864 Lattice="20.989377019762617 0.0 0.0 0.0 20.989377019762617 0.0 0.0 0.0 20.989377019762617" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3578.297456400229 stress="-0.00579549400866471 2.709339888484366e-05 -0.0001866386424208845 2.709339888484366e-05 -0.0059346108621222745 -0.00021272795572880056 -0.0001866386424208845 -0.00021272795572880056 -0.005888842078507221" pbc="F F F" Ni 0.02433059 0.01413301 0.01817511 0.65008186 0.67335285 0.64418756 Ni 1.74427393 1.78102930 0.01135069 -0.07185105 -0.38725098 -0.18638806 Ni 1.76334853 0.03414874 1.74833713 -0.17091215 -0.33773447 -0.24103591 Ni 0.02329349 1.74987763 1.75553913 -0.34833367 -0.19590244 -0.20201771 Ni 3.51271839 0.00185306 0.02737042 -0.09845213 0.35838721 0.11882976 Ni 5.29002191 1.75818012 0.01852842 -0.19588825 0.06131867 -0.21319235 Ni 5.24784317 0.01945758 1.72271507 0.19627184 -0.29088230 0.19423891 Ni 3.50512263 1.73422322 1.73047767 0.03939911 0.38383265 0.04910597 Ni 6.99077567 0.00088812 0.01275319 0.15574270 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0.28755745 -0.31174612 -0.26457920 Ni 12.25791320 5.27185349 0.00337039 -0.01613568 -0.23305369 -0.10409451 Ni 12.20994389 3.50739328 1.74596798 0.59308966 -0.09194101 -0.09304540 Ni 10.48030091 5.21398070 1.72379107 0.11436503 0.44344296 0.38727585 Ni 14.01348153 3.45067365 0.02539269 -0.19921770 0.37377324 -0.19629856 Ni 15.73811427 5.22834200 0.01716276 0.07113412 0.05961181 -0.39209189 Ni 15.77593920 3.51873192 1.77773800 -0.05118308 0.02666528 -0.32914443 Ni 14.02099826 5.27344443 1.73789648 -0.29611458 -0.52225007 0.22403161 Ni 17.51737260 3.49962291 0.00860085 -0.20035060 0.10354175 -0.37709456 Ni 19.22247556 5.23878811 0.02794736 -0.16490531 0.15200816 0.19169414 Ni 19.22058449 3.46853274 1.72568366 0.35884693 0.47491097 0.39445948 Ni 17.49966604 5.27525162 1.72812463 0.07552990 -0.14876374 0.46562637 Ni 0.03487104 6.98709597 0.01058580 0.28652090 0.14463961 0.32927475 Ni 1.73685463 8.78312705 0.00011601 0.14316155 -0.28765732 -0.20508338 Ni 1.77983561 7.01340278 1.73520592 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0.15489214 -0.22611186 -0.47346919 Ni 15.71974869 8.72568789 0.02264960 0.17139368 0.32416113 -0.29948607 Ni 15.73979442 6.97771878 1.72788892 0.06021516 0.14622806 0.42221543 Ni 13.97633637 8.75885658 1.71652747 0.18708410 0.14832550 0.76580559 Ni 17.48415887 7.02119236 0.01398597 0.23546261 -0.11199216 -0.28896615 Ni 19.24370952 8.76917618 0.02854081 -0.37760029 -0.13621454 0.25472640 Ni 19.23999963 7.00561534 1.76799238 0.11830506 -0.01251674 -0.33418601 Ni 17.46431529 8.74041427 1.74763627 0.20292653 0.09004510 -0.17813673 Ni 0.00525474 10.45568462 0.03158549 0.12525710 0.19738783 0.12339838 Ni 1.73101893 12.21909446 0.02322676 0.03019541 0.24913804 -0.40773222 Ni 1.77090196 10.53146220 1.74752220 -0.26796796 -0.19136259 0.36799993 Ni 0.00121457 12.23703527 1.71438787 -0.21197895 -0.02455117 0.42966061 Ni 3.48617740 10.52595514 0.03472863 0.00736161 -0.28258134 -0.51571463 Ni 5.22019130 12.21008162 0.01526160 0.21712026 0.48830438 -0.24855183 Ni 5.23172643 10.46212010 1.72057725 0.19603788 0.32688100 0.59262993 Ni 3.51409745 12.27059043 1.75025799 -0.10458180 -0.15320104 0.28407242 Ni 7.02671384 10.53037967 0.00883847 -0.20998851 -0.22386207 -0.25387041 Ni 8.75673985 12.24660176 0.00259530 0.11656145 -0.02077730 0.10115944 Ni 8.71095970 10.47535361 1.76403294 0.51265019 0.39746525 0.15346907 Ni 6.97149849 12.25395610 1.73521762 0.13105640 -0.18252976 0.35611674 Ni 10.52085743 10.50236235 0.00405647 -0.28660804 -0.04133798 0.02209512 Ni 12.23281200 12.26546008 0.01499255 0.09578854 -0.16745849 -0.38751856 Ni 12.22138875 10.51094217 1.76246932 0.07265045 -0.30648529 0.11355030 Ni 10.51926610 12.27063746 1.78394876 -0.58315207 -0.42585733 -0.15887834 Ni 13.98540685 10.48586207 0.00662776 0.09760936 0.20094632 -0.27670712 Ni 15.77451330 12.22708723 0.00421198 -0.40146043 0.25563763 -0.23224299 Ni 15.75227128 10.52485591 1.76021885 -0.34098525 -0.43600331 -0.16440982 Ni 13.96418315 12.21919168 1.71471051 0.30604185 0.36346629 0.24314951 Ni 17.48328711 10.50806385 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8.77585198 15.74568173 17.47147083 -0.32337732 0.03998028 0.30717862 Ni 8.71158045 13.98324201 19.23588826 0.35875994 0.24018320 0.29353116 Ni 6.97261125 15.70981486 19.21400297 0.23690075 0.15757032 0.19687496 Ni 10.47222897 13.99646409 17.50553732 0.37266531 0.12327585 0.17221970 Ni 12.23428015 15.76409050 17.47752884 -0.00832296 -0.16808056 0.30477360 Ni 12.26295824 13.99766971 19.24983055 -0.08668131 0.21941187 0.19585694 Ni 10.49723975 15.76765880 19.27071208 0.11623465 -0.28151200 -0.06051384 Ni 13.96082635 14.01449882 17.48886120 0.43305628 -0.29761601 0.00602059 Ni 15.71757521 15.77579524 17.51711408 0.13902325 -0.36357549 -0.45439138 Ni 15.73549898 14.01843387 19.26132417 0.05706756 -0.31472791 -0.09612003 Ni 14.01054473 15.74188628 19.21988076 -0.38244247 0.19267710 0.33314312 Ni 17.47141189 13.95861643 17.48544378 0.16184476 0.42535200 0.23180618 Ni 19.25326014 15.76298894 17.50062579 -0.13798810 -0.24850971 -0.05383319 Ni 19.21570097 13.99431647 19.27378569 -0.50984446 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17.45964203 -0.19053505 0.35518724 0.31084325 Ni 12.24315804 19.25747024 17.47105673 -0.09835399 0.17137751 0.27543248 Ni 12.23300489 17.52487582 19.23062139 0.11706686 -0.08390681 0.07818373 Ni 10.46976115 19.21174844 19.22816136 0.00416075 -0.26298524 -0.41490399 Ni 14.00243348 17.52553174 17.50880097 -0.22264736 -0.19249782 -0.30784894 Ni 15.72682883 19.21003677 17.47424717 0.28093935 0.24671556 0.03741136 Ni 15.71489397 17.50329632 19.26709584 0.19669748 0.19510254 0.18641337 Ni 13.99884307 19.24334029 19.22474955 -0.06116569 -0.16123421 -0.22662858 Ni 17.47127374 17.45779140 17.51513926 0.27669684 0.75115396 -0.32794529 Ni 19.26134871 19.21193177 17.50564997 -0.72027150 -0.36814418 -0.03717607 Ni 19.23012155 17.52505716 19.21135456 -0.46927131 -0.04025805 -0.22987852 Ni 17.45651985 19.26248407 19.26782305 0.10176939 -0.65922321 -0.73164905