1372 Lattice="22.765140825175266 0.0 0.0 0.0 22.765140825175266 0.0 0.0 0.0 22.765140825175266" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-3421.3696104689725 pbc="F F F" Ni 0.03151042 0.02832622 -0.01079765 28 1.98237725 1.12815377 1.06062841 H 1.65645992 1.64595900 -0.02091056 1 -0.43094128 -1.17140304 0.44967180 H 1.67033888 -0.01760554 1.63894613 1 -0.27675896 0.17671602 -1.41961127 Ni 0.00712875 1.63848679 1.64120359 28 1.42932873 -0.70557517 0.06566002 Ni 3.23198031 -0.02672318 0.01389971 28 -0.81545477 2.65679292 1.99284658 H 4.87793534 1.61338878 0.01428298 1 0.04450410 -1.22465493 0.67383429 Ni 4.88763380 0.02648843 1.60569635 28 -0.77855914 1.73522324 1.56281858 H 3.29158493 1.63821491 1.60419254 1 0.39137028 -0.54984980 -0.66796666 Ni 6.51843115 -0.00108583 0.00042745 28 -0.95311957 0.17552935 -0.66017683 Ni 8.14968918 1.65464820 -0.02409547 28 1.22910691 0.96374985 0.11544055 Ni 8.13621434 -0.01636113 1.60220606 28 0.80975555 0.55180011 1.00746743 Ni 6.53341260 1.62388769 1.63931234 28 -0.76044338 -0.25808171 0.84373323 H 9.73778653 -0.01332679 0.00309675 1 -0.12638019 0.26892867 0.89008152 H 11.38244116 1.65734787 -0.00069398 1 0.55958973 -1.15357031 0.38993575 Ni 11.35194790 0.00707013 1.63953188 28 0.31577339 2.99600105 0.10727803 H 9.75609279 1.60170666 1.62321759 1 -0.37705727 -1.14937305 -0.08923971 Ni 13.02081606 0.02606327 0.02761087 28 -0.03944741 2.54485609 1.55812235 H 14.62520131 1.63764316 -0.02214163 1 -0.31885173 -0.64729906 0.49916233 Ni 14.60471418 0.02646315 1.67369928 28 0.46055521 1.99130788 0.21538172 H 13.02487648 1.65355108 1.63718259 1 0.49410578 -1.40023387 -0.17859724 H 16.29217817 -0.00579369 0.01705594 1 0.44499638 0.29619734 0.81241922 Ni 17.89015742 1.64068887 -0.01181062 28 -0.35894953 -0.60748726 0.62567965 Ni 17.88416088 0.02980942 1.61105719 28 -0.52271769 2.20060610 1.96409155 H 16.20558034 1.65541324 1.66705378 1 0.01483655 0.17384229 0.02960324 Ni 19.51523473 -0.03181382 0.02352670 28 0.55029662 1.51623101 0.70040715 H 21.16126869 1.59574470 0.01341443 1 -0.94117939 -0.66509263 0.63916886 Ni 21.10827615 -0.00455814 1.64570836 28 -2.28861256 1.83653489 0.26995006 H 19.51150748 1.65424082 1.65518452 1 0.08414086 -0.75945392 -0.70388577 H -0.01275775 3.25345474 0.02195448 1 0.08029446 -0.25635769 0.90692419 H 1.67024430 4.87585539 -0.00941532 1 -0.02157411 -0.11808930 0.59102554 Ni 1.63854665 3.25449556 1.64651203 28 0.68031095 -2.04226242 -2.24386463 Ni 0.00003359 4.84931974 1.64352036 28 0.25420110 1.09096125 -1.67853048 H 3.23195885 3.27225328 -0.01504888 1 0.45009972 0.49856065 0.53329925 Ni 4.90488679 4.84105146 0.05557575 28 1.39544157 0.12719230 -0.16725151 Ni 4.84910924 3.24524780 1.64290926 28 0.45332869 -1.10276518 -0.50117803 Ni 3.22861424 4.87534703 1.62497373 28 -0.68552439 2.33734827 -0.53765407 H 6.51778391 3.26726379 -0.02247181 1 0.67179309 0.44403811 0.51408703 Ni 8.16955960 4.88378950 -0.02050562 28 -0.15395470 0.48997830 3.04425509 Ni 8.10911367 3.26965804 1.61636069 28 1.58401851 0.06080725 -0.33778345 H 6.54359917 4.85237753 1.65735993 1 0.23607796 -0.11838540 -0.49517012 H 9.78504715 3.24845723 0.02864878 1 -0.84303160 0.74748448 0.05599269 Ni 11.40576105 4.89420827 -0.01785646 28 -0.81607505 -0.61782810 1.79761031 H 11.38886044 3.26240209 1.60901662 1 0.25846211 0.85075120 -0.16011979 H 9.81754394 4.89257695 1.63799758 1 0.12335254 0.18306532 -0.64538291 H 12.99188510 3.22169317 0.03327474 1 0.03123662 0.88192662 0.12164719 Ni 14.66475126 4.85131670 -0.01158566 28 -0.58399685 1.66412533 0.41303995 Ni 14.63228535 3.26290352 1.59588947 28 0.43114340 -2.12602563 -1.14713540 Ni 13.05488144 4.89374063 1.61285331 28 -0.45465939 1.64590625 -0.70111394 Ni 16.28465689 3.29139797 0.00353634 28 0.56592049 0.18918236 0.60847094 H 17.85707240 4.84716401 0.00280407 1 -0.25382387 -0.58968954 0.50917003 Ni 17.86790302 3.28910256 1.61214298 28 0.85984795 -0.11313418 0.62194545 H 16.30474736 4.86945820 1.61713668 1 0.39764072 -0.40958304 -0.31141719 Ni 19.50535513 3.27639311 -0.01493021 28 0.74189029 0.58265510 2.50578519 H 21.16390246 4.83006313 -0.00799440 1 -0.52292122 0.02181371 0.44491899 H 21.16869630 3.22548329 1.61768032 1 -0.40653528 -0.20704359 0.47498818 H 19.54876077 4.86677729 1.61765099 1 0.00442375 0.04915551 0.16660180 H -0.00450700 6.49420458 -0.02503104 1 0.35580962 0.64314939 0.64507759 Ni 1.63748882 8.12621438 0.01301241 28 0.84359319 -0.49490258 2.48331460 H 1.59575854 6.48976580 1.57110532 1 -0.78755164 0.64429625 -0.03989602 Ni 0.02461223 8.12096708 1.62340691 28 1.26714499 0.64198342 -0.44701360 H 3.25310321 6.48264925 -0.02780588 1 0.79785665 0.54141409 0.37661395 Ni 4.91018004 8.09411515 -0.02357518 28 0.44670461 -0.00962665 2.65883808 Ni 4.90323767 6.47361776 1.62046749 28 -0.10443539 0.81867347 1.08053090 H 3.23947458 8.16447415 1.59929048 1 -0.05904885 0.28474664 -1.21431496 H 6.52418987 6.52107443 0.00968334 1 -0.80267729 -0.38782835 0.12996819 H 8.14870646 8.14651783 0.01409507 1 0.57526952 0.98564400 0.17088234 H 8.14035894 6.52677426 1.56650325 1 -0.14751239 -0.59999616 -0.02694847 H 6.48034429 8.15894950 1.58470137 1 -0.30887164 -0.09900761 -0.16738066 H 9.77583360 6.51976911 0.01516698 1 0.29512958 -1.08743861 0.16444343 H 11.36214994 8.16190886 -0.00534168 1 -0.20105696 0.24823713 0.58314414 Ni 11.39113970 6.50577320 1.65412089 28 -1.41756341 1.19790848 0.33070380 H 9.70333649 8.11411873 1.60590571 1 -0.22651015 0.65609501 -0.34079296 H 13.06822368 6.50221725 0.02489605 1 -0.01825012 -0.12271238 0.75892516 Ni 14.64754298 8.14675465 0.02633286 28 -0.60538399 -0.57668228 2.08652550 H 14.63377087 6.51479948 1.62614493 1 -0.18126789 0.62357362 -0.56051770 Ni 12.99604602 8.13367325 1.61198520 28 -0.28246375 0.34280571 0.37049253 Ni 16.29043168 6.52916078 -0.01089485 28 0.44390944 -0.13849527 1.92849834 H 17.85893700 8.12332415 -0.00892529 1 -0.54599928 -0.03058726 0.25936957 Ni 17.90588756 6.55222813 1.63610908 28 0.71792365 -0.19909450 -0.67422933 H 16.24501382 8.15807971 1.68284839 1 -0.16798431 -0.02196508 -0.15911772 H 19.51568999 6.48642820 0.00007136 1 0.62208364 0.47925554 0.78935048 Ni 21.14573767 8.15654072 -0.02456989 28 -1.32958288 -0.63318461 1.06711230 Ni 21.14628321 6.52277009 1.61512022 28 -3.22612898 0.31489153 0.59948663 H 19.51692759 8.09599298 1.61156188 1 0.66059719 -0.34264176 -0.53339484 H 0.02194630 9.76747182 0.00307098 1 0.88523142 -0.53797506 0.30174280 Ni 1.65835280 11.37244015 0.01704577 28 -2.11393394 -0.13461698 1.70443268 H 1.57285305 9.76449628 1.64833690 1 0.28033794 -0.28189971 -0.52947978 H 0.01796846 11.38155500 1.61218284 1 0.65631729 0.05418017 -0.11456542 Ni 3.27078728 9.78712517 -0.00225045 28 0.83678795 -0.53831950 1.58321967 H 4.90543746 11.36331375 -0.01461020 1 -0.95029596 -0.13991847 -0.07829535 H 4.86764182 9.77074798 1.62717592 1 -0.61637805 -0.11298989 -0.40588088 Ni 3.24048656 11.42386163 1.64951004 28 0.53560600 -0.31308145 -1.12063222 H 6.48584064 9.76506222 0.01731202 1 0.36086336 -0.15677136 0.06312400 Ni 8.09896321 11.35148187 -0.00180478 28 -0.63537682 0.78608737 1.07104176 Ni 8.14652791 9.76566159 1.60684804 28 0.06183902 -0.80240718 -0.52665887 H 6.52582121 11.36890932 1.63651846 1 1.07276936 -0.33813604 0.01697611 Ni 9.75440037 9.75851530 0.02886439 28 1.46627716 -0.61023631 2.80703472 H 11.38858092 11.40648828 -0.02224401 1 -0.23142925 -0.09447109 -0.17286150 H 11.38147965 9.78731695 1.62003525 1 -0.29314584 -0.20659287 -0.42049637 H 9.77039489 11.37798294 1.63960391 1 -0.82336629 -0.56788774 -0.49975756 H 13.04341876 9.77815003 0.00489773 1 0.40048019 -0.89843002 0.25466113 H 14.62205685 11.44261896 0.03136438 1 0.19506914 0.40867440 -0.12336084 H 14.58998253 9.73685775 1.67568790 1 0.29321349 -1.27241850 0.02694245 H 13.03276864 11.35423728 1.60839683 1 0.07055404 0.65488583 0.10116648 Ni 16.24047241 9.74160515 -0.01455029 28 0.58125040 0.17349437 2.97338969 Ni 17.91293319 11.41105052 0.05093126 28 -0.58640352 -0.42734906 -0.08961575 H 17.88137219 9.74705704 1.61131504 1 -0.19176211 0.13162438 -0.44570264 H 16.26072689 11.37218746 1.63045219 1 0.21873346 -0.22856827 -0.29259189 Ni 19.52250413 9.76130969 -0.03035123 28 -0.82759708 -0.87374362 0.97325765 H 21.12887957 11.38726672 0.01394389 1 -0.42711547 -0.40741159 0.83149035 Ni 21.17040343 9.77838878 1.65853292 28 -0.90218623 -1.03318259 0.54165468 Ni 19.51969135 11.40984405 1.61484639 28 0.24263257 -0.51357938 0.41638615 H 0.01430401 12.95071579 0.00614679 1 0.39150399 0.13880357 0.48886137 H 1.64264093 14.61175174 0.01572537 1 0.39770416 -0.05254879 0.71336998 H 1.60225210 13.02265514 1.62799187 1 0.49759708 0.01716071 -0.13883463 Ni -0.02702544 14.63450429 1.64439610 28 3.97136342 0.08472058 0.91984873 Ni 3.29142157 13.00514047 0.03595881 28 -0.14582154 -0.18775789 0.20411956 Ni 4.85443159 14.64951492 -0.00236831 28 1.45976970 -1.56408810 -0.90514477 H 4.88186277 13.03911255 1.60689931 1 -1.12747889 0.43784044 -0.23327697 Ni 3.28380010 14.58200600 1.61184323 28 -1.70286866 0.20777138 2.09102196 H 6.51246878 12.99805553 -0.00049894 1 0.80555606 0.38665915 0.20050666 Ni 8.11965054 14.63319131 0.02641745 28 1.67743857 -1.04503052 -0.55545047 Ni 8.11375585 12.97750347 1.64285955 28 0.15271741 -1.11337981 -0.76877569 Ni 6.52816456 14.61520907 1.63068797 28 -2.66772589 -1.39406879 1.49934118 H 9.77653818 12.95277972 -0.02977540 1 -0.42055670 0.27078263 -0.00071021 Ni 11.38570330 14.66442726 -0.01408154 28 -1.10207145 -0.00458567 3.25044395 H 11.40891930 12.99831782 1.59448693 1 0.42611478 0.27339545 -0.44657258 H 9.73755959 14.67020116 1.60767867 1 -0.60748992 -0.03830815 -0.58405797 Ni 13.02506973 13.00544355 -0.00750283 28 -0.75425207 -0.94762997 1.67409282 Ni 14.65144954 14.65364515 0.00480934 28 -1.31499156 0.97448565 -0.29514428 Ni 14.62338808 13.02606181 1.66722216 28 -0.79103225 -0.44185772 -0.79130993 H 12.95093959 14.63750046 1.62266214 1 -0.20956802 -0.04334324 -1.07348775 Ni 16.24198578 13.02115153 -0.00080075 28 -0.80880695 -2.01977013 -1.06486640 Ni 17.86545095 14.63644061 0.01245166 28 2.58194581 0.79856385 0.22186968 Ni 17.89124903 13.00048713 1.63985604 28 1.75726149 1.10068232 0.83506685 Ni 16.26123547 14.64089868 1.62912430 28 -0.15063100 2.92189718 2.34393921 H 19.51910626 13.00801527 0.01460523 1 0.19147832 0.38511691 0.47520585 Ni 21.13117329 14.64398020 -0.00255637 28 -2.62968032 -0.19884020 1.39038045 Ni 21.14222744 12.96765721 1.59690613 28 -1.05142925 0.66387000 -0.58566084 H 19.54400855 14.66596798 1.64292355 1 1.24025201 0.35160479 -0.43348159 H 0.00495789 16.29145189 0.03170488 1 -0.09168281 -0.07910146 0.99645308 H 1.63505108 17.90456841 0.00318923 1 -0.34531213 0.58634027 0.88830125 H 1.67111571 16.23692224 1.61492787 1 -0.04810283 0.07504077 -0.17783351 Ni 0.02180069 17.88635859 1.62164483 28 0.71003467 -1.60366509 0.19847892 Ni 3.28348175 16.26707771 0.02447622 28 -1.89990262 0.71787152 -0.45275036 H 4.88805542 17.85812562 0.00280478 1 -0.32678151 -0.93109540 0.34623501 Ni 4.86100481 16.27597740 1.60960124 28 1.49055431 0.54288110 2.04162908 Ni 3.26489543 17.90349853 1.62041320 28 -0.52473071 0.94716755 -0.45314261 Ni 6.52434532 16.27442615 -0.00498803 28 -0.42484947 2.09176762 -0.34520029 H 8.15909498 17.87699324 -0.00117097 1 0.23436358 0.01682033 0.16516255 Ni 8.11786503 16.24498869 1.63167552 28 1.46362234 1.78437144 0.67534425 H 6.54169941 17.90782811 1.61822876 1 0.26697203 -0.37093003 0.68565405 H 9.79872926 16.27519765 -0.02430658 1 0.01639602 -0.83960837 0.05309125 H 11.39478233 17.86171046 -0.00947311 1 0.21288940 0.55746229 -0.01014134 H 11.36891445 16.26583829 1.61248728 1 0.86039442 -0.38261958 -0.52263942 H 9.72778783 17.86233221 1.61918612 1 -0.65495942 0.42949760 -0.22412699 Ni 13.03022784 16.28451088 -0.02921277 28 -0.77166543 -0.48991916 1.30115693 Ni 14.62384474 17.86112969 -0.02721218 28 0.17169675 -0.41474462 -1.27126255 H 14.64474016 16.25559421 1.62848777 1 -0.20375446 0.32281371 -0.62309299 Ni 12.98728310 17.91515695 1.64267935 28 -2.19838278 -1.13156263 -0.37368410 Ni 16.23027870 16.28317263 -0.01048193 28 0.76943054 0.50301721 0.14113998 H 17.91775243 17.89534868 0.02962013 1 -0.24494844 0.63926110 0.02277477 H 17.89196191 16.28415039 1.62798392 1 -0.23476208 0.16122466 -0.00258271 Ni 16.24634488 17.88034504 1.63744450 28 1.60528330 -0.67978659 0.50355743 H 19.48315548 16.26247551 0.00025664 1 0.64102173 -0.87259978 0.19713329 H 21.11122021 17.85751800 -0.00438879 1 -0.34849753 0.45302071 0.75189712 Ni 21.13185552 16.25925946 1.61622608 28 -1.19691238 0.51308129 -1.28820126 H 19.49008181 17.84872410 1.59930808 1 0.84705246 0.32669523 0.61289182 Ni 0.01453504 19.49021593 0.03042017 28 0.85151157 0.08629380 0.47036870 Ni 1.64081926 21.11491757 0.01077283 28 0.83208640 -1.25329897 1.96846526 Ni 1.62140190 19.53034268 1.65535594 28 0.74232486 0.91908509 0.04164215 H -0.00153331 21.13534787 1.63498784 1 1.39727549 -0.74650635 -0.58362225 H 3.25285378 19.53313561 -0.00857799 1 -1.03145971 0.47505466 0.45883430 H 4.85617801 21.16702523 0.01107094 1 -0.11193324 -0.24148802 0.28732479 H 4.88265729 19.51550638 1.64354923 1 0.04689780 -0.50073237 0.59631970 H 3.26873867 21.16540811 1.60608904 1 -1.39264272 -0.16632909 -0.29376263 H 6.49771589 19.50980342 -0.00392270 1 0.10236839 0.11535569 0.12453581 H 8.10998147 21.15120796 -0.01885703 1 1.30018400 -0.53535652 0.62206357 H 8.14809959 19.46492603 1.63953938 1 0.83219207 0.30815450 0.08137207 H 6.47072756 21.14311723 1.60204781 1 0.05959425 -0.33020760 0.17048000 Ni 9.78388941 19.52941340 0.03083186 28 -0.19879841 -1.57617054 2.81015979 Ni 11.38960622 21.17019381 -0.00341504 28 0.68727311 -0.86436929 1.42491279 H 11.38141677 19.51276259 1.61175367 1 -0.69483409 0.91011766 -1.28178242 Ni 9.73197939 21.16349331 1.60156719 28 -0.49395642 -2.85013762 1.44881912 Ni 13.03406986 19.50674754 0.00566119 28 -2.20621662 0.21615881 -0.15541583 Ni 14.57710457 21.14843283 -0.00162911 28 0.23436821 0.47132747 0.96296226 Ni 14.63805856 19.51353176 1.60516123 28 1.21166066 1.90111736 0.66756247 H 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