500 Lattice="17.4835492555734 0.0 0.0 0.0 17.4835492555734 0.0 0.0 0.0 17.4835492555734" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2034.6329610176097 stress="-0.006411035505503629 8.313554906738117e-05 0.0003823022757030091 8.313554906738117e-05 -0.00640573131869913 0.0003313451201700639 0.0003823022757030091 0.0003313451201700639 -0.006173594852508327" free_energy=-2034.6329610176097 pbc="F F F" Ni 0.00882488 0.02783526 0.01363860 0.39954314 0.36557129 0.30620804 Ni 1.73765853 1.75276136 0.00928247 0.11555496 -0.15969770 -0.30183994 Ni 1.68976976 0.02487803 1.75077373 0.45442981 -0.38033738 -0.08504893 Ni 0.00177440 1.71947944 1.72088773 -0.33059884 0.40389037 0.24809865 Ni 3.50587547 0.00992213 0.01443219 -0.15716519 0.30969729 0.33609531 Ni 5.25123927 1.74309939 0.01696032 -0.08833440 0.15535351 -0.28053639 Ni 5.23885465 0.03243408 1.75713238 -0.15914657 -0.50791804 0.01100233 Ni 3.48921455 1.72747900 1.78142481 -0.09670234 0.23274709 -0.32784594 Ni 6.93960504 0.00596116 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0.00878544 0.32904549 -0.30414777 -0.32404859 Ni 15.68670612 5.28779120 0.00941022 0.09386742 -0.27719089 -0.01094113 Ni 15.73863116 3.50086379 1.71682361 0.19094038 -0.14194702 0.04165218 Ni 14.00444617 5.21119469 1.73433800 -0.26581270 0.44328983 0.33507342 Ni 0.00829152 6.99594327 0.00385724 0.38323582 -0.01577737 0.46364580 Ni 1.76841598 8.74006198 0.01134301 -0.18723911 0.01145264 -0.16577526 Ni 1.76738493 7.01807747 1.77358276 -0.24985137 -0.32596455 -0.29278877 Ni 0.01116370 8.74005377 1.76657699 -0.35086437 -0.16368555 -0.36881154 Ni 3.51592000 7.01566793 0.02509085 -0.23021796 -0.33334467 -0.46744386 Ni 5.22489307 8.75138965 0.02997292 -0.01494160 0.20088834 -0.44938780 Ni 5.29222591 6.95817390 1.71907045 -0.47997031 0.28832810 0.45433627 Ni 3.50782962 8.70846004 1.74877641 -0.01042623 0.39146031 0.35953333 Ni 6.98786664 7.04175146 0.00879343 0.33960470 -0.28460258 -0.42569791 Ni 8.76968827 8.76551812 0.00132882 -0.38545167 -0.02296010 -0.04489417 Ni 8.72033509 6.98863033 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15.70638674 10.49396722 1.72717087 0.21656903 -0.14086814 0.34158786 Ni 13.96283675 12.25542810 1.72084931 0.28472425 -0.34659800 0.51528705 Ni 0.03327105 14.01683574 0.01860665 0.00649055 -0.22383685 0.26025725 Ni 1.72245504 15.70982661 0.00911046 0.20739181 -0.07397116 0.33423938 Ni 1.72652586 13.97794985 1.71888540 0.28682592 0.05937655 0.47370688 Ni 0.01169004 15.73924640 1.78088419 0.34297834 -0.25739580 -0.08971292 Ni 3.47696758 13.98044137 0.01032228 -0.03153291 0.10583048 -0.39536264 Ni 5.24696476 15.72761285 0.00114553 -0.09097285 -0.28495197 0.26991096 Ni 5.22283855 13.99008416 1.70497858 0.18682023 0.26146042 0.45089645 Ni 3.48750294 15.70602840 1.78252680 -0.09840251 0.21542108 -0.32422326 Ni 6.99650345 13.96228698 0.01529087 0.01489356 0.69426882 -0.44417657 Ni 8.77415759 15.72949190 0.03139107 -0.27397874 -0.29098886 0.22672344 Ni 8.71676304 13.96121118 1.74226233 0.27901097 0.36058701 0.34110585 Ni 6.96623859 15.76137574 1.75508937 0.29024063 -0.00602099 -0.29611109 Ni 10.47402346 13.96961191 0.02629803 0.16038284 0.24179387 -0.31524279 Ni 12.26694500 15.71371880 0.02655196 -0.22129117 -0.15985505 0.18397394 Ni 12.23870672 13.96981877 1.73701264 -0.27306274 0.25225833 0.28815673 Ni 10.48357012 15.72006393 1.75190401 0.14468278 0.11307277 0.16142103 Ni 13.95598833 13.97778710 0.03039882 0.69905329 0.32764854 -0.52199728 Ni 15.75065665 15.74491668 0.02405128 -0.78502167 -0.71354765 0.66960024 Ni 15.72759017 13.97142562 1.71640716 0.18620475 0.34944424 0.01243819 Ni 13.98742214 15.72152746 1.76678251 0.20170043 0.26347675 -0.25504451 Ni 0.01099560 0.02385046 3.50561810 0.10525464 0.22288128 0.05989125 Ni 1.75928089 1.74649805 3.52850092 -0.34651324 0.07743251 -0.63472886 Ni 1.76508415 0.01451558 5.22116646 -0.37088378 -0.45947253 0.40612363 Ni 0.02450689 1.78279270 5.24026067 -0.38506840 -0.30218289 0.22473953 Ni 3.46924823 0.02371103 3.49902383 0.34007309 -0.53120549 -0.16464274 Ni 5.25474715 1.78186272 3.46736027 -0.21592510 -0.25590908 0.72150325 Ni 5.27291407 0.01955420 5.24006899 -0.39214810 -0.15756689 -0.17125688 Ni 3.46547391 1.72184593 5.21890513 0.63585367 0.29100345 0.47706102 Ni 6.97699400 0.03257582 3.47810488 0.22891998 -0.38793022 0.15229430 Ni 8.73058144 1.75004599 3.46751837 0.30020039 -0.12750123 0.12419005 Ni 8.74917426 0.03331003 5.26552737 -0.07164737 -0.39809511 -0.39974886 Ni 7.00432953 1.74103110 5.25747289 -0.06308535 0.03380625 -0.25983350 Ni 10.51070084 0.00659640 3.49498319 -0.33799387 -0.24410190 0.11253841 Ni 12.21010204 1.73234958 3.47825086 0.63583562 0.43779898 0.35404849 Ni 12.27198635 0.00815177 5.25265319 -0.19688638 -0.31644548 -0.23635851 Ni 10.52473339 1.75910024 5.26137778 -0.32835812 -0.22898607 -0.20281558 Ni 14.02165184 0.00318850 3.47065723 -0.20753720 -0.28129612 0.29458077 Ni 15.73421455 1.77935908 3.50831209 0.31718836 -0.13681731 -0.18281823 Ni 15.72967716 0.00435275 5.21067686 -0.27457266 0.26985593 0.18305808 Ni 13.99163516 1.73693905 5.22591572 -0.07750759 0.32252417 0.11004622 Ni 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12.21873549 3.50540025 5.26773116 0.49448426 -0.13732983 -0.39757930 Ni 10.51169752 5.22082285 5.24145493 -0.14599981 0.32565230 -0.02578946 Ni 14.01194691 3.51724644 3.49718043 -0.61251536 -0.21887888 0.11689222 Ni 15.72608745 5.22142895 3.48242309 0.20289307 0.29586093 0.18791324 Ni 15.73412951 3.51850296 5.24040474 0.15418762 -0.17356299 0.11486677 Ni 13.95253837 5.26118655 5.27888822 0.30960283 -0.11376047 -0.54763917 Ni 0.02633938 7.01940705 3.48806562 -0.35177438 -0.33729811 0.14609265 Ni 1.75386454 8.75754530 3.48295444 0.32903670 -0.10995264 0.47181156 Ni 1.75212115 6.97047405 5.22789580 0.14569204 0.27414471 0.09639275 Ni 0.02524127 8.71566949 5.25403012 -0.17614336 0.33777258 -0.22479767 Ni 3.52160117 6.96822198 3.51882726 -0.16583700 0.62282612 -0.40155209 Ni 5.27596730 8.71487561 3.46210541 -0.45715543 0.00144361 0.43463566 Ni 5.23065105 6.96033875 5.25327045 0.58317240 0.43745641 -0.20158790 Ni 3.50560559 8.73271615 5.26129529 0.03708134 0.22307401 -0.44556757 Ni 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5.22437991 5.21918516 13.97908355 0.45156999 0.39098519 0.13557619 Ni 5.21368913 3.48974443 15.76059012 0.56846898 0.05832666 0.19027921 Ni 3.51537375 5.24681929 15.70974502 -0.10887651 0.28101176 0.39445006 Ni 6.96937883 3.47904432 13.98231382 0.25148880 -0.05075503 0.32315995 Ni 8.71378419 5.24825101 13.95194446 0.54660452 -0.28207201 0.43567549 Ni 8.71111727 3.53266651 15.76601885 0.29873672 -0.04494549 -0.15763006 Ni 6.97888872 5.26871920 15.72522399 -0.18011297 -0.30131351 0.15267196 Ni 10.51261479 3.49475613 13.98972583 -0.42323019 0.30406773 0.12494543 Ni 12.25424041 5.21830119 13.95662073 -0.12147079 0.53765633 0.26607867 Ni 12.24896934 3.51898601 15.73609996 -0.05232191 -0.12786691 0.18821770 Ni 10.49080722 5.26334902 15.74431764 -0.11750990 -0.12811608 -0.11429278 Ni 13.99553129 3.49575508 13.98542323 0.16708750 0.29110727 0.08225887 Ni 15.72135461 5.27453378 13.98768585 0.27556762 -0.43292942 0.35632981 Ni 15.73031001 3.49565541 15.76460456 -0.43687449 0.03640253 -0.50309191 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0.02328992 13.99284282 13.96647297 -0.33639696 0.16776071 0.28423298 Ni 1.72290869 15.73960374 13.96625347 0.15398715 0.11614826 0.38694033 Ni 1.74806697 13.97171864 15.71431765 -0.15668308 0.43737353 0.38903468 Ni 0.01425562 15.73235131 15.74603263 0.66798732 -0.71577488 -0.71337251 Ni 3.47984331 13.98548035 14.01093140 0.10725231 0.02708804 -0.43396998 Ni 5.27090249 15.72625618 13.95936986 -0.25246806 0.18212060 0.55784370 Ni 5.26463495 13.96917151 15.74829646 -0.14083721 0.28409348 0.13213765 Ni 3.52799189 15.70150897 15.76221125 -0.11299699 -0.27523987 -0.49582810 Ni 6.96929795 13.99706878 14.01063417 0.19956316 -0.11630043 -0.10053116 Ni 8.76585385 15.74317170 13.95756360 -0.33132355 0.19534927 0.69828164 Ni 8.77665910 13.95520337 15.71446737 -0.29295068 0.41441497 0.25956770 Ni 6.97143696 15.76771636 15.75972646 0.19495516 -0.57779639 -0.55222750 Ni 10.47732395 14.01846977 14.00718526 0.35919685 -0.38663197 -0.15195280 Ni 12.22499067 15.74652325 14.00977018 0.24621483 0.14162558 0.02310907 Ni 12.23464385 13.97699932 15.75315214 -0.05376071 0.00381392 0.13825431 Ni 10.52012489 15.73311134 15.76879694 -0.16808881 -0.27872905 -0.33861643 Ni 13.95609905 13.96436316 14.01880837 0.41170214 0.24528149 -0.15467163 Ni 15.70384575 15.75705655 14.01222025 -0.51321187 -0.66769580 0.01113178 Ni 15.74944366 13.98987910 15.74892616 -0.60565981 0.09226869 -0.46220153 Ni 13.95322099 15.71810708 15.76587162 0.17554261 -0.42127790 -0.44411810