4000 Lattice="32.75680058796446 0.0 0.0 0.0 32.75680058796446 0.0 0.0 0.0 32.75680058796446" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-10187.879997405154 pbc="F F F" H 0.00729292 -0.00347904 0.04890117 1 0.49431281 0.42979879 -0.02224888 Ni 1.61185586 1.64536702 -0.01274839 28 -1.43686553 -0.48849467 1.02300926 H 1.64078552 0.01311329 1.58769053 1 0.93199399 0.75263637 -0.20309199 H 0.01249594 1.64332908 1.66400234 1 0.91168225 0.31172974 0.02854305 Ni 3.29391915 0.00541487 -0.01342642 28 0.25691080 0.77398617 0.56653174 H 4.90755272 1.61311918 0.02605956 1 0.03551209 -0.55908346 0.42319269 Ni 4.93622471 0.01790030 1.61417684 28 0.22380984 -0.51082823 -0.05389328 Ni 3.26826137 1.65481469 1.61623733 28 0.97657746 0.60287928 0.05719412 Ni 6.54867860 0.03275637 0.00709712 28 0.71169088 1.66351965 0.59469241 H 8.19121237 1.61932876 0.01336404 1 -0.51793193 -0.39432181 0.23456163 H 8.21082566 0.01594810 1.64298298 1 0.22518236 0.15252292 -0.59053329 Ni 6.54471374 1.65961822 1.65980901 28 -0.36369156 -0.94710792 -1.23579073 Ni 9.80330429 -0.00127328 0.02554574 28 -1.51849410 0.33229897 0.54578184 Ni 11.45272506 1.63548148 -0.00767072 28 -0.27660617 1.53803205 -0.53533800 Ni 11.48524199 0.02868577 1.65064347 28 0.78993765 -2.05600196 0.46428947 Ni 9.83586304 1.64479352 1.65198591 28 -0.62141043 0.32335437 -2.00771977 Ni 13.12797546 0.01945091 -0.02350267 28 -0.41845225 -0.71313860 -0.88631615 Ni 14.75235927 1.63704652 0.00003121 28 0.54530610 -0.72257206 -2.00311436 Ni 14.70849377 -0.00727037 1.64742159 28 0.04144408 -0.17127666 1.11710701 Ni 13.11954416 1.63352118 1.62768702 28 -0.25585810 0.94610159 2.32871054 H 16.41023495 0.00774520 0.00828550 1 -0.40497301 0.33124153 0.41310530 H 18.02674434 1.60309409 0.00416784 1 0.90553390 0.20705728 0.41776981 H 18.04564806 0.03133311 1.66296582 1 0.38418976 0.42573112 -0.19568904 Ni 16.36613955 1.67007137 1.63566701 28 2.17576478 -0.71739137 0.54206035 Ni 19.68586668 -0.00211258 -0.01549930 28 -0.51600356 2.20258690 1.10366465 H 21.30626503 1.59246174 -0.02661201 1 -1.10340504 -0.36329590 1.18525454 Ni 21.30336135 -0.00194064 1.58103797 28 0.03141430 1.05805418 0.19231319 Ni 19.62919030 1.65445997 1.62275703 28 -1.55295723 -0.06076124 1.87700648 H 22.97380401 -0.00262184 -0.03264042 1 -0.13111594 0.18681399 0.99553411 H 24.57410694 1.67306395 0.00948961 1 -0.28809259 0.03628744 1.06362117 Ni 24.57647059 0.03076132 1.64909267 28 0.94134616 1.62158216 -0.51689316 Ni 22.95715674 1.64254641 1.60797405 28 -0.63553930 0.11207497 -0.76980229 H 26.23139549 -0.01943167 0.01799796 1 0.42617104 0.27889500 0.69547416 Ni 27.85628254 1.66292601 0.00123756 28 -0.71314922 -0.01612799 1.27651865 Ni 27.84225081 -0.03197287 1.63850624 28 -0.40473953 0.87683334 -0.67769954 H 26.22557262 1.67896036 1.62729250 1 0.57878763 -0.23970903 0.26347864 Ni 29.46815675 -0.00485417 -0.02948682 28 0.50840345 1.13155560 1.42911552 Ni 31.11644827 1.62606561 0.00425465 28 -1.90871801 0.20989511 2.45238896 H 31.08809997 -0.00230813 1.65104227 1 -0.86431096 0.52537943 -0.48518620 H 29.49731103 1.63013288 1.61441595 1 -0.64517554 -0.40854303 -1.24824466 H -0.00757019 3.30534410 -0.00122258 1 0.60812449 -0.02078995 0.56093684 H 1.65373672 4.86368714 -0.00202730 1 0.07950096 -0.36022785 0.80707882 Ni 1.60732230 3.30794931 1.67163040 28 0.01727833 0.41297281 0.01677349 Ni 0.01966119 4.92045407 1.61999178 28 -0.39644337 -0.67467940 -1.05888963 Ni 3.28970548 3.27480833 -0.00919111 28 0.82998219 0.55913851 0.88829188 Ni 4.90262358 4.94754558 0.00903501 28 -0.69296040 -0.43927096 1.52342812 H 4.88455694 3.32800428 1.61312851 1 0.09315230 -0.03014215 -1.01539873 H 3.28105644 4.90568700 1.64990028 1 -0.02961365 0.08309156 -0.61344270 Ni 6.53303136 3.26737129 0.00885200 28 -0.59685272 0.01361902 0.88032838 H 8.18048499 4.93292313 0.01625656 1 -0.88280241 -0.17163838 0.02478762 Ni 8.18843113 3.28026991 1.66092052 28 0.59910979 2.37457161 -1.72693437 H 6.55330814 4.95301579 1.62925674 1 -0.64413904 0.14700666 -1.09252526 H 9.79903551 3.27480337 -0.02171087 1 0.01603181 -0.44314559 0.09960598 H 11.49719521 4.90786963 -0.00065581 1 0.69711958 -0.03750393 0.40710068 H 11.45717952 3.26760802 1.59976896 1 0.45921254 -0.09543922 -0.07189884 H 9.85522928 4.88452914 1.62210649 1 0.35113985 0.21378991 0.68703870 Ni 13.12946397 3.29845635 0.00135533 28 -1.16474806 0.78074967 -0.85365490 H 14.78624020 4.94008456 -0.00434796 1 -0.16724220 -0.65643563 0.24742592 Ni 14.67739521 3.27397216 1.61239206 28 0.79024530 0.66826338 1.71963571 Ni 13.11641695 4.91411965 1.59175532 28 -0.47032398 1.09603717 0.11416506 Ni 16.38053375 3.27976956 0.01928421 28 0.98664903 1.14345471 0.70592824 Ni 18.01880192 4.93325476 -0.02426178 28 0.11526456 0.33063569 2.32338725 H 18.05736257 3.25148807 1.63617913 1 0.11470488 0.13700125 -0.67661718 H 16.40653147 4.85275368 1.64751964 1 0.74792860 -0.32736403 0.03574355 Ni 19.67357713 3.26337688 0.00220230 28 -0.77594502 -0.03361205 0.79590175 H 21.31650258 4.90737170 0.02484898 1 -0.47459451 -0.76680327 0.19154781 Ni 21.24809358 3.25511795 1.59244043 28 0.38331573 0.29289174 0.34483334 H 19.65612778 4.91295507 1.62080624 1 -0.65936758 -0.45333120 -0.27772893 H 22.91665837 3.31115675 0.01534851 1 0.03546866 -0.36329045 0.90477042 H 24.58332033 4.88926177 -0.00026385 1 0.44833241 0.48101513 0.74877570 Ni 24.55289035 3.27445152 1.62873369 28 1.86309450 0.64871656 0.09982638 H 22.96095134 4.88889488 1.62869560 1 0.42080460 -0.47481519 0.35752155 H 26.17115665 3.27601991 -0.00537919 1 0.33797220 -0.27866331 0.62184468 H 27.82283204 4.90798565 0.03117208 1 -0.04119113 0.07677611 0.63469716 Ni 27.84832470 3.30843585 1.65780218 28 -0.85631761 0.03208378 0.08836233 H 26.20111182 4.88845366 1.62896007 1 0.25778829 0.52701376 -0.07411194 Ni 29.49839028 3.30251639 0.01586355 28 0.49931787 0.55080886 1.93446264 H 31.13143661 4.88799475 -0.01038548 1 -0.51086961 -0.52024628 -0.01151412 H 31.11062111 3.26975816 1.62260319 1 -0.47149586 -0.67618642 -1.19969944 H 29.48909543 4.94242014 1.66503045 1 -1.06221724 -0.42891666 -0.13515946 H 0.02534856 6.56497602 -0.02353753 1 0.70557247 0.53827842 0.93061445 Ni 1.63581777 8.17775717 -0.01400234 28 0.42477252 0.03986173 1.74972947 Ni 1.61108505 6.51349627 1.63743437 28 2.96372476 0.48172199 -0.71984751 Ni -0.00764653 8.16395212 1.65085522 28 0.82816518 1.03450677 -0.54312584 H 3.22672485 6.52928681 -0.00016079 1 0.00117306 0.19412849 0.49976898 H 4.92608127 8.21368770 -0.01759824 1 0.06629063 0.12613920 0.90525467 Ni 4.90767287 6.55267059 1.63731360 28 -1.72206855 0.18459697 1.95617010 H 3.25045167 8.15946321 1.63285296 1 -0.01731252 0.69760505 -0.45330833 Ni 6.52285013 6.55042043 0.03225659 28 0.93147276 -0.77794933 0.53161743 Ni 8.20702014 8.18470717 -0.03234959 28 -0.51561180 -0.72191596 -0.22303415 H 8.17124876 6.54797755 1.61435888 1 -0.52276083 0.75292197 -0.53673222 Ni 6.58647309 8.13926081 1.65738007 28 0.17128096 0.39884007 1.87987212 H 9.81967774 6.57739565 0.00337817 1 -0.12967764 0.49377371 0.21544012 H 11.46060988 8.17409468 -0.00460822 1 0.00375269 0.10098070 0.58093649 Ni 11.43511079 6.56408665 1.64078946 28 0.71896028 -0.93963265 -2.19114174 Ni 9.82638112 8.19928463 1.61398617 28 -1.18310642 -1.39816435 -0.51023787 H 13.14603506 6.54605783 0.01003912 1 0.37340119 0.55864190 0.64561117 Ni 14.74247745 8.21442333 -0.01690872 28 0.54858843 -0.34149838 2.23963086 H 14.71437083 6.58265753 1.65260296 1 -0.55229385 0.29522434 -0.31148740 Ni 13.08720930 8.21761582 1.68055508 28 1.02047417 -0.79595765 -0.09321118 H 16.35554073 6.55295072 -0.01204683 1 0.20653911 0.13794838 0.17830029 H 18.03602362 8.21123416 -0.02202594 1 0.58320614 0.15929238 0.59263594 Ni 17.98843508 6.58371642 1.66206394 28 -0.70755939 -0.39177176 -0.56170147 H 16.37476515 8.19551701 1.62867341 1 -0.09544800 -0.01692193 -0.36989209 H 19.62859397 6.57256730 -0.01508866 1 -0.83076056 -0.24624556 0.47318797 H 21.29219109 8.21668916 0.03144463 1 -0.68998507 0.39442428 0.13162386 H 21.25248081 6.57804909 1.64103663 1 -0.34999168 0.39961324 0.54157716 Ni 19.63546520 8.15923922 1.65177360 28 1.48585608 -1.31903503 -0.85562634 H 22.93389560 6.51704067 0.00057905 1 0.53013908 -0.01972089 0.38391269 H 24.55738824 8.18203855 -0.01169571 1 0.87529644 -0.14391354 0.63461122 Ni 24.61210669 6.53453728 1.61817508 28 -0.02360102 -0.58567576 0.86327403 H 22.93528614 8.19931176 1.65676741 1 0.83885913 -0.03953463 0.63079966 Ni 26.23572404 6.53764357 0.01352815 28 -0.53944907 -0.40168459 1.13454171 Ni 27.85974052 8.21295878 -0.00144931 28 0.51753916 0.08583529 1.37538672 Ni 27.82235820 6.59017934 1.61535741 28 0.36491194 0.03140174 1.35256072 H 26.17536121 8.18817953 1.62023331 1 -0.33200518 -0.48296235 -0.72315118 H 29.44678476 6.52789165 0.00269397 1 -0.25654902 0.98744504 0.24648349 Ni 31.09846577 8.18872837 -0.02688649 28 -2.07131462 -0.53839859 2.28596054 H 31.09269362 6.52727803 1.60568589 1 -0.02078255 0.58532328 -0.61846792 H 29.47316800 8.12560791 1.63605450 1 -0.23374619 0.02293185 -1.50938654 H -0.02655201 9.80889933 0.02006003 1 0.42916556 -0.25427646 0.75277772 H 1.65762494 11.45887879 0.00240946 1 -0.47596434 0.03062925 0.31952210 H 1.62293991 9.80448730 1.67892353 1 -0.23518286 -0.32461373 0.10448388 Ni -0.02764178 11.47328351 1.66401265 28 2.33687534 -0.70035148 -0.55671611 Ni 3.30452178 9.81711691 0.02350415 28 -0.84159670 -0.44327355 1.96966379 Ni 4.90987369 11.45674361 -0.01982559 28 0.54879152 0.35241891 1.86031919 Ni 4.91918914 9.81845545 1.62363456 28 1.14665970 -0.19180098 0.89817239 H 3.30351749 11.44266196 1.62701401 1 0.72134407 -1.44465226 -0.44463230 H 6.52381453 9.81477308 0.01909819 1 -0.28459509 0.10306291 0.58582196 Ni 8.20215433 11.47892123 0.01874669 28 -1.10274315 -0.14772324 -1.03674684 Ni 8.16982391 9.85484417 1.63133050 28 -2.69964798 -0.48902136 0.77781513 H 6.56915504 11.43992893 1.63688659 1 -0.10339885 -0.00110627 -0.80698254 Ni 9.81338229 9.79309649 -0.02222281 28 1.36370603 0.20758329 -1.37360060 H 11.44463903 11.43469498 -0.00255136 1 0.01983912 -0.02750104 0.03122692 Ni 11.43513956 9.82494362 1.66012698 28 2.85603237 0.76516929 -1.66830345 Ni 9.80752287 11.44325192 1.62608680 28 1.66610170 2.48788987 -0.76565415 H 13.09630819 9.81434318 0.00245597 1 1.16004520 -0.61001061 0.50348141 Ni 14.73639695 11.48028396 -0.01485362 28 -0.42252012 -1.62902744 -0.43015757 Ni 14.73454990 9.83711431 1.66274748 28 -0.10588700 -0.61033006 0.60606721 H 13.08648851 11.49958622 1.63531101 1 0.64223201 0.20662533 -0.28338606 H 16.40321192 9.81334916 -0.00645696 1 -0.73644294 0.04153560 0.32529301 Ni 18.05973340 11.48742040 -0.00591701 28 -0.33983405 -0.18513750 -1.42984388 Ni 18.00801605 9.79823953 1.62705941 28 -2.52031444 -0.42030627 0.03533349 Ni 16.35503775 11.48948479 1.62882375 28 1.19528083 -1.80793177 0.66425042 Ni 19.66659933 9.79915565 -0.02692998 28 1.11174609 -0.84555400 0.32056651 H 21.29409621 11.50970460 -0.00880869 1 -0.02711091 0.25013322 0.04693763 H 21.28587326 9.82319652 1.64020183 1 -0.93162098 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13.12939121 -0.01935101 28 2.24746782 0.98517214 2.34581049 H 1.61447941 14.74570462 0.00048971 1 -1.34026631 0.19964922 0.13546008 H 1.65564316 13.13591500 1.66967815 1 -1.43881165 -0.12702643 0.13572375 H -0.02382379 14.71169526 1.67045356 1 0.37688044 -0.00418727 0.00487638 H 3.23143660 13.12491082 -0.01929797 1 0.26840875 -0.50681596 -0.10639767 H 4.91290979 14.74484284 -0.00464602 1 0.90868216 0.18422624 0.34857178 H 4.88715028 13.07344103 1.66352520 1 0.48028844 -0.28018626 -0.63594266 H 3.25422119 14.73055971 1.63750704 1 -0.29822286 0.88907513 0.64054119 Ni 6.58053472 13.10176606 -0.02967442 28 -1.43660871 -0.00275679 0.25729930 Ni 8.19242171 14.75292368 0.01309924 28 1.24157273 -0.12593591 -1.63914201 Ni 8.18055575 13.07400650 1.63231217 28 -0.18013401 0.35470119 1.49503747 Ni 6.56780538 14.74574941 1.63821065 28 -1.51958750 -0.60182433 2.31557499 H 9.85460325 13.07149899 -0.02439555 1 -0.72613386 0.21484888 0.43540406 H 11.45217385 14.73649360 -0.00969847 1 0.04899644 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19.66196870 1.65800077 1 0.75336604 0.10511983 -0.11252483 Ni 9.84094257 21.27069937 1.62226703 28 0.86201528 1.59343649 -0.72056779 Ni 13.12387562 19.67854088 0.01657376 28 -1.15302421 -0.14791345 0.86466752 Ni 14.75208180 21.28320737 0.00887869 28 0.89532715 0.72635214 1.96133166 H 14.77738560 19.61987770 1.60607750 1 -0.25960069 -0.17281033 -1.24515762 Ni 13.07163086 21.28568651 1.63938900 28 0.66748338 0.33548019 -0.12543944 Ni 16.36414643 19.65338185 0.02749912 28 0.58163733 0.00137996 3.43758853 H 18.04783252 21.26790812 0.02596963 1 -0.17768563 0.28178667 0.17802831 H 18.01332748 19.66185747 1.66124251 1 -1.04452447 -0.63914143 0.43030868 H 16.39651330 21.31616699 1.60899218 1 -0.13234242 -0.64623084 -0.65634936 H 19.67378178 19.63996126 -0.02468964 1 -0.02608309 -0.00805413 0.06733458 H 21.31843557 21.32718401 -0.01298285 1 0.28400653 0.07976594 0.32286882 H 21.26556396 19.67396679 1.59403307 1 0.91383086 0.40948969 -0.31727198 H 19.62426429 21.28797878 1.63833199 1 0.08946503 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Ni 1.61559365 24.57845493 0.00285957 28 -1.15529816 0.61366939 1.46694400 H 1.64997889 22.94312151 1.63996956 1 -0.39189167 0.15485792 -0.90526808 H 0.01802258 24.60555088 1.63115291 1 0.48427616 -0.25718702 -0.28055649 Ni 3.28273687 22.93762396 0.02957926 28 -2.01336471 -0.82498794 -1.10834493 Ni 4.93993077 24.54895071 0.00109845 28 1.02538311 1.00875764 -0.12574909 Ni 4.90634128 22.89751960 1.63455977 28 1.08094188 -0.39451351 1.66294048 Ni 3.29452234 24.57908933 1.64058549 28 -0.90980758 0.77702480 1.33679219 Ni 6.55943270 22.90003727 -0.00253971 28 0.75891493 0.18590997 1.28072332 Ni 8.23179231 24.54787158 -0.02872521 28 0.16516515 -1.09028231 0.85979891 H 8.15457237 22.93975523 1.63380569 1 -0.15246087 0.18629117 -0.29978366 H 6.53672855 24.55806472 1.60774779 1 0.18093890 0.10230113 -0.41766338 H 9.81359920 22.92517699 0.02417743 1 -0.37653836 0.21827536 0.55508331 H 11.49067909 24.56439395 0.00714835 1 -0.28522159 -0.33897249 0.46162906 Ni 11.43405082 22.93624638 1.61317800 28 0.55179556 0.53007102 -1.00537068 Ni 9.81602553 24.56380645 1.65215485 28 0.52693062 -1.07968920 -0.96611735 H 13.06854530 22.96014958 -0.00519196 1 0.07042918 -0.71803155 0.45884406 H 14.72874852 24.58558917 -0.00051910 1 0.35939243 0.21942715 0.48464457 H 14.71830967 22.93916481 1.64011543 1 0.07679321 -0.21431960 -0.19122983 H 13.11339782 24.58921978 1.62356707 1 -0.01222155 0.16111079 0.75835122 H 16.36237797 22.93467014 0.01598423 1 0.32920484 0.09284227 0.53833673 Ni 18.04347017 24.57078295 -0.01528132 28 -1.28147688 1.08253653 0.01941954 Ni 17.99801768 22.94699525 1.61055075 28 -0.48309233 -2.06654187 1.54200067 Ni 16.36882901 24.55360586 1.62837220 28 0.45298563 -0.35617827 -0.65150128 Ni 19.65214262 22.90272965 -0.02428184 28 0.75769155 -0.96976679 0.46544832 H 21.27401323 24.58495057 -0.00977013 1 -0.77789372 -0.34907110 0.65327763 Ni 21.27543342 22.97796637 1.68778306 28 0.01207646 0.08934686 0.45853003 Ni 19.65854083 24.58233728 1.64474691 28 0.43678054 0.82038456 1.16383791 H 22.92011594 22.91568841 0.01134369 1 0.03532979 0.30910689 0.59766310 Ni 24.57371455 24.57751474 0.02209026 28 -1.01294789 -1.00790403 -0.13471582 H 24.59510527 22.87461045 1.65023028 1 0.52180106 0.24256224 -0.49105570 Ni 22.94013791 24.56275520 1.63001363 28 -1.44938327 -0.91748366 -0.31106439 Ni 26.24498844 22.90956304 -0.01669158 28 0.34554959 -0.35456919 1.09020830 H 27.81941026 24.53487971 -0.01425547 1 -0.40356846 0.58388647 0.03634229 H 27.87184589 22.88341327 1.67831314 1 -0.43943558 -0.32857767 0.19274523 Ni 26.20083579 24.55364551 1.66749295 28 2.04834989 0.03973836 0.39650180 H 29.50812301 22.98455887 -0.01024414 1 1.32840907 0.22399754 -0.14407532 Ni 31.10821978 24.54665121 -0.00486588 28 -2.10555527 -1.00289247 2.04786760 H 31.11807374 22.93472297 1.66464799 1 -0.16779420 0.13924140 -0.91107354 H 29.44859414 24.55882082 1.60887260 1 1.26535322 0.84387563 -1.01570086 H -0.02701771 26.20394373 -0.01082453 1 0.63240278 0.27747570 0.25563465 Ni 1.61854750 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0.06899952 1.11172877 Ni 9.80055217 27.81435903 1.64738678 28 0.38887082 0.25342999 -0.44808318 H 13.05964556 26.23013257 -0.00989755 1 0.24446215 0.12370140 0.15966216 H 14.71389010 27.81295227 0.02159917 1 -0.17261223 0.64094246 0.20909467 Ni 14.74177182 26.20276360 1.62010529 28 -1.29294770 0.19171414 -2.53629505 H 13.11626818 27.85867107 1.64262458 1 0.05382847 0.25027333 -0.03089411 H 16.41301306 26.21487720 -0.01734579 1 0.35596952 -0.26575496 0.48230018 Ni 18.04671493 27.86364826 0.00187508 28 -0.98889779 -1.95989680 -0.81774806 H 17.99555778 26.20966028 1.61616379 1 0.39571644 -0.36299772 -0.40659251 Ni 16.40826073 27.86182183 1.63991435 28 -0.95670295 -0.46389295 -0.79417079 Ni 19.64720717 26.22374194 -0.03046021 28 1.14432513 -0.32152260 0.91599172 H 21.29355874 27.83205130 -0.00178238 1 -0.81394456 -0.01050571 -0.13776986 H 21.30336452 26.24219323 1.68113597 1 -0.60280590 -0.28452161 0.38886257 Ni 19.63243930 27.86320382 1.64011765 28 1.43296309 -1.13142895 -0.93771524 H 22.93864221 26.17806892 -0.01117758 1 0.66212069 -0.71357550 0.32470917 H 24.56621495 27.84227270 0.01400437 1 0.76846592 -0.18745252 0.22708534 Ni 24.59025126 26.23570815 1.64840168 28 0.38846234 3.17172235 0.35630162 H 22.96074444 27.86297211 1.65775489 1 0.30302866 0.07641780 0.56972637 Ni 26.21749285 26.20187904 0.00038544 28 1.52047016 1.32179788 0.95568008 H 27.83562917 27.88084512 0.01221203 1 -0.13201415 -0.26025179 0.13615389 H 27.85945491 26.17621544 1.64879693 1 0.18331436 0.02540910 -1.01562259 H 26.18720151 27.84980285 1.62602784 1 0.13396521 0.30537903 -0.56487550 Ni 29.45105444 26.22120486 -0.00786867 28 -1.27604700 0.37232997 2.96923365 H 31.13962858 27.83676945 -0.01533264 1 -0.53009990 -1.34048182 0.58159956 Ni 31.13130579 26.22411204 1.65682082 28 -3.03526417 0.40370007 1.04548265 H 29.52445713 27.85894982 1.61571178 1 0.18906925 -0.71214119 -0.12454390 Ni -0.01097594 29.46497052 -0.00164721 28 -0.06173940 0.91069364 0.44144504 Ni 1.66777696 31.12554013 -0.02668142 28 0.00536573 -1.19039820 0.62525212 Ni 1.67053897 29.47448973 1.64542884 28 1.34939561 -0.25420201 1.22456058 H -0.02905824 31.09479546 1.64415694 1 0.68437401 -1.05884920 -0.41476688 H 3.27028364 29.47281991 0.02850989 1 -0.77112438 0.21987847 0.66855068 H 4.95935737 31.12384327 -0.02152505 1 0.05345177 -0.45568133 0.38672971 H 4.94487574 29.45217756 1.64461885 1 0.42357194 0.34560913 -0.27539643 Ni 3.24826694 31.09771567 1.60072730 28 0.98652604 -1.84385520 0.37829746 Ni 6.48828803 29.45376062 0.01980768 28 0.04014819 0.00076181 1.89687242 Ni 8.18534713 31.14273459 -0.01180271 28 0.19773067 -0.72515141 1.45478362 Ni 8.13163425 29.45553168 1.66768849 28 0.18222857 -0.49088430 0.91936791 H 6.53616089 31.12864748 1.67511706 1 0.27140245 -0.95308066 -0.03470178 Ni 9.83583670 29.47589062 0.03146514 28 0.61217481 -0.27779677 0.79582798 Ni 11.50632108 31.09815625 0.01652641 28 -0.25833141 -1.48769530 2.47419131 H 11.43352870 29.53216938 1.66099942 1 -0.13978226 0.09343000 -1.40038497 H 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28 -0.64558211 0.05416981 -1.40405654 H 22.93729194 8.15794774 4.93329648 1 -0.00546978 -0.17592822 -0.36601342 H 26.19909675 6.57992112 3.32853801 1 -0.08403042 0.04914574 -0.11494163 H 27.87308509 8.18461828 3.26431643 1 -0.40844563 -0.50802964 -0.08588439 Ni 27.81898520 6.54686596 4.88691749 28 0.80250825 -1.04282802 -1.59852140 Ni 26.20078490 8.18494533 4.90372489 28 -1.26594561 -0.35688666 -1.08449187 H 29.46422727 6.56999959 3.24955943 1 -0.61633037 -0.40424239 0.17774823 H 31.09379834 8.19086869 3.30549642 1 0.19160091 -0.02533926 0.62837683 Ni 31.15126654 6.53558193 4.94400195 28 -1.48027933 -0.00151101 -1.87346374 H 29.45601041 8.20020056 4.94364371 1 0.58620020 -0.40725392 0.81469582 Ni -0.02632641 9.80216518 3.27692697 28 2.43697479 0.51878782 0.42851943 H 1.66355703 11.46010797 3.27130414 1 -0.60958978 -0.60359907 -0.46151386 H 1.58845976 9.87518613 4.91449855 1 0.09949976 -0.20077497 -0.18477528 H -0.00843939 11.50111487 4.94284820 1 0.18609624 0.33543713 -0.17457189 Ni 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26.24407371 19.68393255 3.25382094 1 0.04120089 0.09696591 0.19884160 Ni 27.85008639 21.28228303 3.26450042 28 0.58155156 -2.16679775 -1.13018465 H 27.81030458 19.69545612 4.94588523 1 0.23637309 -0.33893402 -0.46705859 Ni 26.19151193 21.30870237 4.90426522 28 -0.17172550 -1.66911191 1.15664326 Ni 29.50816770 19.63981823 3.29520528 28 0.93512961 0.58094844 0.77979368 H 31.09392651 21.30110237 3.31087036 1 -0.57094428 0.31492890 0.25849104 H 31.09456916 19.62768949 4.90408144 1 -0.70899855 -0.41977568 0.46936701 H 29.51304248 21.32300807 4.93390605 1 0.17223994 0.16334524 -0.38065652 H -0.02098965 22.90556544 3.26603964 1 0.28234481 -0.29164424 0.29618294 Ni 1.66128533 24.55240083 3.25403358 28 -0.01396920 -0.00423691 -1.57412514 Ni 1.65399682 22.92950485 4.90700625 28 0.07707464 -0.86737992 -0.72791658 Ni 0.02386738 24.57035469 4.93318442 28 0.77456367 1.00694550 1.12410110 H 3.26008816 22.95147112 3.21878987 1 -0.26680446 0.31854884 0.13761212 Ni 4.90777079 24.62740835 3.27561761 28 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13.08921764 24.50496514 4.90727379 1 0.13414578 0.05029198 -0.23301052 H 16.38591434 22.93510907 3.24461106 1 0.10212134 0.21527202 -0.54945855 H 17.99699306 24.57100224 3.29361742 1 0.08890714 0.04869205 -1.11779177 H 18.01156081 22.92204913 4.91785648 1 -0.04296679 -0.90837820 0.50933963 H 16.38784080 24.57320495 4.94932953 1 -0.43231297 0.18887149 -0.07745913 H 19.64868677 22.95709417 3.27686995 1 0.36575508 -0.26955789 -0.65855907 H 21.26056527 24.55389221 3.27216556 1 -0.12282974 -0.04552036 -0.70059357 Ni 21.30601669 22.92067154 4.91862570 28 -0.90948515 2.53911698 -1.62873970 H 19.62808953 24.55473288 4.91654551 1 0.07170821 0.31695905 0.15128941 H 22.93771181 22.96031562 3.26438873 1 -0.59345473 -0.11884100 -0.46575237 Ni 24.55210643 24.58937459 3.26709362 28 0.13846653 -2.22614052 -0.06290063 H 24.55470888 22.91771689 4.91738306 1 -0.00886349 0.09753550 0.32951608 Ni 22.92589382 24.57918607 4.92624115 28 -1.72436974 -0.13273526 -0.22489057 Ni 26.21925186 22.94574957 3.28949628 28 -0.48855581 0.71797844 -1.03588908 H 27.86945988 24.56754612 3.28981867 1 0.24804624 -0.48322878 0.04659159 Ni 27.83904396 22.90831103 4.88326208 28 1.25845562 -0.32394056 0.88896449 Ni 26.21108626 24.58487382 4.93886930 28 -0.06026741 -0.45245258 -2.19680878 Ni 29.45200881 22.92786572 3.29814365 28 0.69744113 -0.03459841 -2.18041114 H 31.09466729 24.57226088 3.29115961 1 -0.24672895 -0.14714990 -0.24294423 Ni 31.14816690 22.94454860 4.93699846 28 -0.69963809 -0.74963095 0.21835264 Ni 29.46426146 24.58356884 4.92324642 28 1.52626450 0.82640621 -1.48355058 Ni -0.01133168 26.18071910 3.28094699 28 1.61802620 0.34819542 -0.96277204 H 1.62209382 27.82094430 3.27031193 1 -1.34392367 0.41232749 0.02185621 H 1.62965760 26.19306083 4.91900401 1 -0.65341013 0.14735254 -0.38020826 Ni 0.01816560 27.79284817 4.89476285 28 1.65298471 -0.23128388 0.48578814 H 3.27877529 26.21177686 3.24881180 1 0.04808351 -0.58638773 0.63178740 H 4.91998634 27.85324803 3.26206918 1 0.39515182 0.26155730 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27.82899823 4.90906463 28 -0.30467986 1.43036560 0.53223150 Ni 16.35699719 26.18605922 3.27768993 28 2.77334584 -0.84679106 1.25822900 Ni 17.98846783 27.85749569 3.30076639 28 -0.60229962 -0.18796875 2.43139281 H 18.02378026 26.18378420 4.94457130 1 0.42215097 0.43599386 0.22603934 H 16.38832061 27.83345783 4.88423881 1 0.20345728 -0.23694549 -0.17087712 Ni 19.68603899 26.20227904 3.25969696 28 0.02707321 -1.48865865 1.36627753 Ni 21.27111421 27.87343745 3.27178467 28 0.35549050 -0.21283039 0.24951626 H 21.27857226 26.23331888 4.91064038 1 -0.01327737 0.76935008 0.02500818 H 19.61784744 27.88447134 4.96282152 1 0.09945765 -0.33329439 0.39883808 Ni 22.93552838 26.23295261 3.29507062 28 -1.84410793 0.80006293 -1.20774637 H 24.57581166 27.85114947 3.25549032 1 -0.42902452 0.11218904 -0.04869428 Ni 24.59091457 26.19117310 4.90585689 28 0.01874369 1.93840977 -0.12843960 Ni 22.94987460 27.81409116 4.93979955 28 0.67010931 1.04238132 1.73077780 H 26.18675450 26.20405879 3.25751983 1 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8.21749154 8.18274862 1 -0.32132147 0.21195168 -0.08170730 Ni 29.50290812 6.57638615 6.54414190 28 -1.76934275 -0.62486387 0.56113485 Ni 31.14001076 8.13809242 6.52009967 28 0.11121642 0.64809802 0.35883047 Ni 31.10394406 6.55735976 8.18970381 28 -0.98786012 0.24460543 0.85984695 H 29.47350223 8.14237437 8.16177214 1 1.02670635 0.08288294 -0.23932186 H -0.00805173 9.80120877 6.57777041 1 0.48274989 -0.52820212 0.01313097 Ni 1.62355715 11.44172561 6.53803541 28 0.17843171 0.23451693 -1.53250125 Ni 1.62147581 9.84679813 8.21849363 28 0.64049672 -0.63793903 -0.71575496 H -0.01815522 11.47487784 8.20346733 1 0.43875109 -0.00500920 -0.31339689 Ni 3.25931804 9.82608255 6.53615143 28 1.51097722 -0.32908718 -1.12345668 H 4.86369619 11.45468242 6.53362929 1 0.09701849 -0.21598839 -0.63161766 Ni 4.93992434 9.84279245 8.18444215 28 1.18277511 -0.20167068 -1.58580343 H 3.25255897 11.43847395 8.17684569 1 -0.03456976 -0.80909804 -0.14666712 H 6.55275128 9.83318344 6.54049326 1 0.17557246 0.28853257 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8.14890450 1 -0.24122338 -0.10616149 -0.30176080 Ni 19.65915930 16.34829704 6.56169346 28 1.08625408 -0.73780166 1.21256055 Ni 21.27701790 18.03789207 6.53662031 28 -1.54399327 2.36260786 0.49079157 H 21.27911803 16.37551133 8.18370313 1 0.23880285 0.67168535 -0.07775213 H 19.65339862 18.03827651 8.20186600 1 0.27443055 -0.30184458 -0.60418606 Ni 22.88468230 16.36917629 6.54446479 28 0.33771663 -0.67997343 1.08684614 H 24.56101328 18.00707339 6.57724069 1 -0.33394505 -0.26222631 -0.09600386 Ni 24.59329846 16.37919833 8.23448021 28 1.12682746 -0.02970722 -0.26336556 Ni 22.88491432 17.98939682 8.20811841 28 0.04582570 1.09870875 0.40418949 H 26.17603079 16.38413987 6.55940019 1 -0.40226928 -0.16256791 -0.01312046 H 27.84856037 17.99628759 6.57095895 1 0.41042032 0.19414078 -0.40673785 H 27.82794640 16.37803655 8.22100943 1 0.66897401 -0.40590534 0.40976757 H 26.18320652 18.03847652 8.16725477 1 -0.29919932 -0.05316267 0.82862679 Ni 29.49956727 16.34657529 6.55401165 28 -0.57363885 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19.66040884 8.17641377 28 1.04667031 0.43703573 1.20333702 Ni 6.52362104 21.31783843 8.19213550 28 -0.30150989 0.70338412 -0.34380416 Ni 9.80539346 19.65906734 6.57390248 28 1.15495141 0.01569056 0.57179534 H 11.51340331 21.27773066 6.51230819 1 0.36985441 -0.11511506 -0.05679945 H 11.48909732 19.66074497 8.18981638 1 0.39906846 -0.29051007 -0.39567032 H 9.82246514 21.25944359 8.19842809 1 -0.47691217 -0.31821006 0.11084789 Ni 13.10377082 19.63924495 6.57559318 28 -1.71823146 1.11530107 -1.65635890 Ni 14.74433358 21.27930698 6.57009802 28 0.93136869 0.90172071 -0.05712335 Ni 14.71001277 19.66246613 8.16299910 28 3.01868742 0.29615209 1.76741177 Ni 13.11810510 21.23501734 8.18263997 28 -1.91911152 0.56244158 1.94767138 H 16.32391886 19.62318940 6.57230943 1 -0.36484490 -0.13738814 -0.47256997 Ni 18.02114224 21.28907522 6.57101707 28 0.11240831 -2.63900377 0.48397803 H 18.00557255 19.62707694 8.17995579 1 0.04365806 0.09243901 -0.39565070 H 16.32385828 21.32962590 8.16880875 1 0.30089025 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19.64088302 22.94543878 6.55247614 28 0.69428160 0.03303076 -1.06251606 H 21.33225792 24.52614779 6.55045025 1 -0.00727180 -0.34712612 -0.07126095 Ni 21.26887107 22.88212987 8.22560851 28 -0.20586304 0.19885367 -0.01048803 Ni 19.68008445 24.55024798 8.17254229 28 0.70678742 0.23446573 1.42877093 Ni 22.92314321 22.93934390 6.56245436 28 1.45162426 0.01409188 1.64852434 Ni 24.54507116 24.54441725 6.55486806 28 -0.64194251 0.04987501 2.14306928 H 24.57356574 22.93659640 8.18996310 1 0.00151662 0.22361080 0.09825710 H 22.90353655 24.54494957 8.20191588 1 -0.22622458 -0.55895569 0.23243207 Ni 26.19611276 22.96013786 6.53619293 28 -1.28611128 -1.64966329 1.58805297 Ni 27.83498807 24.60566482 6.58370793 28 -0.75422343 -0.12377132 1.52901275 Ni 27.85725578 22.91939234 8.20358765 28 -0.81808214 -0.07640680 0.58572143 H 26.21705414 24.54484000 8.15404542 1 -0.06561955 -0.62206374 -0.13414795 Ni 29.49718060 22.90790364 6.56071245 28 0.56769270 -1.78599846 -1.39303099 H 31.08756356 24.60415791 6.57757844 1 -0.31265539 -0.37316861 0.37962092 Ni 31.13898766 22.92102526 8.19235365 28 -0.24187987 -0.05978612 0.54497744 Ni 29.49635994 24.52209522 8.15777898 28 0.41123656 0.54368407 2.12039755 H -0.02006944 26.19535271 6.55065660 1 0.30846012 0.37630762 -0.06086745 Ni 1.60617199 27.84301652 6.54041921 28 0.40854195 -0.79755110 -0.33818882 Ni 1.65055194 26.16306852 8.19407507 28 1.50573566 0.25977918 -1.96063504 Ni -0.02355325 27.85230757 8.18262094 28 -0.00462108 -0.05938113 -0.56672234 H 3.24481435 26.20021822 6.50747124 1 0.47108039 0.68136356 -0.30984291 Ni 4.93216039 27.82440209 6.55838270 28 1.17572295 0.24050815 1.18700469 Ni 4.92794794 26.21975913 8.21417673 28 0.38311631 -0.85195338 -0.01110090 H 3.27776800 27.85305369 8.16841952 1 0.06091596 0.01046541 -0.26461507 H 6.52160306 26.18952867 6.56759042 1 -0.63497614 -0.34063162 -0.06700756 H 8.18359195 27.85736931 6.57437297 1 -0.10641169 0.45517566 -0.47245108 H 8.22437186 26.23175347 8.18615169 1 0.29484613 -0.63054031 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11.43352478 1 -0.53954495 0.44706364 -0.48369088 Ni 19.61712617 18.01046279 11.45483224 28 -0.24215087 0.61974135 -0.36106204 H 22.95788678 16.40163023 9.82643704 1 0.31490199 0.54024914 -0.35927030 Ni 24.59116218 17.99941501 9.84068641 28 -0.35297815 -1.08542044 -0.65645348 H 24.58921112 16.40553320 11.48548425 1 0.22360763 0.17295720 0.00523534 Ni 22.93307523 18.00041441 11.44055941 28 -1.68943915 -0.91124472 0.56482180 H 26.17293074 16.35232290 9.87383229 1 -0.45449248 -0.28182351 0.00384649 Ni 27.81848941 18.03595094 9.81299660 28 -0.41100676 -0.73306436 -1.24277295 H 27.85878668 16.39357181 11.45089879 1 -0.21607711 0.28514667 -0.36775822 Ni 26.17930433 17.98981244 11.47760999 28 1.16380124 -0.53274656 -0.76431350 Ni 29.50023264 16.37378137 9.81371958 28 -1.08944568 0.37925187 0.75702515 Ni 31.13252418 17.99642037 9.85241507 28 0.51554706 -0.22264318 -0.88654393 H 31.09404063 16.39437406 11.44724052 1 -0.09854954 0.35328797 -0.59417146 Ni 29.45680940 18.04203014 11.48012934 28 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11.46076544 21.31247291 9.86022987 1 -0.08647424 0.48627153 0.17561412 H 11.44647964 19.63297586 11.46764100 1 -0.41879668 -0.25074130 -0.11592728 Ni 9.83831489 21.26880498 11.47379929 28 0.39948651 -1.65922934 0.62087499 H 13.13172385 19.65338853 9.85679700 1 0.41223086 -0.51370305 -0.54858440 H 14.77509277 21.28612213 9.87742046 1 -0.04896415 0.37716801 0.00596398 H 14.73315799 19.64380450 11.43614391 1 0.23268818 -0.52067479 -0.07294967 H 13.12926040 21.32339579 11.46596407 1 -0.17508149 0.69200431 0.11041692 H 16.37944479 19.65219346 9.83173474 1 -0.03044579 -0.00445095 0.41848820 Ni 18.03319903 21.27327805 9.79903524 28 1.61554201 -2.03250634 -0.69985290 H 18.01019457 19.61360383 11.43436252 1 0.15282584 -0.17979892 0.06093354 Ni 16.37660666 21.30188537 11.44076032 28 0.15682250 -2.40501267 1.05859680 H 19.68160690 19.65930560 9.83552329 1 0.43696858 -0.15589800 0.41929190 Ni 21.31486792 21.28725451 9.83269767 28 -1.81139715 -1.88922162 0.42687526 H 21.32401091 19.68930076 11.40634596 1 -0.06596053 -0.10161243 -0.15259636 H 19.66561516 21.28804331 11.48327754 1 0.08295553 -0.17062212 0.10863408 H 22.95410148 19.66715971 9.82280831 1 -0.24725091 -0.65078181 0.55984117 H 24.61118211 21.29545263 9.79555212 1 0.16944731 0.31240450 0.80407481 Ni 24.52168362 19.63978430 11.48999141 28 0.16208409 2.69378531 0.48458593 Ni 22.93883731 21.31048188 11.43738132 28 -0.29317172 -1.79726189 0.51861695 Ni 26.17281636 19.68059645 9.81493907 28 0.00940658 1.68590640 -0.83304358 Ni 27.79331882 21.30982246 9.85501015 28 0.44738048 -0.41578322 1.99137798 H 27.80659423 19.65462587 11.45680612 1 0.07038604 -0.14305251 -0.41124332 H 26.18680516 21.25584715 11.45921795 1 0.11039854 0.10649411 -0.61693944 Ni 29.51708250 19.66234467 9.81195096 28 -0.43498906 0.56433869 -0.67949419 H 31.11351599 21.31871135 9.83327105 1 -0.32900099 -0.12142698 -0.41861605 Ni 31.09120104 19.62429809 11.48698673 28 0.84555766 1.89821033 -0.71215304 H 29.44659037 21.27356009 11.44758534 1 0.02204923 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11.47861067 24.56470427 9.84910643 28 0.69115187 -0.49132193 0.99844308 Ni 11.41569012 22.89836212 11.51940567 28 0.22250861 1.31113541 0.06218666 H 9.78628314 24.53151857 11.44384886 1 0.09344999 -0.16474836 -0.17022339 Ni 13.12650027 22.93564524 9.83081631 28 0.64360881 0.14808424 -0.86069084 H 14.74274949 24.58588907 9.79362636 1 -0.10254102 -0.30328694 0.15359729 Ni 14.74986303 22.89023743 11.46869469 28 -1.08659841 0.03299837 -0.50752794 H 13.10634170 24.57482554 11.40714248 1 -0.15296930 -0.53034364 -0.47112269 Ni 16.38455106 22.94965989 9.81566005 28 -1.54163960 -0.18211973 -1.55434001 H 18.02820344 24.51552901 9.83709047 1 0.51654711 -0.19598578 0.53776878 Ni 18.02137093 22.92707568 11.43519402 28 1.68095207 -0.61976335 0.79993330 Ni 16.34761748 24.54266117 11.49556294 28 1.44194748 0.57913004 -2.08920770 H 19.63883408 22.97052814 9.84810290 1 0.13742072 0.16184839 0.40633777 Ni 21.31877359 24.56516090 9.83443411 28 0.61350605 0.46058592 -0.03254006 H 21.27425552 22.88293813 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11.45197107 27.82947722 9.79986632 28 0.75478144 0.60129642 1.85939731 H 11.49399653 26.24439699 11.43910420 1 -0.49525998 0.23253460 0.15448835 Ni 9.79513174 27.87834285 11.47535540 28 0.60790109 0.18773922 2.06768029 Ni 13.07361103 26.17627269 9.82370634 28 0.43631987 -1.72402951 2.12462472 Ni 14.78779671 27.82858064 9.80797360 28 -0.30734808 2.79524222 0.84466585 Ni 14.74103247 26.23483483 11.44556125 28 -1.65814154 -1.14999924 -0.87512520 H 13.11979446 27.88912135 11.43740899 1 0.01078606 0.19001363 0.36436410 H 16.36621177 26.17429676 9.80739280 1 0.08774743 0.74518039 0.00227752 Ni 17.98769692 27.84729134 9.79193199 28 0.62150186 0.76138290 0.06571181 H 18.04227603 26.21571754 11.43417505 1 0.37529916 -0.20689044 -0.13871236 Ni 16.35836400 27.86450081 11.45280997 28 1.20455749 0.94792883 0.27006630 Ni 19.62577876 26.22275655 9.80361870 28 0.59523390 1.10675964 0.66951774 H 21.33313323 27.84031685 9.81410836 1 0.16739556 0.25427383 -0.87173229 H 21.33582958 26.21842719 11.45690482 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11.49201683 31.12122402 9.79475065 28 2.28191995 0.56193720 0.47121156 Ni 11.48797315 29.52587574 11.49034519 28 1.56571826 -0.54570259 -0.53219849 Ni 9.84675535 31.08076511 11.49199618 28 -1.67808450 0.45691689 0.38319078 H 13.11512349 29.46785185 9.83655722 1 0.08602713 0.75684038 -0.25112007 Ni 14.74319572 31.11209976 9.85719865 28 -0.63028815 -3.86006757 0.79455153 H 14.74308389 29.50711516 11.45208219 1 0.16325925 0.80476306 0.05542052 H 13.13182500 31.12434989 11.46161268 1 0.43138985 -0.08576063 0.07100703 H 16.38516755 29.49724746 9.80059233 1 -0.08663533 0.35282286 -0.11435294 H 18.01809226 31.12113598 9.83243630 1 -0.45739414 -0.22811694 -0.19410621 Ni 18.01346679 29.44956849 11.48034612 28 -0.11421057 0.96357672 0.35360226 H 16.36823798 31.10751594 11.40288652 1 -0.80103996 -0.17928477 -0.27686149 H 19.65912636 29.45846973 9.82500363 1 0.29549297 0.32891957 -0.03323084 Ni 21.27540312 31.11666286 9.80733150 28 -0.43553245 -2.40436336 1.53992040 H 21.28794245 29.51279933 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13.08096375 1 -0.18045143 -0.30257199 0.08690987 Ni 11.48689456 3.28465334 14.72571863 28 1.13861596 0.40938505 0.58816020 H 9.83712374 4.89547802 14.71036990 1 0.65130927 -0.27671403 0.58718855 H 13.10396112 3.27971142 13.10085026 1 0.23012647 -0.38225979 0.46136951 Ni 14.76160375 4.90136683 13.11175180 28 0.57799512 -1.53790583 -0.99491398 Ni 14.74575800 3.26942251 14.73045344 28 -0.82867300 -0.01044524 1.02591862 H 13.15904670 4.90955295 14.75821873 1 0.00193307 0.03160484 -0.08759613 H 16.39629345 3.28206473 13.06346429 1 -0.42554802 0.30842821 0.27166847 Ni 18.03900336 4.92415400 13.09072642 28 -1.13140557 -0.84625710 1.58887212 H 18.03301503 3.29280383 14.73372740 1 -0.37838139 0.66104665 0.06285996 Ni 16.37185386 4.95432191 14.72828828 28 0.89545572 -0.08229307 0.94143979 H 19.66659422 3.26451139 13.12714109 1 -0.28588396 -0.05259740 -0.36906775 H 21.27252536 4.88753486 13.13564470 1 -0.03598427 0.71275006 -0.12045882 H 21.29790626 3.31394201 14.76621660 1 0.03641758 -0.02148103 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13.13535182 1 0.30556474 0.17476795 -0.39605063 H 1.68319459 8.22469657 13.11203302 1 -0.36212452 0.21069807 -0.08813801 H 1.66862013 6.51763464 14.72044043 1 0.40069767 -0.31940680 -0.01663234 Ni 0.00448410 8.21634136 14.75742759 28 2.89267937 -1.04005212 0.00791866 Ni 3.28345194 6.54315998 13.09827330 28 0.87115682 2.51708232 -0.34393083 H 4.87515775 8.15131003 13.08496558 1 0.14404932 0.31535850 0.18767649 H 4.94238992 6.56275517 14.71699572 1 0.14222135 -0.49125531 -0.37041464 H 3.29146177 8.17957317 14.75126986 1 0.22518155 0.02298331 -0.14355837 Ni 6.51964058 6.52647096 13.09584404 28 -0.90029162 0.36145094 0.55954023 Ni 8.17109927 8.16773043 13.05372412 28 3.33110791 0.32400279 0.48147515 H 8.22019766 6.56849034 14.72516822 1 -0.71873685 0.01165361 0.43340384 Ni 6.55685313 8.18366952 14.71066592 28 -1.33260974 -1.92821801 1.70115562 H 9.79915557 6.55610634 13.12989844 1 0.08435817 0.23516685 -0.19559864 Ni 11.44755953 8.21582125 13.11959698 28 -2.16067791 0.58333012 -1.78521378 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21.28734866 31.12011396 16.37584631 28 1.11629972 -1.09158184 -0.20779739 H 21.32782149 29.46039513 18.01229918 1 -0.27829325 0.44610069 0.56320587 Ni 19.67917377 31.10360727 18.01831756 28 -0.05576637 -0.45154009 0.37548014 H 22.87052404 29.49962914 16.38542514 1 0.00036480 1.22935090 -0.34269077 Ni 24.58232971 31.13416373 16.36379127 28 -0.27100578 -1.46307871 0.75894833 H 24.55171503 29.46882146 17.99363038 1 -0.45638731 0.79375843 -0.31696607 Ni 22.93557959 31.14011706 18.02546468 28 -0.32337762 -1.99722229 0.31678678 Ni 26.19766329 29.46123074 16.37716375 28 -1.72899234 0.12476551 1.39723510 H 27.85979358 31.13050580 16.39479120 1 -0.53726248 -0.69527038 -0.03785493 Ni 27.86616734 29.50217987 18.03736670 28 0.85344211 -0.51617194 0.60001958 H 26.20099300 31.12074819 18.02863081 1 0.36435072 -0.47195849 -0.25438645 H 29.52065379 29.50422673 16.36060149 1 0.37625959 -0.16558350 0.25477547 Ni 31.13946964 31.10181716 16.34080976 28 -2.38605249 -2.56827703 0.09216477 H 31.10379069 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19.67607589 13.10178515 22.95267873 1 -0.20602181 0.53954415 0.51617333 Ni 21.27103025 14.72703760 22.96050182 28 -3.17259729 1.25300894 0.40202390 Ni 21.27676534 13.08729919 24.54072074 28 -3.20712514 -0.84265019 1.11249623 H 19.64723356 14.72166135 24.53599865 1 -0.80691928 -0.57573917 -0.15803390 Ni 22.92737934 13.11628555 22.95785334 28 -0.94218797 -1.71067491 -1.13662291 Ni 24.58796598 14.71498967 22.89867219 28 0.41880616 1.50068572 0.50596515 Ni 24.54274474 13.07950244 24.54956962 28 2.62218683 -0.03387510 2.20811871 Ni 22.91642523 14.73660733 24.58720400 28 -1.74146557 0.43691162 0.46162681 Ni 26.17889806 13.12022149 22.90416546 28 1.39150698 -1.73079469 0.72273788 Ni 27.81561254 14.75464024 22.94435072 28 0.91969249 -0.10978942 0.88151707 Ni 27.82143234 13.09820183 24.53669740 28 -1.58581371 -1.04113146 -0.58101333 H 26.24544087 14.79341793 24.57781921 1 -0.10716724 -0.02034319 0.08136072 H 29.44154604 13.12645382 22.90721603 1 0.15766855 -0.18705360 -0.40247379 H 31.12721811 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1 -0.03688275 0.23466701 0.30664502 Ni 6.52164312 18.00349371 24.56900064 28 0.04261657 0.05745270 0.07212769 Ni 9.81810405 16.40370333 22.92929224 28 -1.05523520 -1.71163430 1.66187171 Ni 11.47582764 17.99608766 22.94842533 28 3.24717846 -0.59842262 1.03121214 H 11.45234217 16.37313047 24.55775042 1 -0.45540362 -0.56569694 -0.15870446 Ni 9.84965757 18.03102935 24.57013639 28 -0.45948206 -0.71605747 2.50440103 H 13.09599963 16.39540096 22.95612168 1 -0.02586826 -0.22541266 0.27333796 H 14.73979155 18.04198077 22.94048715 1 0.07315160 -0.48417429 0.36314899 Ni 14.71249638 16.39251783 24.54655433 28 -0.67535287 0.19244880 -0.95055183 H 13.09628051 18.01149668 24.54075677 1 0.33202305 -0.07393910 0.30565467 H 16.39385781 16.40467113 22.92883582 1 -0.02803716 -1.20276674 0.23848082 H 18.05905134 18.01776302 22.94583194 1 0.22043709 0.21563002 0.44930066 H 17.99004010 16.34831035 24.53337591 1 -0.10730612 -0.84740815 0.07396068 H 16.38397936 18.02145696 24.56700274 1 -0.20804607 -0.04914939 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24.60081505 28 -1.67025735 0.30677509 -0.14211176 Ni 19.67882419 26.17787065 22.94442242 28 0.83273288 -1.54720715 -0.67336040 Ni 21.30779879 27.86338362 22.95597261 28 -0.21863627 -0.18198994 -1.76051447 H 21.29294007 26.20246115 24.53913113 1 -0.23903896 0.51157180 -0.33579510 Ni 19.62582935 27.81167643 24.58777371 28 1.39098369 0.60466092 -1.12194427 H 22.94785227 26.19822897 22.94716303 1 0.44806451 0.79193436 -0.14413614 Ni 24.59326416 27.86421910 22.90605365 28 -0.07701299 0.41326000 -0.51097570 Ni 24.54541317 26.23756448 24.56831593 28 -0.49528684 -1.14502686 0.41417796 Ni 22.89985853 27.87527129 24.59274607 28 0.36022527 -1.13408895 0.48217868 Ni 26.22645923 26.17219656 22.90593952 28 0.50102517 -0.43621357 0.35522125 H 27.86730501 27.84042588 22.90708777 1 0.18450198 -0.15263874 -0.28575695 H 27.79734000 26.19827345 24.57618333 1 -0.30126795 0.13769838 0.52385458 H 26.18522887 27.82777935 24.61028085 1 -0.19609515 -0.66915415 -0.17698732 Ni 29.48083537 26.23259041 22.94050932 28 -1.05502779 -1.47274156 0.19271450 Ni 31.14040167 27.85175506 22.94609455 28 0.03741301 1.19212647 -0.39260902 Ni 31.08732441 26.23348178 24.58519067 28 -0.57528368 -0.76567924 1.21451689 Ni 29.47185964 27.83219857 24.52377278 28 -0.56196174 0.30799060 -0.18249464 Ni -0.02725015 29.45643793 22.90052143 28 2.16157369 -0.98164155 -1.08109461 Ni 1.62707275 31.12457942 22.96111962 28 0.09455035 -1.16713720 0.30571282 H 1.64964217 29.50534318 24.59673508 1 -0.73107704 0.69177403 -0.68116670 Ni -0.00570133 31.10144202 24.54203122 28 1.73598428 -2.10604814 1.51596386 Ni 3.27239018 29.46979651 22.92231879 28 -1.42056110 -0.86130105 1.67647560 H 4.92331566 31.11133706 22.95481028 1 0.19520584 -0.54306026 0.09263830 Ni 4.90426702 29.50671772 24.55365866 28 -0.17788008 -0.27118101 -1.44039111 H 3.25843839 31.15057227 24.58053652 1 -0.22497986 -0.67120916 -0.44768346 H 6.53735663 29.48423537 22.91488450 1 0.09941992 1.36800276 0.34285686 Ni 8.18123681 31.09578946 22.93410971 28 1.16982731 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26.20251959 28 0.51458752 0.74231268 0.46192512 H 31.10836946 8.21290604 26.23018500 1 -0.34578839 0.47285723 0.24657654 H 31.09066676 6.58003812 27.79143178 1 -0.62830759 -0.59254816 -0.12931472 Ni 29.50910566 8.19456797 27.82950364 28 1.33702738 -0.74099686 1.02926787 H 0.03139534 9.83080663 26.21979663 1 0.59567075 0.30271993 0.14584601 Ni 1.66472736 11.44182760 26.21621314 28 -0.68405037 0.89328168 0.45394323 Ni 1.61098468 9.82222562 27.82250290 28 -1.80758511 0.44735946 -0.37110418 H 0.02100376 11.44549472 27.85262488 1 0.41631482 0.19565090 -0.62278114 Ni 3.28588485 9.84874149 26.18734998 28 0.68914356 0.76734131 0.03596547 Ni 4.91665964 11.43689382 26.17357414 28 0.96131980 -0.80009592 -0.38155625 H 4.89068715 9.79092368 27.81069262 1 -0.44484974 0.02177959 0.06414483 H 3.23929437 11.46959950 27.81674416 1 -0.06483047 -0.29896540 -0.61722113 H 6.54589522 9.85560022 26.20642293 1 0.44645137 -0.12493836 -0.04146649 Ni 8.18026796 11.43780461 26.18862691 28 -0.97877454 -1.55007129 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28 0.95679929 -1.08626304 0.70700625 Ni 31.14765334 11.48746606 26.17505559 28 0.77835455 0.77283487 0.78480663 Ni 31.13718441 9.86204124 27.84474669 28 -0.90519361 -0.16282371 0.39347354 H 29.47127631 11.48550432 27.84341970 1 0.61653691 -0.01186478 0.36961263 Ni -0.01842420 13.12213958 26.22631863 28 0.54357299 -0.64621612 -0.08578285 Ni 1.63430453 14.71346727 26.23332869 28 0.16831725 1.63363075 -0.09829682 H 1.61245199 13.07821251 27.82849996 1 -0.73422565 0.74124986 -1.34778054 Ni 0.02773385 14.76536725 27.82970202 28 2.81178449 0.81366505 1.16968676 Ni 3.26457542 13.11128067 26.17682735 28 1.83046039 0.70972816 0.42729012 H 4.89755423 14.69041304 26.20016513 1 0.00111964 0.09697001 -0.10609488 H 4.85548537 13.11356345 27.85118556 1 0.22193865 -0.58026190 -0.28718362 H 3.26635604 14.71042362 27.81556147 1 -0.29372681 0.51394638 -0.59313623 Ni 6.53915009 13.11356702 26.21456539 28 -1.62110869 0.77659047 0.95113439 H 8.18364102 14.76146536 26.20759569 1 -0.23502681 -0.65742662 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27.82200017 28 1.03856093 0.98875433 0.23969138 H 16.40930094 21.29169807 27.83276808 1 -0.22070578 0.00114178 -0.40591927 H 19.62805439 19.65028752 26.23675245 1 -0.38521201 -0.08309962 -0.62446393 Ni 21.31391616 21.26123932 26.21434617 28 -0.74879222 0.42557772 -0.13692718 Ni 21.26139453 19.62723235 27.87019921 28 -1.73164148 -1.03728879 0.82040296 H 19.64120758 21.25492981 27.84452800 1 -0.12630812 0.20154648 -0.09665123 Ni 22.91964881 19.62948478 26.18410262 28 2.81268771 0.69068409 -1.85858984 H 24.59133420 21.30569612 26.22569093 1 0.87375516 0.39931031 -0.56755109 H 24.55939678 19.65482135 27.79070342 1 0.30611966 -0.59148290 -0.25443789 Ni 22.93896199 21.27241112 27.82360906 28 3.18328490 0.09248034 0.45311464 Ni 26.18310316 19.67357362 26.23275775 28 0.11219919 2.84921152 0.60072808 H 27.83337611 21.27886367 26.19845758 1 -0.73640285 0.41585403 0.22910621 H 27.83266137 19.65900943 27.86663104 1 -0.16076511 -0.63079078 -0.09207572 H 26.18677956 21.30532203 27.88885796 1 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26.18383185 1 -0.05890772 0.04099406 -0.23329620 Ni 8.22782404 27.82464831 26.21683067 28 -0.02710342 0.35166343 -1.69051153 Ni 8.16556574 26.23393174 27.86648191 28 -0.51397327 -2.76098148 -0.08400315 Ni 6.54839147 27.85480595 27.80471082 28 -0.48543620 -0.27233259 0.07633458 H 9.79396523 26.23758041 26.17405598 1 -0.37087291 0.39982731 0.44969618 H 11.48418083 27.88889343 26.24739034 1 0.14668344 0.18028223 0.26917579 Ni 11.50430825 26.18074705 27.81253158 28 -0.47785108 -0.73311250 -0.17261030 Ni 9.82163760 27.81571910 27.87715748 28 1.69697399 1.84847487 0.03895872 Ni 13.07157566 26.19220531 26.17671085 28 -1.53207919 -1.21245696 -1.47566808 Ni 14.72184348 27.86133732 26.17432542 28 0.90881465 0.66861587 -0.99252184 Ni 14.71140114 26.19746575 27.83246629 28 -0.67600404 -0.00319510 0.89716690 Ni 13.12385085 27.83231204 27.87253099 28 -1.66570692 1.22108454 1.46866457 H 16.40526304 26.18846137 26.20695431 1 -0.20018777 0.05328269 -0.04587809 Ni 17.99702539 27.85023002 26.20860697 28 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29.45469939 1 -0.39755350 0.01820508 0.62576690 H 8.18940645 11.47095419 29.44855088 1 0.05969910 0.47131684 0.11646759 H 8.19696177 9.82053495 31.12583022 1 -0.02353757 -0.35535245 -0.18418320 Ni 6.54210919 11.49487706 31.09001895 28 1.52094030 -1.67899072 -0.13911860 Ni 9.81223377 9.80795001 29.48116659 28 -0.59439063 1.44165767 -0.99751944 H 11.42572662 11.42278517 29.48158375 1 -0.22084692 -0.10356946 0.48814069 Ni 11.51365279 9.84021115 31.13154106 28 -0.19156341 0.37865013 0.15942549 H 9.87297566 11.47978464 31.13186414 1 -0.01990488 0.05220522 -0.48546809 Ni 13.09769016 9.79437989 29.45580146 28 -0.38033577 0.50925924 -0.27289902 Ni 14.75437065 11.48512760 29.48143981 28 -0.22988320 2.20033374 0.99485437 Ni 14.71700350 9.80255819 31.09554902 28 -0.31394349 -1.03437230 0.53786374 Ni 13.08767355 11.49753377 31.09279998 28 -0.62791049 1.97080376 -0.92620524 Ni 16.35600687 9.84004982 29.47444698 28 0.26638300 -0.77758241 0.25969103 Ni 17.97470897 11.45692921 29.49964736 28 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29.48079346 28 1.36637429 -0.76677412 -1.02569741 H 18.00297274 24.59697736 29.49623736 1 -0.06441960 0.07761282 0.60403964 Ni 18.02391530 22.90720538 31.09584381 28 -0.06413730 0.51039606 0.42003377 Ni 16.38956678 24.57942710 31.14776695 28 1.23677049 -0.16488704 1.04634632 Ni 19.64671646 22.96685046 29.46016466 28 -1.58832423 0.08523213 -1.32242085 Ni 21.34490216 24.59298211 29.50379190 28 -0.56639550 0.61076110 -0.86635815 Ni 21.28841242 22.91335448 31.09787036 28 -0.02990698 0.03788596 2.72539971 Ni 19.64067854 24.56109427 31.11947046 28 0.03026423 0.54191478 1.09832525 Ni 22.95839980 22.93131532 29.50664461 28 2.03808977 0.50808543 -2.10849277 H 24.57003031 24.59251785 29.50276292 1 -0.07416570 -0.72273489 0.68655381 Ni 24.54742123 22.91549467 31.11205783 28 1.64201478 -0.10819211 -0.63471295 Ni 22.94176707 24.53701236 31.11071576 28 0.80497593 1.64887289 0.78739777 Ni 26.22949609 22.96398133 29.45359966 28 -0.55554405 0.29677680 -0.46313909 H 27.81453674 24.53963777 29.44394090 1 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Ni 16.40490066 26.22293206 29.49286131 28 -0.32416190 0.11259879 1.01627715 Ni 18.03947255 27.86218120 29.45525968 28 1.17281245 1.88073005 1.36735704 Ni 18.06335272 26.21684220 31.10036441 28 -0.55892705 0.62982512 0.86135386 H 16.36981979 27.84532872 31.11967044 1 0.54032297 -0.12512177 0.08386325 Ni 19.60724571 26.16525428 29.48878528 28 0.47036644 -0.40739731 -0.67366088 Ni 21.29159964 27.81456535 29.45834577 28 -1.73410398 2.14940081 1.25822440 H 21.28062626 26.17632877 31.10378225 1 0.23363376 -0.28051578 -0.54634856 H 19.63901363 27.81036182 31.11702802 1 -0.69546058 0.21454490 -0.29986706 Ni 22.92715775 26.21410229 29.46116930 28 1.71161110 -0.77321841 0.81877878 Ni 24.56236200 27.85385926 29.46448658 28 1.29930992 -0.23901848 0.28624897 H 24.56235622 26.17779946 31.10579729 1 -0.49019904 -0.04136341 -0.40504656 H 22.93328299 27.84904574 31.13958998 1 0.07804378 0.20241059 -0.98647766 H 26.22575472 26.23816245 29.48227824 1 0.43709063 0.48067502 0.41763905 Ni 27.86371572 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31.12922444 1 -0.17452801 0.83672050 -0.68638144 Ni 3.28164905 31.12230844 31.09014192 28 0.08620630 -1.03561526 0.59421270 Ni 6.58303474 29.45518813 29.51181443 28 -0.18302527 0.47075855 -0.30020899 Ni 8.19946702 31.14746220 29.49357421 28 1.16339877 -2.45161064 -1.12029709 H 8.18997979 29.48941602 31.14947920 1 -0.24513648 0.38303169 -0.83752129 Ni 6.55190254 31.11001252 31.07838726 28 -0.24439821 -1.06310225 0.21488478 H 9.82661210 29.46862788 29.48560022 1 -0.12774570 -0.28870048 0.71660239 H 11.47013919 31.09827609 29.45562470 1 -0.01612777 -0.59058873 0.64123333 Ni 11.49058330 29.47794560 31.12974364 28 0.49639640 -0.30382716 -3.37905242 H 9.79647794 31.13338475 31.10553983 1 -0.08028362 -0.49072707 -0.49408458 H 13.10678412 29.45149602 29.51739880 1 -0.40486501 -0.19443675 0.16279581 H 14.76922108 31.14430242 29.47532556 1 0.34583795 -0.27500627 -0.63494064 H 14.78977164 29.51195456 31.08188234 1 -0.01466228 0.10262967 -0.01819374 H 13.08028148 31.12648382 31.12919298 1 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