.61202183 163.04627041 -126.90950513 Ni 6.40084340 6.41128945 2.57713641 176.28680280 169.60804254 -254.24394382 Ni 6.42013884 5.14539870 3.85962927 99.03239681 -110.32395938 -108.20543121 Ni 5.10885723 6.41335668 3.83674018 78.45166350 210.26133335 131.74632748 Ni 7.68696443 5.14480143 2.52609792 -26.56237421 -28.83747328 82.77145287 Ni 8.95086326 6.39598760 2.56033335 53.02675424 29.77484452 -16.33542053 Ni 8.97473263 5.12381866 3.83402974 94.78311751 0.68583205 6.08791866 Ni 7.69903348 6.44078492 3.83782308 -49.60864207 -68.12713771 49.09976979 Ni 0.00763848 7.69518480 2.53867733 -46.29421820 -97.86444416 11.83638904 Ni 1.27162276 8.99140612 2.58040644 120.46066561 28.33879076 19.27240122 Ni 1.25669889 7.68985686 3.85631139 124.35029002 -73.94700509 -61.11446189 Ni 0.01569670 8.97468505 3.83778694 -19.54458810 18.03995571 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5.10879600 102.71636281 98.00407309 77.03711104 Ni 1.27007127 0.01445108 6.42677106 103.88069349 -47.62494351 -6.13831366 Ni 0.00236639 1.28391103 6.42948370 -43.40252126 111.88137460 -16.11744863 Ni 2.54874213 0.00800616 5.14167089 -2.15941728 -89.90621679 -21.96903481 Ni 3.82191866 1.27370876 5.14160860 109.03407045 52.83968756 -49.83688445 Ni 3.88959424 0.01260925 6.40000133 -47.29007209 -105.53394873 -0.66748021 Ni 2.52847236 1.29019505 6.43993824 75.09910040 83.86855958 -18.22132442 Ni 5.14050464 0.00675585 5.12866534 -48.52490063 -150.56364797 -27.09385967 Ni 6.41697748 1.26723595 5.14148714 52.43595634 48.76231673 -8.79900184 Ni 6.41740879 0.00886059 6.41865776 8.38966603 -47.82043062 -2.74909792 Ni 5.14025621 1.26035865 6.39972195 -17.40586865 108.27643567 118.25066729 Ni 7.70382614 0.01670025 5.13471920 -126.39507834 -67.60098117 -11.15384787 Ni 8.97598477 1.27075205 5.09086550 54.88415076 131.13531000 -7.94603708 Ni 8.97125274 0.00851937 6.43787355 30.55633958 -33.58823612 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7.67203034 2.54472366 5.15383456 59.30021532 -34.98484058 -105.36187690 Ni 8.95419728 3.80532751 5.09303745 128.44337953 31.79735037 13.86819143 Ni 8.98330326 2.54080972 6.41898925 49.07517916 20.93281587 -12.47631453 Ni 7.71130845 3.83140097 6.39917368 -108.76929481 42.04082187 135.68507399 Ni 0.02136321 5.15682239 5.16138633 -158.39325346 -16.95627673 -27.66877096 Ni 1.27588883 6.40238331 5.12811888 34.06367846 62.38778548 28.61140268 Ni 1.25833910 5.13885846 6.42808488 128.72365716 -36.96333209 30.63538136 Ni 0.01632795 6.40857462 6.41316915 -63.52180028 9.10460916 3.58578066 Ni 2.58158087 5.12125224 5.13507494 -327.68715032 39.21385878 43.83004857 Ni 3.83169208 6.41497179 5.14914317 66.87604284 159.54005546 -112.48291186 Ni 3.86031761 5.12478448 6.43144718 -59.42502689 16.84083892 70.41957717 Ni 2.56803476 6.38636294 6.42215318 -185.27015309 354.46225940 135.10163788 Ni 5.11783268 5.15127306 5.11920527 122.39535845 -156.44180454 88.66030093 Ni 6.41755338 6.38998710 5.10627600 132.48561709 298.23473864 186.04080091 Ni 6.42359835 5.12172009 6.42077661 61.36259296 74.02935725 85.55683062 Ni 5.10734870 6.40840599 6.39242198 165.93742685 210.49544153 324.11329389 Ni 7.67885796 5.11430063 5.10416478 73.33631509 51.88684903 91.10658655 Ni 8.99979843 6.39826302 5.11697632 62.76247220 -10.45770585 -24.62200102 Ni 8.95689051 5.14007873 6.36288098 75.70223378 -36.43067527 19.98620623 Ni 7.70957721 6.40607506 6.43494765 -145.23669181 46.33805489 -58.31627901 Ni 0.00685266 7.69262408 5.11835217 -82.10208974 -130.81349867 -15.55455684 Ni 1.26609211 8.95201958 5.12700341 141.75930910 64.20441839 -25.20096951 Ni 1.28463061 7.66954581 6.39970395 100.99997721 -72.58588749 56.94697422 Ni 0.01618440 8.95260458 6.37845601 -34.53824580 29.53499645 -17.43432166 Ni 2.55347292 7.66999240 5.12018228 -47.10007484 51.36887945 27.55742186 Ni 3.84901443 8.99498340 5.09291300 6.51089803 88.21104204 26.96405801 Ni 3.82996137 7.71741443 6.42262397 58.46173173 -129.89394973 29.56190901 Ni 2.58628142 8.99406462 6.39631431 -6.08002979 45.88606236 3.32342599 Ni 5.10586451 7.67108659 5.13832268 68.30107883 100.95466913 -52.64833855 Ni 6.38191412 8.96414395 5.14601421 10.59989475 67.36065359 -19.18639912 Ni 6.41006889 7.71441095 6.40611137 39.72195857 -207.38378353 86.46205510 Ni 5.13566910 8.97471150 6.41161926 -29.93914848 69.88860322 5.02042405 Ni 7.70810655 7.67467335 5.14944726 -121.32263467 -85.39073768 -42.59643288 Ni 8.94962931 8.95869728 5.13432308 22.99778968 22.45888469 2.98092962 Ni 8.97638660 7.69549805 6.37700620 35.18287608 -101.22817209 9.06107976 Ni 7.67139819 8.99827766 6.39591729 -99.45097350 24.65541032 14.57677565 Ni 0.02519226 0.00598489 7.69954310 -16.45347770 -13.78322514 -74.56942666 Ni 1.25899073 1.26391669 7.70117695 90.55582222 96.96417303 -66.74179663 Ni 1.29769379 0.01988681 8.97056075 72.88039110 -8.07183482 16.98578660 Ni 0.01303454 1.27971990 8.98030257 -9.84416600 72.13102314 7.77345487 Ni 2.55932416 0.00093818 7.68964607 6.02453634 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