500 Lattice="16.228106783308935 0.0 0.0 0.0 16.228106783308935 0.0 0.0 0.0 16.228106783308935" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1217.2297122228251 stress="-0.0018288765102809684 -0.0051424452116975465 -0.0019495061178062287 -0.0051424452116975465 -0.006283196189212161 0.0022801589748709396 -0.0019495061178062287 0.0022801589748709396 0.00018123913508600974" free_energy=-1217.2297122228251 pbc="F F F" Ni 0.03893510 0.03901467 0.01999660 0.12410524 0.03611518 0.36280609 Ni 1.58672477 1.61311684 0.00488379 0.51124032 0.47015646 0.33243614 H 1.58816209 0.03015079 1.64759168 -0.15645832 0.14387493 -0.25598718 Ni 0.01506706 1.64927291 1.63172576 1.06571558 0.19516435 0.91492815 H 3.23975179 0.01294928 0.05531198 0.05268484 0.13876246 0.11923860 H 4.91070622 1.67235784 0.03915779 0.00156661 -0.10225076 0.24666063 Ni 4.85005480 0.03564583 1.61139671 0.68176602 0.02886324 0.12300158 Ni 3.25435492 1.63228555 1.62060468 -0.90719811 0.06014630 -0.37871565 H 6.50164491 0.02066228 0.03320612 0.12127136 0.09041608 0.23448406 Ni 8.15654657 1.60651348 0.03585363 0.27601292 1.17091752 0.20280726 Ni 8.14574153 0.00191556 1.63468375 -0.66128156 -0.12827540 0.46921316 Ni 6.47290288 1.61630139 1.62853819 -0.16333295 0.72688676 1.17146756 Ni 9.73393124 0.04136113 0.01588811 0.16884410 -0.50371067 -0.03343321 Ni 11.38815342 1.59343968 0.00673175 -0.73855335 0.27251813 -1.04226627 Ni 11.38399534 0.02563287 1.61762002 -0.60593056 -1.62516228 -0.56968903 H 9.77154993 1.63097905 1.61583098 0.28076549 -0.57421925 -0.24628738 H 12.97410881 0.01362118 0.05461960 -0.09293762 0.12284517 -0.04389262 Ni 14.60561106 1.61166578 0.03522747 0.16253361 -0.99981522 -0.33567510 H 14.54183668 0.03298115 1.63548274 0.03710572 0.11398209 0.12565673 Ni 13.00430250 1.60394931 1.59959238 1.00318254 -1.44970213 -0.40002992 H 0.02529866 3.26791926 0.02333390 0.11341881 -0.57051438 0.11699658 H 1.61681923 4.91060258 0.02867934 -0.11954897 0.27857201 -0.11276497 H 1.59746741 3.25175161 1.65484086 0.16346235 -0.24374019 0.04238347 H 0.02375663 4.84471956 1.64614081 -0.11560983 0.25628145 -0.09633528 H 3.28622697 3.25075474 0.04353896 0.15467902 0.03046926 0.04468001 Ni 4.86751126 4.84576194 0.01053106 -0.42953879 0.44662271 -0.87324180 Ni 4.87026481 3.27730420 1.62208921 1.02225200 -1.41757675 0.60858560 Ni 3.25004661 4.86913982 1.62877115 0.35691216 0.32311850 -1.85639300 H 6.50252260 3.23734190 0.02932952 -0.12584418 -0.01223634 0.10118185 H 8.13672154 4.86567238 0.03572449 -0.10419551 0.28731218 0.11557707 H 8.11189761 3.27435896 1.63543062 -0.13187921 0.04752235 -0.20819584 Ni 6.49079237 4.85461583 1.60551939 0.65771001 -0.38451769 1.69991359 H 9.75963028 3.20759028 0.02432481 0.06466232 -0.08201234 -0.07496429 H 11.36302958 4.86662646 0.00340021 0.09300266 0.00993459 0.05032072 Ni 11.35444273 3.22773622 1.64848647 -1.36162321 1.36487580 -0.55775552 Ni 9.76139188 4.87880764 1.61369715 -0.73498503 -0.30142426 0.05771204 Ni 12.99190763 3.25333386 0.03034558 -0.21551001 1.96483848 -0.93505399 H 14.60601324 4.87390487 0.00792516 -0.08881807 -0.17885727 -0.06448670 Ni 14.60632191 3.22430883 1.59261368 0.87436210 1.81300023 0.58308250 H 12.94937854 4.86983360 1.62853129 -0.11696143 -0.15682728 -0.07160253 Ni 0.03310311 6.48463745 0.02629297 -0.31463387 -0.58386287 -0.37690746 Ni 1.65131005 8.11177416 0.00626231 -0.32221054 0.55851440 -0.97281846 Ni 1.60337111 6.48688327 1.62721258 -0.87178702 -1.44748432 -0.95994631 Ni 0.02764972 8.12248032 1.63698328 -0.59314737 1.51938894 0.51207270 H 3.25245518 6.48704661 0.05411037 -0.13812030 -0.03565618 0.02416344 H 4.92919405 8.15360216 0.01070955 -0.15894970 0.20974583 -0.14105015 H 4.84959047 6.48141798 1.58307529 -0.08758444 -0.22371343 -0.07484794 Ni 3.22483531 8.11062117 1.61972397 0.89904369 0.20624728 -0.70795826 Ni 6.51310722 6.46780324 0.00469738 -0.66246279 0.82678158 0.12657520 Ni 8.11841102 8.12795762 0.00838068 0.37076083 -0.11124749 0.39449845 Ni 8.13328114 6.52230069 1.63826396 0.74043857 0.38719624 0.46452136 H 6.50264888 8.13080563 1.62090769 0.39701661 0.13463533 0.12841732 H 9.72148966 6.52369419 0.06195569 -0.02752853 0.07185141 0.11490618 Ni 11.36558818 8.10549991 0.01170465 -1.06444915 1.35029004 -0.05750381 Ni 11.33444615 6.49986806 1.65837553 -1.71435589 -1.53028124 -0.35986610 H 9.73158834 8.11216471 1.63063154 -0.25984110 0.15732858 -0.04390089 Ni 12.95258092 6.49706534 0.02675608 0.82676142 -2.04853340 -0.16912667 Ni 14.61780897 8.12427384 0.02800939 0.02974996 0.01307553 -0.53923655 H 14.55347913 6.51155154 1.61434550 -0.05838009 0.40495248 -0.12836458 Ni 12.98227753 8.14101134 1.59686324 -0.33362685 1.10481558 -0.56285370 H 0.01215042 9.70189303 0.02994612 -0.11517337 -0.14563030 0.08206925 H 1.63281461 11.33178802 0.00389202 -0.07233979 0.27051658 -0.13015824 H 1.58226267 9.74620822 1.63608657 -0.12213609 -0.28912037 -0.07060853 Ni 0.04984529 11.33974164 1.57024394 -0.28668131 -1.93620514 -0.13979389 Ni 3.26937556 9.70718365 0.00582504 -0.43227178 1.69527906 0.05090581 H 4.85578327 11.37388849 0.02181057 -0.12044917 0.16761999 -0.11210935 Ni 4.83701765 9.74536612 1.61989114 0.78699397 0.98574185 -0.71556511 H 3.26950270 11.30972126 1.58525274 0.29461576 0.20442979 0.02347796 H 6.49902289 9.70538880 0.02669507 0.17017022 -0.12226185 -0.10912039 H 8.13132716 11.31348044 0.00847084 -0.01565418 -0.13765731 -0.15908079 Ni 8.14551143 9.76124712 1.64936703 -0.87180002 1.04365533 -1.00093199 H 6.53102205 11.40615400 1.61637951 -0.24703745 0.17713806 0.17503103 Ni 9.76128512 9.75180959 0.00797978 0.20829230 -0.00177224 0.94340548 Ni 11.35626234 11.35173644 0.03219260 -0.08857323 -1.02267173 -0.18973834 H 11.34539692 9.70816369 1.61207205 0.06863763 -0.01482760 0.00677762 H 9.75515252 11.40005789 1.59194307 0.27252114 -0.29515468 -0.11569346 H 12.95362614 9.73912863 0.01547365 0.17292678 -0.03199813 0.09517292 Ni 14.62717606 11.34809070 0.00982139 0.12744346 -0.80074886 -0.82389989 Ni 14.59392129 9.71260275 1.60688382 1.78880171 0.67665685 -0.79214905 Ni 12.98154981 11.35978238 1.65131318 -0.79219919 -2.01734903 -1.45145456 Ni 0.02902987 12.93750859 0.01398743 0.28725274 0.25916948 -0.67079918 H 1.66005669 14.63373921 0.05655485 0.00224794 -0.12591302 0.11925795 Ni 1.60675418 13.00946542 1.65121748 1.47677191 -1.21028695 -2.41702335 Ni 0.01442411 14.59305357 1.60307517 -0.70104309 1.10413254 -0.73129465 Ni 3.28571351 12.96114279 0.00770452 -0.31875922 -1.04456142 -0.26276644 H 4.81486920 14.61507724 0.03118182 -0.15838638 -0.24453667 0.07539417 Ni 4.85981080 12.99890949 1.60167192 0.88585634 -0.26253815 -0.67153721 Ni 3.21054871 14.60077765 1.61215822 0.56170869 1.61618108 -0.50595088 Ni 6.51310853 12.98665083 0.00381160 -0.13302069 -0.09432006 1.34940106 H 8.09903948 14.61507248 0.01492280 0.01022744 -0.24353696 0.21956443 H 8.11423592 12.97081454 1.63062246 -0.21237213 0.30294078 -0.03871602 H 6.47757559 14.57760133 1.57667481 -0.09887840 -0.28565753 -0.04124848 H 9.74032917 12.99546547 0.00126035 0.36734278 0.27301182 -0.00445989 Ni 11.34635431 14.62792503 0.04292055 0.27546579 -0.09374247 -0.26517904 Ni 11.35882140 12.97481314 1.59123235 -1.48279325 0.98777636 0.79335160 Ni 9.74333999 14.59189271 1.61302277 -0.81925936 -0.70735347 0.13680841 Ni 13.00515132 12.96181049 0.02101406 0.27281238 1.48466902 -1.39480808 H 14.63033384 14.58790911 0.01631215 -0.20579068 -0.49863896 0.20410393 Ni 14.57506196 12.97600143 1.61390555 1.28504994 1.78727948 -0.00144811 H 13.00466002 14.58478240 1.62946510 -0.07983768 -0.15506536 -0.18081048 H 0.02355261 0.04240756 3.21435995 -0.20237370 0.31264406 -0.00977001 H 1.67402638 1.66629119 3.25214142 0.23931742 -0.08731262 -0.04189253 H 1.65662345 0.02583067 4.85249095 0.04726396 0.11986991 0.26253277 Ni 0.02930470 1.60602156 4.86474566 0.64645695 0.96877218 -1.14366935 Ni 3.26717091 0.02184653 3.28390952 -1.23090918 -0.18843493 -0.51984616 H 4.87789263 1.58999293 3.24634716 -0.34796241 -0.16968389 -0.08010481 Ni 4.86955890 0.02900886 4.83792727 1.12894651 -1.56334911 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Ni 1.63230987 4.89642104 3.25592363 -2.88209595 -2.02288485 -0.72636370 H 1.62067528 3.22847636 4.82482132 0.02155230 0.15534141 -0.03534893 Ni 0.01240950 4.85711433 4.86953492 -0.53242383 -0.89659848 0.45841208 Ni 3.23608138 3.26678991 3.22082246 -0.80035202 -1.57568998 0.12359283 H 4.87086461 4.83782668 3.25768509 -0.25739472 -0.34032901 0.01130437 Ni 4.84341211 3.23619127 4.87284967 0.60253210 0.96697714 -1.12807308 Ni 3.26964339 4.84294914 4.87088860 1.60742756 -0.64185205 1.20869025 H 6.47071230 3.18482399 3.22110982 -0.08604286 0.00041361 0.05441185 H 8.12436017 4.86594026 3.23359498 -0.12783733 0.01083006 -0.16172440 Ni 8.09559508 3.24130810 4.83872247 0.95524148 0.89380072 -1.86039403 Ni 6.48769239 4.87909339 4.85174705 -1.15103560 1.50599591 -1.17126390 H 9.73611811 3.27930999 3.29582009 0.08683782 -0.06454753 0.01380410 H 11.37108109 4.88458446 3.24018334 0.07753603 0.16166353 -0.27386276 H 11.34687819 3.19828327 4.93275034 0.09262712 -0.18890484 -0.15463899 H 9.78729460 4.88465859 4.89290449 -0.08902358 0.09597817 0.15385166 Ni 12.96065734 3.25372921 3.26193095 -0.15917049 2.05049867 1.43219288 H 14.62305957 4.90247489 3.25650632 0.10899180 -0.07779381 0.15397912 Ni 14.62903208 3.22183070 4.86038571 0.48565178 0.83790024 -0.58681913 H 12.95073909 4.86917457 4.85800696 0.27042042 0.01896718 -0.04105901 H 0.03096607 6.45370444 3.24668475 0.17708122 -0.03512250 0.03868746 Ni 1.65467806 8.09049526 3.27788108 -0.76503581 2.22166189 0.58875973 Ni 1.64363881 6.48648447 4.85339324 -1.88212446 1.69489798 0.49949443 H 0.03388858 8.10136091 4.86174435 0.19888308 0.07095880 0.06872579 Ni 3.25683457 6.48400395 3.23616616 3.19402622 -0.04322264 1.03197148 Ni 4.86158557 8.09020139 3.25029678 0.78271442 -1.34574244 0.58990208 H 4.92271810 6.48160349 4.92822734 -0.18466090 0.01640869 0.07602576 H 3.26584625 8.14879171 4.87540416 -0.14813514 -0.09843106 0.09287224 H 6.49483160 6.46105155 3.21944885 0.21119829 -0.06585129 -0.10665787 Ni 8.12414244 8.13097349 3.21790233 0.06798059 -2.25318795 0.23957097 H 8.11169470 6.47744155 4.90334708 -0.17239350 -0.24714152 0.04702846 H 6.44317293 8.13255444 4.88202566 -0.25414284 0.59223632 -0.15177089 H 9.70655946 6.48502852 3.25328104 0.09345515 0.07996008 -0.31111056 Ni 11.33033450 8.09773546 3.21923569 -2.81853152 1.76757432 -0.05694585 Ni 11.35829078 6.46784863 4.85710756 -0.94374846 -1.87529657 0.87014167 H 9.75571849 8.12945211 4.86018902 0.13396424 0.21177509 -0.17571071 Ni 12.97636771 6.48539392 3.24101578 1.14424259 -3.39460177 -1.07072642 Ni 14.63113260 8.12671265 3.24005605 2.15210808 -0.78343734 -0.84427021 Ni 14.58475585 6.49985864 4.84569200 -0.00260920 -0.84815983 1.20973958 Ni 12.92820761 8.13714500 4.86174280 0.35848568 0.98435287 2.56541523 H 0.02521918 9.72259509 3.22175501 0.07804670 0.12716070 0.02268746 Ni 1.60280456 11.36888440 3.23539534 1.98397432 -1.78727615 -0.05994994 Ni 1.62854180 9.70967134 4.86757881 1.23484490 0.18640842 0.26793405 Ni 0.01574245 11.33751353 4.84773835 -0.49868689 0.06742461 0.65877997 H 3.27152583 9.71903072 3.21434188 0.24214121 -0.19288643 -0.00055072 Ni 4.84905515 11.39036999 3.21988076 -0.54800177 -0.39076159 0.65288662 Ni 4.85817559 9.71000793 4.82100115 -1.97215045 0.23749259 0.24599381 H 3.28039943 11.36476907 4.85016260 0.19964893 -0.15655696 -0.23816146 Ni 6.49356437 9.72904459 3.27296973 0.78158636 1.06521677 -0.45241081 H 8.09151000 11.33842605 3.26056887 0.02970477 -0.40560239 0.10935467 Ni 8.11928590 9.74524867 4.88732767 -1.09178564 -1.11828319 -0.01340148 H 6.50966150 11.36180439 4.90300685 -0.15659400 -0.43586545 0.05115326 Ni 9.70572715 9.76272753 3.25948200 1.54631012 -0.40782162 -1.05733153 Ni 11.35089066 11.35954433 3.24008851 -1.60949076 -0.18489978 -0.08748216 H 11.37289205 9.75687371 4.87654428 0.00075369 0.22334700 -0.07019383 Ni 9.71110525 11.36232436 4.86060218 0.40094903 2.20055291 -0.26056296 Ni 12.98918682 9.76127436 3.26093824 -2.15115126 -0.68772795 -0.43445289 Ni 14.63025953 11.35403955 3.23912005 3.06111316 -0.08945033 -0.19745578 Ni 14.58772205 9.70778767 4.88212394 1.31193109 -0.00688783 2.20770699 Ni 12.99104248 11.34721438 4.84113905 -1.06915662 0.02338694 3.03852179 Ni 0.02049371 13.02762307 3.24009784 -2.23928393 -0.62936860 1.16529249 Ni 1.59283050 14.61269921 3.21526541 0.44859525 1.97315215 1.48655300 H 1.59660119 13.00972829 4.87565494 -0.40252679 0.20281310 -0.41523092 Ni 0.00505168 14.60636998 4.88777602 0.56104818 0.01827111 0.77398552 Ni 3.25520402 12.98341096 3.26503643 0.40663442 -0.58865139 1.45661458 H 4.91799587 14.62800255 3.24375145 -0.12855133 -0.05096098 -0.04326279 H 4.90485930 12.95869552 4.87354786 -0.09275141 -0.04879369 -0.27337425 Ni 3.26099695 14.62650479 4.84685518 -0.25195288 -0.66504255 0.81597172 Ni 6.51197519 13.02620034 3.22781351 0.67544107 -0.06787105 0.33137939 H 8.10427064 14.61446014 3.20646874 -0.01569621 -0.14268928 -0.29599022 H 8.09265709 12.96590533 4.82340031 -0.03679058 0.09026926 0.06020620 H 6.51916544 14.60680765 4.88034070 0.31514719 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-0.35286446 1.68087124 H 0.03420170 3.26423420 6.46906715 0.11960870 0.03646615 0.10954960 Ni 1.61709161 4.83910893 6.48119029 0.18363087 -1.85385950 0.07885965 Ni 1.61890365 3.22518352 8.12788399 1.15848904 0.81060374 -0.29646801 Ni 0.01443077 4.87872867 8.09004956 -0.99456852 0.25094279 -0.37739539 H 3.19616086 3.22901498 6.44943043 -0.04575792 -0.26235922 -0.03836815 H 4.84779512 4.80980292 6.49685436 0.19702698 -0.28465654 -0.20012407 Ni 4.89626272 3.21581044 8.10397257 -1.52910269 1.41853332 0.70356828 H 3.24928628 4.85240507 8.14877171 -0.13757640 -0.13521457 0.08518435 Ni 6.45002187 3.24963759 6.51856909 0.29776008 1.24368189 -0.79864756 Ni 8.13478159 4.88493058 6.50365012 1.80444435 1.18903219 0.28803861 Ni 8.09345459 3.23925877 8.13776454 2.07176288 0.61990238 0.48730207 Ni 6.50546644 4.89785021 8.11374443 -0.93556868 2.72803693 -0.08413199 H 9.73615454 3.25347218 6.46614137 -0.43771041 -0.24826537 0.08719139 H 11.34469175 4.85322021 6.47275228 0.20915236 0.01495541 0.19802013 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6.51537596 6.52992557 0.01111306 -0.08633953 0.15477754 H 8.05640894 8.13132395 6.45925802 -0.04768311 0.54773238 0.29824788 H 8.07080188 6.50290645 8.11593530 -0.18038455 -0.03359393 0.11148972 Ni 6.50527131 8.09379180 8.08689818 0.04050644 -1.61076483 0.21595126 H 9.68589164 6.50253818 6.48298560 0.22851368 0.04265521 0.09734160 Ni 11.36343585 8.14424683 6.47093170 0.29974874 0.91838038 -0.74242199 Ni 11.35373614 6.47462223 8.12363446 -1.27681718 -0.44607317 -0.87280047 Ni 9.73836034 8.10701632 8.09150180 0.31269152 -1.82108624 0.63981307 H 12.94954375 6.47292839 6.48384445 -0.17556090 0.17088902 -0.01745643 H 14.60566899 8.11261105 6.46912134 0.13157065 0.21207523 -0.11187605 H 14.61073716 6.54532284 8.14231960 -0.04399099 0.06630054 0.24025184 Ni 12.95139971 8.12824627 8.14411104 -0.29476327 1.01788105 -0.40100332 H 0.00363993 9.71989560 6.45105555 -0.01370474 0.09364072 -0.18417756 H 1.61715558 11.35836350 6.55194024 -0.51422110 0.16954432 0.09770429 H 1.59779502 9.74699142 8.09265971 -0.35695380 0.00690519 0.12153287 Ni 0.03390448 11.38609161 8.11620609 0.16833163 -0.35105846 0.02301966 H 3.25754452 9.76891395 6.44123215 0.11498866 -0.08194654 -0.23892354 Ni 4.85263360 11.34914692 6.48654675 -1.02774361 0.44000486 -1.08114961 H 4.90733081 9.71079395 8.06617902 0.36653820 -0.18477844 -0.24738143 H 3.21681483 11.41807745 8.15117596 0.14185167 0.37974092 0.04297201 Ni 6.50026693 9.75918830 6.48418458 -0.56148554 -1.20478468 -0.78334305 Ni 8.08786035 11.33402795 6.54216896 0.37366751 3.93206246 -0.27777412 Ni 8.14279791 9.75396843 8.12425943 -0.78990129 0.98288706 1.00720372 Ni 6.46551460 11.40415224 8.12279750 0.24914230 -0.31840756 1.47997191 Ni 9.74700548 9.74193255 6.53861452 1.15409872 -0.48643239 -0.54092448 Ni 11.37520270 11.32493818 6.50471597 0.62093911 0.30237044 1.04499686 H 11.34216465 9.73011933 8.14054498 -0.29180717 -0.07511816 -0.17611280 H 9.76689555 11.38593521 8.06003073 0.08978659 -0.27996748 0.00749028 H 12.98363155 9.76226114 6.47113229 0.06357949 -0.09175955 -0.08130495 H 14.62048470 11.31657240 6.54556669 0.25640414 -0.21645167 -0.07992431 Ni 14.61743155 9.73222701 8.08069739 -0.90849953 0.39892855 -0.36663878 H 12.96331069 11.30375523 8.10774152 -0.09015484 -0.11765438 0.04817834 Ni 0.05875023 12.96457163 6.48085327 0.29406234 0.29433209 -1.04160592 H 1.60017052 14.55324589 6.48436681 -0.23500756 0.01250216 0.19684889 Ni 1.60164499 13.02297071 8.12669725 0.78529203 -0.14056410 0.38326774 Ni 0.01012643 14.63067874 8.12557052 0.57930770 -0.26590917 0.42063519 H 3.26917231 12.97350987 6.45678172 0.24968597 0.15731731 0.26753200 H 4.86470616 14.58202622 6.50618623 -0.33365819 0.20121973 0.08203865 Ni 4.81519062 12.94277069 8.11601554 0.13718446 0.32560373 -1.21922203 Ni 3.27671757 14.61286252 8.12109690 -1.25471592 0.99972648 -1.17814995 H 6.52839760 12.94427475 6.53646986 0.04178273 -0.17021823 0.24628015 Ni 8.12447278 14.60259492 6.48158075 0.25954627 -1.47905854 0.44919845 H 8.08719165 12.97358397 8.12028739 -0.15357403 0.09802277 0.13154329 H 6.46610566 14.61561577 8.12116172 0.07266369 0.11219619 0.24536910 H 9.71358530 12.99952273 6.52725786 -0.00903344 0.11622822 -0.20837833 Ni 11.32778413 14.57843083 6.44432161 -0.02317631 -1.50324549 -0.29853590 H 11.34089493 12.92256445 8.08394943 0.04525770 0.01234938 0.01425865 H 9.71688495 14.58216366 8.09206494 -0.16157319 0.18976145 -0.10813172 H 13.00142405 12.99070358 6.48746724 0.03054995 0.29350402 -0.04604916 Ni 14.58856345 14.63361185 6.51461652 -0.82200715 -0.51890317 0.25684072 H 14.60618947 13.01019269 8.12474219 0.10453066 0.60810617 0.07280817 Ni 12.95241118 14.61839481 8.06652188 -0.16009993 -0.81818618 0.17808537 H 0.00398890 0.02392617 9.74344715 -0.19364808 0.23708304 0.01096072 H 1.61767169 1.60287183 9.72891283 -0.01889387 0.25240105 -0.23089287 H 1.62012439 0.04760963 11.34861043 -0.21860172 -0.14265565 -0.00225681 Ni 0.02895521 1.65478556 11.38504442 1.15131987 -0.40634725 -0.60958305 Ni 3.25982855 0.02757920 9.73896429 -0.36925580 0.86056978 -0.29009288 H 4.87444681 1.65442058 9.72526315 -0.37197198 -0.13791662 -0.17840054 Ni 4.88246110 0.01383724 11.32773089 0.28944936 1.11404479 0.34935013 H 3.20740958 1.61755345 11.35982645 0.23800689 -0.11797143 -0.14841248 H 6.49637115 0.01084776 9.70197725 0.03211281 -0.01273277 0.13650776 Ni 8.14015173 1.59746036 9.75330513 0.16307547 0.00252020 1.86849958 H 8.10940997 0.02470702 11.40051892 -0.00135390 0.32070772 0.01272340 H 6.51614101 1.62874191 11.32586398 0.17023825 -0.30153270 0.04865236 H 9.73110982 0.04967623 9.75524536 -0.01714606 0.04251218 0.06233797 H 11.36695944 1.58336739 9.73189656 -0.05898736 0.04000587 -0.03319159 Ni 11.38407209 0.02022821 11.34803193 0.22092371 1.55245768 -0.14642274 H 9.71926066 1.62598469 11.42237823 -0.03723193 0.03072479 0.16585163 H 13.03741182 0.04074123 9.75749092 0.33363385 -0.04536668 0.08660694 Ni 14.60304882 1.64740265 9.72409640 -0.39310017 0.32145613 0.92298979 Ni 14.60879189 0.04185971 11.33452579 -0.98271563 0.19262557 0.17614457 H 12.99095136 1.62786083 11.36025946 0.01270648 -0.38355134 0.06660819 Ni 0.02052923 3.30533509 9.71921400 0.45596717 0.25328041 1.81080352 H 1.59379481 4.84546687 9.73636620 -0.09477296 -0.27963092 -0.32131098 H 1.61640028 3.28410871 11.37273785 -0.02340392 0.14759751 0.22297103 H 0.01686074 4.86743074 11.34263425 -0.22223054 -0.10095583 0.27324695 Ni 3.21577502 3.21748170 9.76835199 -0.63475894 -0.52432487 1.42277051 Ni 4.91847202 4.89178568 9.70652970 -0.34242952 0.85721507 -0.44740162 H 4.86304017 3.22016548 11.37866908 -0.31725240 0.38938114 -0.03936783 Ni 3.24261778 4.88291577 11.36325328 -0.53853744 0.40057684 -0.19169989 H 6.52176393 3.21064898 9.72517825 0.22541569 0.26565396 -0.44677988 Ni 8.11720557 4.88242500 9.71362263 1.47817555 0.10173967 0.34308702 H 8.10759905 3.21950461 11.34939293 -0.03920795 0.03013463 0.19140767 Ni 6.46678228 4.86224285 11.38764045 -0.54186055 -1.36985979 0.28323325 H 9.72820239 3.23669206 9.76410063 0.04060827 -0.02972540 -0.29718511 Ni 11.34577031 4.88658344 9.70657649 -1.87795973 -0.07216179 1.79601562 Ni 11.38992504 3.27509011 11.33476617 0.22976168 -1.13529026 -0.82757195 H 9.76076560 4.87737619 11.35298127 0.06111357 -0.07533060 0.27617424 H 12.94946912 3.25822914 9.74416835 -0.18955267 0.01944393 -0.36960483 H 14.55794566 4.91937858 9.72740136 0.09581953 0.00853413 -0.23062015 H 14.62800114 3.24723656 11.34876796 0.28668357 0.03946183 0.03962548 H 13.00111638 4.84018915 11.35483037 -0.18798509 -0.07542311 0.05695075 H 0.02012293 6.46168816 9.74189217 -0.03514253 -0.17396454 -0.45947569 H 1.62116511 8.17300399 9.73968527 -0.27560369 0.08394431 -0.19667485 H 1.60045843 6.51657540 11.35245006 -0.10370943 -0.07673693 0.44513039 H 0.03014151 8.08030084 11.39615226 -0.05017154 -0.04378288 0.25203400 H 3.24723527 6.53775473 9.78375128 0.29969071 -0.02878231 0.21036369 Ni 4.86878255 8.12555210 9.76779863 0.26274407 -0.18582777 -0.42927178 Ni 4.87053759 6.48563935 11.38155948 0.33610808 1.10557628 1.02218513 H 3.20676815 8.06954255 11.39297189 0.14408539 0.06830239 0.06260254 H 6.49302616 6.46883025 9.72408065 -0.04265805 -0.20501726 0.18968441 Ni 8.13787823 8.14202407 9.71368458 -1.97796287 -1.64495947 1.00885264 Ni 8.09677429 6.46866874 11.32529081 -0.70098586 0.68849201 0.01656442 H 6.45573374 8.13082820 11.35402884 -0.14576205 -0.06185588 -0.09858597 H 9.69644787 6.49604005 9.73705159 -0.22543021 0.13640963 0.01442037 H 11.33702286 8.11471969 9.78143649 0.02926357 0.02757834 0.09100211 H 11.34601402 6.46751530 11.33354007 0.05823540 0.00334783 -0.04592572 Ni 9.73376234 8.09738538 11.37056170 1.12998552 0.02720928 0.35791101 Ni 12.99424087 6.48839900 9.74637420 0.37386571 -0.29532869 1.50554689 Ni 14.60681101 8.10488361 9.70224594 0.73369726 -0.11120188 0.03805222 H 14.59279962 6.46613561 11.40732675 0.08375835 0.01237634 -0.08607468 Ni 12.98449747 8.12660011 11.37851081 -1.09409274 -0.56428559 1.16372585 Ni 0.00321393 9.76682498 9.74658104 1.04372459 -0.02971772 0.18465634 H 1.67467685 11.34366177 9.73310951 -0.20156925 0.15325303 -0.16979695 H 1.64918623 9.72360228 11.33002242 -0.07821059 -0.07076670 0.16140641 H 0.02393341 11.37054340 11.33731925 -0.01411347 -0.07678970 -0.05250083 H 3.23542823 9.71322322 9.76229977 0.28404763 -0.29153880 -0.00219068 H 4.83145428 11.33379825 9.71674407 0.09652933 0.35482906 -0.26689769 H 4.87007616 9.71724545 11.38866996 -0.01325124 -0.01548081 0.25380614 H 3.23984857 11.34387966 11.31223589 -0.17590569 0.10939562 0.24293626 H 6.52930445 9.77170225 9.75257255 0.04914541 -0.29825478 -0.36664425 H 8.10633839 11.30792678 9.72644662 -0.01316030 0.13945294 -0.16993211 H 8.13817855 9.73949864 11.34914967 0.09476216 -0.17556743 0.03752758 H 6.45831608 11.35902260 11.40135482 0.09437172 0.05194848 0.37774733 Ni 9.69732991 9.76708406 9.74524023 0.48433792 1.71960003 0.28509212 Ni 11.33410108 11.33049747 9.70989617 0.88938297 0.33116185 -0.54461214 Ni 11.32837387 9.75083857 11.36123971 0.94151006 -0.27620140 0.63310448 H 9.71365776 11.36590812 11.32880725 0.16985630 0.13911021 -0.06484430 H 12.97451507 9.68856390 9.75054469 0.28773712 -0.28426996 0.19810642 H 14.58978192 11.39142337 9.71205871 0.22934500 -0.44436249 -0.01799927 Ni 14.58066549 9.71815242 11.35579933 -0.93851607 0.78467639 0.46698565 H 12.99040000 11.37360530 11.40071058 -0.18885541 -0.10788988 0.09390579 H 0.05602698 12.96554335 9.76546083 -0.05909073 0.17377350 -0.10656250 H 1.61288012 14.56054520 9.76731760 0.08719296 -0.17524306 0.06347519 Ni 1.63557533 12.97435498 11.39672258 -0.51613484 0.02472616 -0.32687937 Ni 0.02906920 14.59187189 11.41516948 1.17573004 -0.63347445 -0.30184069 Ni 3.24921301 12.99589053 9.71074373 -0.58498840 -1.81730346 1.15705285 Ni 4.84674268 14.60015553 9.71986085 1.50502799 1.01609822 0.71527658 H 4.88316966 12.98556437 11.32447916 -0.14654611 0.19041355 -0.31723520 Ni 3.22440164 14.61263479 11.35722279 -0.44243847 0.02308582 0.82569880 Ni 6.48827581 12.99362170 9.74868286 -0.04114844 -0.36726034 0.49847443 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-0.59367786 H 0.00314847 1.62720325 14.61824159 0.01703841 -0.28989011 -0.16830768 H 3.25247307 0.04329548 12.99798046 0.18409258 -0.32122025 0.23007226 H 4.85257771 1.63764453 12.97899151 -0.14757355 -0.00612233 0.21134472 Ni 4.89289386 0.00647520 14.62711535 -0.26859452 1.11726385 -1.05677209 H 3.25234557 1.60287118 14.56944303 0.19648539 -0.02218213 0.15158207 H 6.48720927 0.05586274 13.01477891 -0.18378377 -0.02055566 0.04385391 Ni 8.10908971 1.62607230 13.02192124 -0.74144221 -0.25936564 -0.41285276 H 8.14051064 0.01500646 14.60421440 0.33550744 0.65002413 -0.25550266 H 6.52670152 1.59739121 14.60421891 -0.17685574 -0.08135130 0.04382120 H 9.73390191 0.00208723 12.97503502 -0.04139813 0.08877018 0.02714068 H 11.35568992 1.59893226 13.02478719 -0.09526686 -0.17078188 -0.08570330 H 11.30303028 0.04848862 14.59036845 -0.02760147 0.18507624 -0.14180303 Ni 9.71405622 1.65542930 14.60760052 0.53560745 -0.15381298 -0.52065382 Ni 12.96589489 0.02022023 12.99723053 -0.26231913 0.82802970 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-0.10577793 H 6.52783156 4.85340824 14.60621122 0.07002479 0.03041271 0.17813456 Ni 9.73167409 3.25315237 12.97592346 0.02830716 -0.90794234 -0.93647763 Ni 11.34523328 4.86515281 13.00829185 1.67940320 0.28037696 -1.92101924 H 11.35559546 3.27302540 14.58382628 -0.25093188 0.20243638 0.06917120 Ni 9.75326568 4.89978722 14.58048382 -0.20094201 -1.62284050 2.57247136 H 13.00592682 3.22047565 13.00590497 -0.00538363 0.44747680 0.03369997 Ni 14.63220527 4.87851167 12.93432403 -1.33624424 0.38314184 -0.17633336 H 14.56600747 3.21821826 14.62070079 -0.18123790 0.57876176 -0.12876314 Ni 12.99430765 4.86236565 14.59363301 0.33078746 -0.45858374 0.03176533 Ni 0.04721249 6.51406698 12.99557156 -0.14842861 -0.16363066 -0.07719044 Ni 1.57477421 8.13893537 12.96989182 -0.11088029 -0.37908671 -0.84497975 H 1.64491978 6.49760097 14.60036711 -0.17577320 -0.01157683 -0.10698386 H 0.00816838 8.13134609 14.54773954 0.08428846 -0.03877648 -0.14524147 H 3.27439185 6.52313037 12.93925129 -0.05176648 -0.00088989 -0.10442968 H 4.90185694 8.05898153 12.95163737 -0.08721517 0.08069247 0.06779568 H 4.85703145 6.51124727 14.57204515 -0.36086210 0.34889090 0.12317749 Ni 3.26868426 8.09789200 14.61411785 0.58368645 -0.85735033 -0.38501852 H 6.53143363 6.45380029 12.93556196 0.21885321 -0.31688621 -0.23168200 H 8.15928697 8.17037286 12.98134811 0.26103849 -0.22803136 0.08903265 Ni 8.08816447 6.48886405 14.61844463 -1.17594983 0.65174473 0.01978860 H 6.55052285 8.09893604 14.59735364 0.19092923 -0.07049188 0.07371802 Ni 9.72354262 6.51925007 12.97330549 0.84385070 0.57769148 -1.58625288 H 11.37711886 8.09550021 12.96050107 -0.16531919 -0.09101044 -0.03255351 Ni 11.34468407 6.46245361 14.61807787 1.21660711 1.32177944 0.66906116 Ni 9.72478166 8.12528375 14.59829842 0.24364638 1.11800105 -0.65582791 H 12.93402868 6.48276989 12.98715259 0.07744670 -0.19405885 0.51977487 H 14.62088951 8.13176093 12.95722774 0.03819955 0.22266420 0.16973503 Ni 14.61695545 6.54473133 14.62021042 -0.19872247 0.17230589 -0.58867622 Ni 13.00935960 8.12484239 14.63749195 -0.89832289 0.36915397 -1.23982489 H 0.00285647 9.76827506 12.99606602 0.07838885 0.14752580 0.30677777 Ni 1.66445877 11.39445277 12.95542866 0.21339181 -0.26170429 -0.34468068 Ni 1.65437912 9.71880576 14.58787386 -0.76581339 0.69402774 1.04487761 Ni 0.02253814 11.39420988 14.59679232 -0.01926937 -0.03603055 -0.38126830 Ni 3.26648774 9.72739177 13.00464929 1.25825169 0.05384215 -0.93554437 Ni 4.89361860 11.35401287 13.04440440 -0.81746992 1.37312269 -0.34632779 H 4.89915454 9.78237741 14.58642325 0.10174745 0.16654076 -0.17059581 H 3.26630280 11.39944388 14.60475058 -0.25811477 -0.11445178 -0.12768019 Ni 6.48508810 9.73312195 12.96137006 0.10672393 -1.53990550 -0.46532926 Ni 8.10707076 11.38498313 12.98050234 0.37595687 -0.65393565 -0.08147654 H 8.09882131 9.74808092 14.61838229 -0.18175003 0.16694036 0.03635305 Ni 6.50202304 11.38766925 14.62209143 0.13536919 0.80699371 0.27271380 H 9.70698950 9.76185431 12.97594379 0.16992721 0.01245734 -0.07104927 Ni 11.37639059 11.32997766 13.00352573 -0.81351059 -1.20287922 -1.27153713 H 11.36481209 9.73715319 14.62969317 0.10907935 0.00319568 0.21642969 H 9.69908911 11.39442530 14.61593691 0.12885941 0.25541946 -0.05845062 H 12.96516503 9.74715925 12.98836354 0.06481496 0.00926713 0.03816281 H 14.57349041 11.31966066 12.98747127 0.09279563 -0.20709213 0.17424800 Ni 14.61638168 9.74450204 14.57534531 -0.35762895 -0.32766854 -1.14128825 Ni 12.96790199 11.33929564 14.58795001 0.87867830 -0.84055927 0.38709441 H 0.05343541 12.98033818 12.99109584 0.12751475 -0.09633720 0.02215476 H 1.63784650 14.54520776 12.97390329 0.07114229 0.04784691 -0.13936079 Ni 1.62906923 12.99165991 14.61244075 0.01381395 0.60749476 -0.82574344 H 0.00113797 14.61520637 14.59282255 0.55981520 -0.57182969 -0.07501538 H 3.21851153 12.99783909 12.94373419 -0.34622615 0.05765900 0.00887506 H 4.87445846 14.56008752 12.95146977 -0.17212721 0.35482988 0.25218584 H 4.85028322 12.96943728 14.60513717 0.17969593 0.05383920 0.16006501 Ni 3.26794484 14.60886261 14.63719230 0.35661774 -0.77722708 -1.11643266 H 6.47018108 13.02824635 12.98903379 0.24731326 -0.09221368 0.29676067 Ni 8.11581541 14.62041073 13.03134575 -0.22554336 -0.09347731 0.00700343 H 8.09474003 13.01337065 14.59308514 -0.24339976 0.04397861 -0.06949872 Ni 6.46930181 14.62590158 14.58547190 -0.59037511 -1.29232966 -0.56813756 Ni 9.71617396 12.96495983 12.97584037 0.63245669 -0.47958305 0.31165270 Ni 11.36588177 14.58884332 12.98628099 -0.05882712 0.70964122 -0.75205709 Ni 11.34823116 12.94613714 14.58667886 -0.91065089 0.42004517 1.74392116 H 9.74523126 14.62101336 14.63071687 0.10075927 0.00703590 -0.11004329 Ni 12.98287675 12.96068352 12.99423235 1.32110622 -0.33870968 -2.05650416 Ni 14.62686417 14.60271780 13.00541871 -0.64100655 -0.41565675 -0.53069293 H 14.61428071 13.00957628 14.58563195 -0.14589652 0.24868083 -0.11137894 Ni 12.98611586 14.60063796 14.57701539 0.45856579 0.07430778 0.79986389