500 Lattice="17.4459123917183 0.0 0.0 0.0 17.4459123917183 0.0 0.0 0.0 17.4459123917183" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.5403445389177 stress="-0.00973741932923255 0.0004759707596797378 -0.0004826899659178109 0.0004759707596797378 -0.009733196822907944 -0.00030787022648683506 -0.0004826899659178109 -0.00030787022648683506 -0.009803209923351154" free_energy=-1996.5403445389177 pbc="F F F" Ni 0.00612235 0.00635347 0.02742710 0.24405501 0.38431842 0.13846218 Ni 1.77496008 1.75019265 0.02396289 -0.41238271 0.25360964 -0.48738587 Ni 1.71638171 0.03172954 1.73322026 0.80360386 -0.65817917 0.24354456 Ni 0.03287443 1.71507028 1.77724250 -0.59579477 0.74764473 -0.40049290 Ni 3.49451067 0.03300538 0.02555672 -0.20354726 -0.19319784 -0.18732973 Ni 5.26527628 1.72639263 0.02003368 -0.15506900 0.61633190 -0.13325401 Ni 5.20331507 0.02573132 1.74328211 0.14302922 -0.18500194 0.64057335 Ni 3.46357717 1.77111313 1.71666855 0.16989659 -0.11982913 0.74503012 Ni 6.98153202 0.03059565 0.04823521 0.03329414 -0.30096437 -0.02882732 Ni 8.70424218 1.73703574 0.01933868 0.18814473 0.18615877 -0.29665299 Ni 8.75426628 0.01428536 1.74788947 -0.10167388 -0.25810821 0.36067735 Ni 7.00172238 1.72801111 1.80296661 -0.31419414 0.38945269 -0.25252206 Ni 10.48934006 0.04636062 0.00249868 -0.18412193 -0.25124962 -0.25701497 Ni 12.21749831 1.74877405 0.01000447 0.39436696 0.12143885 -0.31211888 Ni 12.17793310 0.01969535 1.75938502 0.48667449 -0.37123326 0.01719264 Ni 10.48065821 1.72212857 1.72846437 -0.27904383 0.52969438 0.59135184 Ni 13.97983379 0.01467693 0.02114312 -0.21281377 0.18430451 0.21785538 Ni 15.71924130 1.80247327 0.02281358 -0.12164954 -0.21815568 0.07018125 Ni 15.73398552 0.00005188 1.76814104 -0.32832888 0.35296480 0.11776194 Ni 13.93930706 1.76208126 1.74113768 0.22987142 -0.23835366 0.23695308 Ni 0.01729899 3.49123360 0.03040389 -0.13434291 -0.23140311 -0.00827613 Ni 1.75686098 5.22103615 0.02722252 -0.06799521 0.32817457 -0.32281866 Ni 1.72927857 3.51330965 1.72133480 0.15953978 -0.56289573 0.66515729 Ni 0.02315626 5.25127859 1.77698179 -0.37328865 -0.15955238 -0.03054874 Ni 3.49947472 3.50035052 0.03343740 -0.24567324 -0.35793692 -0.66509376 Ni 5.20167145 5.21414408 0.01456482 0.45272186 0.28275901 -0.45418911 Ni 5.21337774 3.51478184 1.72309529 0.42966737 -0.69355892 0.35646070 Ni 3.48002417 5.19903072 1.74734093 -0.20229725 0.69323793 0.33198602 Ni 7.00087384 3.48945043 0.02158570 -0.32681162 -0.25456461 -0.28495131 Ni 8.69167529 5.26504011 0.02138558 0.42451105 -0.31020429 -0.22850365 Ni 8.73549161 3.47000185 1.70976653 0.00524195 0.08506312 0.68437544 Ni 6.95318813 5.20059028 1.73572993 0.26011843 0.37394191 0.21945826 Ni 10.49096062 3.47286789 0.02582545 -0.29611879 0.15746948 -0.48088411 Ni 12.23570617 5.26598773 0.03439606 -0.13760124 -0.45986548 -0.44925984 Ni 12.18835986 3.46364845 1.73580181 0.58769343 0.19085418 0.29819106 Ni 10.47974566 5.20295169 1.76223585 -0.20115209 0.19753057 -0.37269509 Ni 13.97948478 3.51079477 0.02553305 -0.45383815 -0.22227334 -0.32065463 Ni 15.72716192 5.22517277 0.02844798 -0.08035822 -0.07145482 -0.09661452 Ni 15.68199155 3.46379975 1.77393556 0.45400572 0.11002598 0.16663257 Ni 13.98068649 5.21404403 1.73371221 -0.32313341 0.40243062 0.51609707 Ni 0.01267732 6.98844440 0.03568058 -0.02553312 -0.13244592 -0.05977164 Ni 1.74764464 8.71193341 0.00314309 0.30354628 0.07238544 -0.16084835 Ni 1.72579147 7.00703013 1.76556633 0.44671805 -0.50663686 -0.20695594 Ni 0.01589329 8.74996723 1.73116949 -0.38953843 -0.24376636 0.47778385 Ni 3.48475655 6.95370143 0.02709954 -0.14910446 0.22236535 -0.21344457 Ni 5.25662535 8.73221323 0.02045284 -0.40011908 -0.06857091 -0.04705464 Ni 5.21634519 6.94930935 1.73233350 0.17788759 0.21952226 0.41008333 Ni 3.46707076 8.69956029 1.76493190 0.27594564 0.23135712 -0.21652313 Ni 6.99465801 7.00005821 0.00439242 -0.18834741 -0.05503488 0.09599917 Ni 8.74122449 8.73816990 0.00545925 -0.26897567 -0.19981518 -0.07603558 Ni 8.74393155 6.94228377 1.77514285 -0.21249397 0.41338047 -0.54813560 Ni 6.97910120 8.74490627 1.77265922 0.03478981 -0.42083856 -0.28994500 Ni 10.45994921 6.98931258 0.01330085 -0.15766189 -0.23761009 -0.23009110 Ni 12.20179303 8.70068782 0.01951280 0.28850506 0.30123693 -0.30185657 Ni 12.17880075 6.95344340 1.71753195 0.49628701 0.42144067 0.84973520 Ni 10.48749317 8.74475402 1.72282028 -0.16407400 -0.43496648 0.51582011 Ni 13.94553771 7.00268484 0.03161680 0.08805905 -0.47770414 -0.32811482 Ni 15.67379847 8.69944147 0.01070444 0.26113415 0.04001747 -0.29302434 Ni 15.73454860 6.95132608 1.72399776 -0.03705531 0.19835851 0.57589959 Ni 13.98504671 8.70487353 1.73243758 -0.57379173 0.01044334 0.50266595 Ni 0.01079715 10.44216899 0.05675724 0.04269396 0.44851223 -0.22572815 Ni 1.75079055 12.20843223 0.02861654 -0.16209452 0.23713989 -0.13368661 Ni 1.75782575 10.43945162 1.77399166 -0.04905274 0.33835890 -0.12397997 Ni 0.01461941 12.22255599 1.79063487 0.04586027 -0.14003033 -0.31005730 Ni 3.46212200 10.49200564 0.01794581 0.25253223 -0.33693843 -0.12283897 Ni 5.26515660 12.20192705 0.02852311 -0.51460136 0.44204380 -0.25226818 Ni 5.24437150 10.49338250 1.73787092 -0.46334610 -0.47435735 0.12455517 Ni 3.45511880 12.20363758 1.75519743 0.38609036 0.37901322 -0.16828512 Ni 6.96096331 10.47690109 0.02840046 0.52182108 -0.09407057 -0.36443166 Ni 8.74950206 12.24638769 0.00517010 -0.12784498 -0.42708161 -0.22048411 Ni 8.74749830 10.45850618 1.72527612 -0.26488479 0.28523111 0.30631331 Ni 6.96279671 12.18120246 1.76131766 0.52248636 0.55815554 0.17483548 Ni 10.47178147 10.46132314 0.02898301 0.25965574 0.36412797 -0.46673022 Ni 12.24555239 12.24099014 0.02266871 -0.29301973 -0.22138425 -0.26799254 Ni 12.20051653 10.45556726 1.76411791 0.26620785 0.25377256 -0.15293511 Ni 10.45993433 12.24815981 1.73033266 0.30169994 -0.49422086 0.33097830 Ni 13.96705727 10.46646060 0.01787207 -0.55375597 -0.14302950 -0.17658898 Ni 15.68330581 12.18745826 0.00023705 -0.07286052 0.44904425 0.16879872 Ni 15.69320006 10.43202882 1.71379530 0.24984476 0.35733125 0.62611881 Ni 13.93786369 12.23859757 1.73302111 0.30002660 -0.21201781 0.34727734 Ni 0.00779460 13.96742606 0.00995652 0.32494987 -0.17118529 0.31255187 Ni 1.77973087 15.73262797 0.01491077 -0.17788978 -0.24501056 0.10631909 Ni 1.77923079 13.95595313 1.76959796 -0.58066643 -0.17713398 -0.32103659 Ni 0.01391648 15.71157972 1.76591414 0.07836219 -0.29518826 0.07430622 Ni 3.50789031 13.98788193 0.00117937 -0.18983789 -0.61364795 -0.15762480 Ni 5.27738609 15.67002371 0.02627719 -0.04825012 0.15050076 -0.06781317 Ni 5.21635279 13.98749554 1.75646178 0.27711399 -0.67556586 0.02494873 Ni 3.46223672 15.67018831 1.74580899 0.27442342 0.57450502 0.16918713 Ni 7.01203995 13.91960046 0.01398733 -0.29513845 0.14574551 0.05919542 Ni 8.70030640 15.69773141 0.03422436 0.17594855 -0.07897555 -0.11011887 Ni 8.75154641 13.93984013 1.73996582 -0.68694201 0.12645296 0.42499575 Ni 6.99292693 15.73203446 1.75418704 -0.03030249 -0.22980294 0.31837008 Ni 10.49057697 13.96999892 0.02352816 -0.18968542 -0.12252965 -0.26481926 Ni 12.18554210 15.67304743 0.00064752 0.26972356 0.18845443 0.31184475 Ni 12.22125853 13.94862068 1.77529408 -0.18142665 0.19716126 -0.18420127 Ni 10.43422215 15.69512201 1.77973544 0.22305343 0.31023024 -0.22112753 Ni 13.94239679 13.98132620 0.02303766 0.32322689 -0.09812697 -0.15117677 Ni 15.71837803 15.72452836 0.03200674 -0.38681493 -0.41746841 0.34291027 Ni 15.72734289 13.97683295 1.76454787 -0.00079289 -0.20166876 -0.22469359 Ni 13.97838256 15.69105008 1.75792103 -0.32739808 0.33287000 -0.14017322 Ni 0.01982166 0.01286863 3.48429750 -0.14134248 -0.24585284 0.30559249 Ni 1.71354504 1.71070653 3.47844882 0.74874818 0.61687454 0.21058415 Ni 1.75018040 0.00475280 5.27810634 -0.16856334 -0.15925327 -0.35125951 Ni 0.03042103 1.76755190 5.26496345 -0.16658143 -0.16504015 -0.13312031 Ni 3.45165183 0.01196424 3.52216005 0.00974186 -0.18983794 -0.61663754 Ni 5.20480623 1.78364830 3.47857860 0.15060601 -0.38139424 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Ni 12.20497448 3.51165188 5.20946018 0.17184767 -0.30349545 0.26573407 Ni 10.44601483 5.22149279 5.27596637 0.09773461 0.08131443 -0.28995181 Ni 13.97175276 3.49771981 3.48246014 -0.44974741 -0.35369901 -0.09531217 Ni 15.70082262 5.21052683 3.49452288 0.16091480 0.36268520 0.00122416 Ni 15.67123236 3.46717732 5.22962193 0.29082320 -0.04698113 0.25225423 Ni 13.94147370 5.20727017 5.21617295 0.29635849 0.31244329 0.21261681 Ni 0.01355855 7.01988219 3.46188685 -0.46245947 -0.39137945 0.21807862 Ni 1.72211858 8.70893664 3.47291754 0.52698723 0.55268082 0.36454625 Ni 1.72617810 7.00605752 5.22371605 0.15111217 -0.39670014 0.18270184 Ni 0.01676170 8.72259807 5.21187761 -0.25379314 0.27934352 0.31853826 Ni 3.45169305 6.97585270 3.51844153 0.24440495 -0.20507397 -0.36201122 Ni 5.20713671 8.75159958 3.47756313 0.14180788 -0.34003930 -0.04341506 Ni 5.22393019 6.99842148 5.21167163 0.18223780 -0.50520085 0.09748822 Ni 3.50918521 8.71854838 5.25523897 -0.38233625 0.42415102 -0.41349807 Ni 7.01321012 6.95781680 3.47371455 -0.50705513 0.07373229 0.04933013 Ni 8.74701593 8.69970964 3.45776705 -0.33755322 0.17838082 0.15338227 Ni 8.70921825 6.98902333 5.25540362 0.21830477 -0.19698156 -0.44815478 Ni 6.95313631 8.70482462 5.23234738 0.24837508 0.29784979 -0.29293796 Ni 10.45200024 6.97233435 3.47572610 0.41622281 0.09178493 0.20192710 Ni 12.22542476 8.74915545 3.52376499 -0.11047403 -0.53931685 -0.54475833 Ni 12.22391903 6.94464427 5.23624999 -0.15359797 0.40087338 0.19403605 Ni 10.43756019 8.71782600 5.21709793 0.53348423 -0.29506120 0.42899470 Ni 13.96997252 7.00845380 3.52129145 -0.23645642 -0.62586835 -0.66375706 Ni 15.67412461 8.71039920 3.51737071 0.52820313 0.20228550 -0.45681853 Ni 15.69382928 7.00326253 5.26288879 0.23310408 -0.43199206 -0.23848608 Ni 13.96908720 8.72881095 5.21172713 -0.34828476 0.16272861 0.58166275 Ni 0.00911076 10.47408603 3.50083170 -0.15472957 -0.15773286 -0.21931171 Ni 1.77341385 12.18667722 3.51839801 -0.28096720 0.38141117 -0.29567184 Ni 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13.95359028 10.46461538 3.45874460 0.13198307 0.24359679 0.02702782 Ni 15.67428665 12.25306759 3.46953767 0.18014063 -0.27033614 -0.03244014 Ni 15.68287578 10.50081838 5.22435232 0.05989010 -0.03535755 -0.04644804 Ni 13.94542638 12.25791652 5.21240596 0.15474311 -0.45210541 0.15030742 Ni 0.01215219 13.90838022 3.49358121 -0.03233090 0.35701489 -0.03753544 Ni 1.73072784 15.70981020 3.46245553 0.35376650 0.04477250 0.26914259 Ni 1.71931015 13.97479878 5.25832592 0.34055674 -0.21510224 -0.44742723 Ni 0.00250260 15.71138759 5.17432060 0.03145206 -0.08522387 0.17542531 Ni 3.46614306 13.95707343 3.48415503 0.13942403 -0.19938791 0.18483216 Ni 5.20904336 15.70419158 3.45794021 0.16078935 0.16045335 0.13802790 Ni 5.23459642 13.92714044 5.21596360 -0.21049417 0.37344034 0.14921638 Ni 3.50171237 15.67273101 5.21219326 -0.06598905 0.16953587 0.00513195 Ni 6.94627960 13.94147640 3.50835289 0.28782298 0.13696631 -0.66463549 Ni 8.70278850 15.69509203 3.50377500 0.09213497 0.23207587 -0.24527427 Ni 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