500 Lattice="17.496603790737602 0.0 0.0 0.0 17.496603790737602 0.0 0.0 0.0 17.496603790737602" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2018.3140487238795 stress="-0.006542498427802078 0.0004151215699787464 3.455975057983861e-05 0.0004151215699787464 -0.0065828459311699315 5.7145279908245503e-05 3.455975057983861e-05 5.7145279908245503e-05 -0.006543613481721225" free_energy=-2018.3140487238795 pbc="F F F" Ni 0.02991407 0.00203645 0.00591537 0.54015619 0.60791809 0.59938331 Ni 1.76993078 1.72462922 0.01076555 -0.24699007 0.19904422 -0.31561137 Ni 1.74106872 0.02904530 1.76879430 -0.18544027 -0.29787313 -0.21433172 Ni 0.00421200 1.77965772 1.75554034 -0.23311461 -0.43447922 -0.11946958 Ni 3.48580276 0.03305215 0.01767729 0.04078552 0.17769835 0.19607133 Ni 5.25825102 1.78344622 0.00368351 -0.29064896 -0.31435768 -0.18635354 Ni 5.21557362 0.02496666 1.71568189 0.27034051 -0.16327223 0.24386472 Ni 3.47403323 1.79520181 1.78301207 0.24524955 -0.41797166 -0.29250405 Ni 6.99368080 0.03454998 0.00710427 -0.04489525 0.27782733 0.19905672 Ni 8.76254611 1.75795890 0.03085959 -0.25849245 -0.09809381 -0.40778356 Ni 8.70749815 0.01414135 1.73805900 0.24262134 -0.09088095 0.23902006 Ni 6.97568782 1.78111169 1.77740846 0.15323645 -0.32951408 -0.05452344 Ni 10.46424615 0.01719798 0.03496265 0.18849327 0.16109923 0.11821218 Ni 12.26587846 1.76982951 0.03327317 -0.16886631 -0.24725455 -0.29661082 Ni 12.22952337 0.01778448 1.76712736 0.23210177 -0.46037450 -0.28211694 Ni 10.53161354 1.73745743 1.75955906 -0.52212178 0.25735227 0.26973719 Ni 14.02122904 0.02366156 0.00805170 -0.09207208 0.27974151 0.49231604 Ni 15.73627503 1.73729515 0.02572966 -0.17001551 0.02043006 0.26098000 Ni 15.76864435 0.00467112 1.79850079 -0.44913408 0.26422242 -0.16113096 Ni 14.02769675 1.75228629 1.75588131 -0.21916276 -0.19762018 -0.01798912 Ni 0.01529352 3.48442913 0.02595814 0.18128900 0.00699680 0.18617031 Ni 1.73210931 5.21249399 0.00180879 0.10119838 0.16246669 -0.19616874 Ni 1.77653305 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3.47490399 0.03126509 0.31242924 0.28827409 -0.30973442 Ni 15.78016658 5.26179921 0.01903054 -0.48335651 -0.14236029 0.35222333 Ni 15.77984154 3.46894090 1.76989529 0.05264296 0.34295586 -0.18876169 Ni 13.97549067 5.22566821 1.71551208 0.33835730 0.28804998 0.33039228 Ni 0.01990457 6.98325890 0.01233041 0.19617007 0.04702173 0.24077252 Ni 1.77300235 8.72828331 0.02121477 -0.46122316 0.09585965 -0.37051431 Ni 1.75193520 6.97571302 1.73808938 0.12978050 0.24773198 0.15350213 Ni 0.00455702 8.74263842 1.76914745 -0.13790211 0.02692959 -0.14140446 Ni 3.48055016 7.02220900 0.02604499 -0.08345994 -0.35787358 -0.54871690 Ni 5.22025319 8.72291836 0.00871202 0.15421329 0.25604653 -0.27956527 Ni 5.22102771 6.96794601 1.74785950 0.27183451 0.50293133 0.56406742 Ni 3.50523491 8.73322959 1.74966411 0.06928822 0.00914877 0.56712352 Ni 6.97907242 7.02111363 0.01162706 0.14592611 -0.16279789 -0.21354133 Ni 8.73153662 8.72066986 0.03405568 0.18891198 0.26530162 -0.34241873 Ni 8.76412429 6.97837655 1.73018994 -0.10504402 0.58177379 0.45909317 Ni 6.96690127 8.78118256 1.75596610 0.23398180 -0.58519886 0.33118188 Ni 10.49980577 6.99649083 0.00686173 -0.09843623 0.11582872 -0.35877989 Ni 12.26906578 8.73724242 0.00765836 -0.05699476 0.19943294 -0.17858556 Ni 12.21372831 6.98485359 1.73013543 0.34734926 0.07755025 0.48584646 Ni 10.52804853 8.78130513 1.72766855 -0.33186863 -0.38780851 0.33936382 Ni 14.00919949 7.03198231 0.00914015 -0.06658973 -0.39306131 -0.23275403 Ni 15.74329175 8.72863965 0.05153092 -0.01533437 0.12165691 -0.14760089 Ni 15.75062149 7.01880431 1.72941627 0.26673537 -0.47395144 0.29875676 Ni 14.01233936 8.72659059 1.78806466 -0.53945161 0.36564526 -0.09140832 Ni 0.02184774 10.52259020 0.03211105 0.06519605 -0.27790273 0.08665510 Ni 1.74621244 12.21953026 0.00486471 0.14550892 0.51311115 -0.19822497 Ni 1.75873167 10.48101233 1.71857460 -0.11136335 0.23265643 0.62806129 Ni 0.01034343 12.27560180 1.73045875 -0.22694068 -0.15279300 0.09545204 Ni 3.47279640 10.47830658 0.02920445 0.30526938 0.10970918 -0.40286747 Ni 5.23715669 12.21526452 0.01658328 0.10774599 0.14055869 -0.14867467 Ni 5.25031186 10.49450878 1.75902606 -0.16771950 0.17151177 0.17672730 Ni 3.51637683 12.27554397 1.74988238 -0.22901064 -0.08066804 0.25540264 Ni 7.00289566 10.48086048 0.01497236 -0.04890348 0.13459785 -0.18879285 Ni 8.73519156 12.23764973 0.02030649 0.18208360 0.13681909 -0.10226780 Ni 8.75936372 10.46971995 1.77619078 -0.02053209 0.32628634 -0.18654290 Ni 7.02584713 12.26885972 1.78420653 -0.20152309 -0.23848315 -0.27510638 Ni 10.51383658 10.51526675 0.00048587 -0.23237241 -0.18347499 -0.28150994 Ni 12.24295140 12.23663479 0.02291295 0.25001196 0.21352565 -0.33612285 Ni 12.21309738 10.52227684 1.77665486 0.68303015 -0.15252260 0.05647042 Ni 10.51813628 12.26510714 1.73987851 -0.35691197 -0.12254389 0.12946677 Ni 14.01166581 10.46709566 0.00566038 -0.14384986 0.20070857 -0.03332196 Ni 15.76150243 12.25046542 0.02963283 -0.17041271 -0.13274839 0.08050565 Ni 15.74947605 10.47570125 1.72530055 0.16946987 0.30006937 0.31961304 Ni 14.00636806 12.27663812 1.73380655 -0.30695773 -0.41855271 0.33903540 Ni 0.02121095 14.02805583 0.00049161 0.30369537 -0.12096499 0.22950310 Ni 1.78441214 15.72770732 0.03253134 -0.14794603 -0.10337468 0.09354673 Ni 1.71884276 14.03151060 1.75852522 0.49687637 -0.65167984 -0.21756938 Ni 0.01598207 15.72887255 1.75919925 0.14701044 -0.15152296 0.02627433 Ni 3.51632181 14.00425818 0.00091800 0.01398838 -0.11191204 -0.05128118 Ni 5.27329799 15.73648799 0.00384427 -0.17705981 -0.22470758 0.23575116 Ni 5.29872392 14.01454798 1.78393584 -0.52790348 -0.20919890 -0.21381272 Ni 3.48387813 15.72706833 1.75905706 0.51592471 0.27069041 -0.10480654 Ni 6.97094509 13.96233298 0.01948951 0.21392621 0.06354046 -0.35770533 Ni 8.72110106 15.72199894 0.03963836 0.10462313 -0.15863769 0.01139964 Ni 8.77504941 14.02470960 1.77082115 -0.23419296 -0.34586050 -0.24099536 Ni 6.99090482 15.72015244 1.72586119 0.13213655 0.45754120 0.32109621 Ni 10.52198673 14.02652783 0.01102994 -0.24157819 -0.19368009 -0.23343755 Ni 12.25478701 15.71642943 0.01255232 0.20918526 -0.11925463 0.33887739 Ni 12.23580775 14.02474470 1.77290546 0.45811596 -0.17943643 -0.19376921 Ni 10.48452986 15.74513674 1.78170705 0.16036459 0.43415861 -0.28751245 Ni 14.03223984 13.97737968 0.00500739 -0.36562022 0.36373434 -0.29200120 Ni 15.73876370 15.74193959 0.00890876 -0.56587847 -0.47337073 0.53227841 Ni 15.71867709 14.00915994 1.71551771 0.42855501 0.26470096 0.37983072 Ni 14.01999127 15.76728442 1.79409126 -0.11399127 0.01151904 -0.30617500 Ni 0.02161766 0.02132205 3.53372784 -0.00745528 0.00621301 -0.20995414 Ni 1.71477288 1.72762606 3.54058265 0.66559394 0.64951510 -0.37142426 Ni 1.78261571 0.03216853 5.23300305 -0.18417917 -0.63122771 0.34047076 Ni 0.00669913 1.77308253 5.21534325 -0.35699466 -0.14847736 0.48113001 Ni 3.47205246 0.00352404 3.45899784 0.24058932 -0.22111869 0.14118794 Ni 5.22998888 1.77156935 3.47087085 0.22210053 -0.12016983 0.36123578 Ni 5.22739321 0.02011141 5.21849786 0.22425505 -0.30750173 0.04944803 Ni 3.51973334 1.73275511 5.25097170 -0.02433735 0.44615385 -0.41973461 Ni 7.03172746 0.01956873 3.51152016 -0.33108538 -0.21179023 -0.10718198 Ni 8.74524576 1.78080175 3.52975081 0.23707399 -0.15781107 -0.36449702 Ni 8.76010179 0.02494262 5.28279582 -0.11654677 -0.41649647 -0.24502867 Ni 7.00590749 1.75291928 5.24300955 -0.28689663 0.18873369 0.15682367 Ni 10.47690842 0.00051672 3.52693926 -0.00063616 -0.09637682 -0.15075438 Ni 12.27737020 1.73093220 3.47292322 -0.44739683 0.42259335 0.59191978 Ni 12.21807796 0.02684416 5.29362595 0.14061115 -0.24745362 -0.22078636 Ni 10.49190426 1.75709007 5.27694878 0.24250685 0.17289765 -0.37932479 Ni 13.96501353 0.00292793 3.51100240 0.26298119 -0.38820764 -0.06525574 Ni 15.75392198 1.74007682 3.48396162 0.23365997 -0.02069472 0.14378289 Ni 15.75301818 0.01470505 5.22057162 -0.10498918 0.06261647 -0.06467703 Ni 14.02323721 1.72168330 5.23699923 -0.43842829 0.38220972 -0.05340373 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12.25889709 3.52977777 5.28301425 -0.23657727 -0.45936022 -0.56934138 Ni 10.46965905 5.27931889 5.24721936 0.17380888 -0.25294927 0.12258795 Ni 13.97877508 3.48026780 3.48752146 0.04745177 0.27942503 0.15718594 Ni 15.73503906 5.23731697 3.51585822 0.07023191 0.06813083 -0.25150785 Ni 15.72234259 3.48159192 5.22405483 0.20745832 0.07110678 0.23266993 Ni 13.97921067 5.26097842 5.27914031 0.20900832 -0.25484192 -0.45532632 Ni 0.02449944 6.96724769 3.46702725 -0.23088953 0.40981378 0.38482687 Ni 1.75387093 8.76983505 3.51176455 -0.19234548 -0.47867216 -0.36944056 Ni 1.75023329 6.99518714 5.27753256 0.12298106 0.18919928 -0.45907282 Ni 0.00487951 8.76513827 5.23994715 -0.39564643 -0.22759688 -0.19174951 Ni 3.46789263 6.99028737 3.52254829 0.28388887 0.19777478 -0.25331174 Ni 5.27596372 8.77292611 3.54768071 -0.39418938 -0.31093160 -0.48015575 Ni 5.23563162 6.97430003 5.23942637 -0.12031837 0.18685137 0.38159127 Ni 3.47328555 8.77892503 5.21521381 0.44323848 -0.33274477 0.68956686 Ni 6.97422393 6.99539964 3.51529044 0.31150934 0.24732513 -0.42787226 Ni 8.77779938 8.74881246 3.52134172 -0.42844480 -0.15092787 -0.30928880 Ni 8.72545988 7.02747802 5.26869289 0.26819074 -0.24074397 -0.21237139 Ni 6.98753800 8.74363947 5.26584164 0.27497758 0.26636763 -0.04467740 Ni 10.49248868 6.98891022 3.51292567 -0.11206254 0.27274964 -0.35194681 Ni 12.22052884 8.74503444 3.49682623 0.25062753 0.16090714 0.17023938 Ni 12.20978534 6.99366320 5.21868474 0.35192320 0.31931425 0.52412681 Ni 10.47110327 8.75780015 5.28064069 0.42904958 -0.24505013 -0.27210697 Ni 14.02324068 6.99951015 3.49569254 -0.39098657 -0.20054331 -0.07146935 Ni 15.75982255 8.74983828 3.48908037 0.31019433 -0.06196314 0.16473938 Ni 15.71786358 6.97426631 5.28483998 0.63872589 0.11437234 -0.16690287 Ni 14.02560141 8.71670138 5.24861164 -0.43830260 0.35785486 -0.08599750 Ni 0.01553344 10.51780743 3.51456573 -0.32116742 -0.13674046 -0.51339623 Ni 1.74235073 12.25687086 3.50314470 0.61196105 -0.26039061 -0.39366257 Ni 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15.78112428 14.02012728 -0.25480631 -0.15339407 -0.11950357 Ni 1.76338178 13.97234953 15.78184775 -0.09414735 0.55637481 -0.03897526 Ni 0.00136900 15.73687610 15.74839484 0.68748839 -0.64316184 -0.60460016 Ni 3.50387261 13.97618298 13.97470559 -0.28236588 0.29848014 0.40142638 Ni 5.22209193 15.72191531 14.00757083 0.31450224 0.30168199 -0.08407249 Ni 5.27664729 14.00907146 15.77208150 -0.10842591 -0.05491327 0.07213695 Ni 3.51722152 15.76422832 15.71688372 -0.09355609 -0.42371226 -0.07462908 Ni 6.97024860 13.96284267 13.97607606 0.30231802 0.56030341 0.55006756 Ni 8.78262998 15.77689221 13.99896117 -0.40007732 -0.10472190 0.25579794 Ni 8.75748642 13.98687741 15.74651705 -0.32853629 0.08105858 0.12093032 Ni 7.00061017 15.77446402 15.75885761 0.09938522 -0.49549640 -0.56272484 Ni 10.48127119 13.99040468 14.02779791 0.39046714 -0.03627961 -0.29217169 Ni 12.24576338 15.75758184 14.02621657 -0.16081882 0.04873204 -0.14686701 Ni 12.26595571 13.99142884 15.76896297 -0.35587675 0.16701160 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