256 Lattice="12.956096649169922 0.0 0.0 0.0 12.956096649169922 0.0 0.0 0.0 12.956096649169922" Properties=species:S:1:pos:R:3:forces:R:3 energy=-622.6023037984306 stress="-0.0077358496108472785 0.0017236454199438904 -0.0007770075380443283 0.0017236454199438904 -3.0539596340938667e-06 0.0044066872435657494 -0.0007770075380443283 0.0044066872435657494 -0.006654817762164309" free_energy=-622.6023037984306 pbc="F F F" H 0.02124098 0.01853953 0.02337916 0.92610562 1.12987246 0.00717307 Ni 1.59179475 1.61258611 0.00305177 -0.13044601 -1.05785681 1.34882298 H 1.61192733 0.03930271 1.65485119 0.23297842 0.08496154 -0.07855151 H 0.01757302 1.60400065 1.61281053 0.07458812 0.17254256 -0.60447559 H 3.21628652 0.00294586 0.01928335 -0.58507716 0.75831917 0.13028109 H 4.85124044 1.58813129 0.03184481 -0.24382266 0.37965517 -0.04369014 H 4.84228961 0.00778814 1.58116511 -0.23267096 -0.06471316 0.30779225 H 3.25287503 1.61530487 1.65274746 0.16709220 0.16247997 0.01986152 H 6.50514872 0.01297006 0.02352179 0.77847456 0.30171578 0.29028884 Ni 8.11241100 1.60178583 0.03188429 -0.39479750 0.50573280 0.26530175 Ni 8.12696976 0.02930724 1.60838167 -0.81791691 -0.87369387 0.22359411 H 6.47199235 1.67078757 1.64083525 0.10349540 0.12137209 0.17997040 H 9.70798437 0.00866112 0.06010840 -0.18326595 0.26609235 0.08841489 Ni 11.33419819 1.61348211 0.01386949 -0.64951778 -0.19217955 0.53927816 H 11.34397351 0.02858061 1.59101357 0.08521972 0.30803797 -0.04175041 Ni 9.71712357 1.56722808 1.58747860 0.85556573 0.41215714 0.33960370 Ni 0.02614698 3.24393130 0.01455476 1.19701393 0.25887124 0.46015287 H 1.59805158 4.85851752 0.01134927 -0.11463491 0.11720860 0.14778595 H 1.65997259 3.19607930 1.62283540 0.09573241 0.18579030 -0.33595027 Ni 0.03318479 4.87027125 1.60733365 -0.20696951 -1.53945618 -0.19061348 Ni 3.24676103 3.22647213 0.03275136 -1.02763688 -0.29110907 0.06057729 H 4.84497650 4.84825551 0.00401397 -0.26927459 -0.09460396 -0.07357040 Ni 4.86315608 3.25868012 1.64587986 1.50026066 0.14198779 -1.21594019 Ni 3.24893225 4.86554080 1.60738770 0.77974903 1.06000765 0.00140430 H 6.52631132 3.21383907 0.00131133 0.06411272 -0.25552464 -0.10830225 H 8.05826433 4.85004897 0.04591848 -0.23732149 0.47388841 -0.07212018 H 8.04705867 3.20444495 1.61188467 -0.00366570 -0.34601905 0.13122612 H 6.48788881 4.83134460 1.63918614 0.21380319 0.14998060 0.17610053 H 9.68242987 3.23655937 0.03725966 0.18440704 -0.45723902 -0.03532419 H 11.36320919 4.88468043 0.00085864 0.13359862 0.03585042 0.45061120 Ni 11.30856041 3.26228798 1.62923435 -0.79814848 1.02831758 0.14280191 H 9.68191259 4.82258525 1.60805610 0.09078115 0.14992311 0.04039692 Ni 0.03622843 6.47275084 0.00661198 0.00882649 -0.42892966 -0.28650832 Ni 1.60656515 8.12529218 0.01380358 -0.48650897 0.83495646 -1.18351976 Ni 1.62998223 6.47684716 1.64506439 -0.09108804 1.17557087 0.66657768 H 0.03102457 8.12618036 1.63084538 0.10542860 -0.18844756 -0.24512857 Ni 3.24102697 6.47360783 0.00398549 0.40975011 -1.40521294 -1.27183578 Ni 4.81927516 8.10591339 0.04901487 -0.20724800 0.84501226 -0.51046976 H 4.90424825 6.48815887 1.64231451 0.05945395 0.54792570 -0.25292998 Ni 3.24255898 8.10584798 1.60742341 0.76089469 0.79627667 1.76538823 Ni 6.50989645 6.45602274 0.05257815 -0.99051451 -0.57344033 -0.13328612 H 8.05523855 8.13890717 0.02479212 -0.14199099 0.09763869 0.32839555 Ni 8.07238249 6.44323891 1.59943115 1.75532896 -0.02701047 -0.32379646 Ni 6.47183989 8.12741701 1.63112405 0.29748780 -0.24093309 -0.10644828 H 9.68387862 6.50168421 0.00200427 0.24065839 0.20305043 0.13301942 Ni 11.34599546 8.09222848 0.03961067 0.10674943 0.65656755 -0.23666957 Ni 11.31791338 6.50003049 1.59259421 -0.84842356 -1.02542086 0.52939800 Ni 9.66263334 8.09544832 1.63587351 0.03784557 -0.12136241 1.50849350 H 0.01907031 9.69522573 0.00646314 0.21956653 0.06766904 0.21921959 H 1.59748958 11.33445895 0.00291945 -0.33398000 -0.17495321 0.49904851 Ni 1.60332314 9.68474314 1.61809658 -0.13902225 0.46392941 0.83928086 Ni 0.02210100 11.31228516 1.61280880 0.53810292 -0.53732447 -0.10673359 H 3.23040207 9.74050786 0.04441217 -0.08082341 -0.19653896 -0.04220756 Ni 4.88157528 11.32160938 0.02722877 -0.74272690 -0.80844468 0.64103797 H 4.87189285 9.74814033 1.58877384 0.48869217 -0.05588865 -0.10399346 H 3.22793224 11.32097120 1.64627238 0.11697178 0.22349278 -0.01528763 Ni 6.49651450 9.70595972 0.02959396 -0.28807230 -1.10978930 -1.89413592 Ni 8.09317147 11.31217449 0.02913836 0.51678717 1.69721113 -1.52930106 Ni 8.11697383 9.71047175 1.61263086 0.84004863 -1.77339703 1.50272177 Ni 6.50472321 11.33011937 1.59232929 -1.15771151 2.02303645 0.32684144 Ni 9.70038198 9.69559645 0.02958905 0.37321232 -0.58869508 -1.59161548 Ni 11.35284979 11.30738292 0.03535995 -0.41399105 -0.71403708 0.15376286 H 11.33349604 9.73333653 1.59638187 -0.06916964 0.10205119 -0.51650224 Ni 9.73516179 11.31248281 1.63393976 1.27157566 0.30344626 1.19289457 H 0.00613674 0.02924472 3.21898621 0.27492842 0.24130106 0.68350269 H 1.66955260 1.63690574 3.24652965 0.22552236 -0.32853784 0.48804916 Ni 1.64711782 0.03273955 4.85162243 -0.49551008 -0.08532776 0.80498607 Ni 0.01051393 1.59951418 4.90182221 1.20219686 0.54004497 -0.15712605 Ni 3.21988916 0.02446830 3.25102178 -0.68474155 -0.09649089 -2.09132033 Ni 4.85161194 1.64645766 3.23931803 1.48233955 -1.12632200 -0.70332524 Ni 4.88221525 0.01808028 4.83141772 0.93573870 -0.22013140 0.68825743 Ni 3.24127195 1.63178674 4.82700858 -1.05932921 1.67454098 2.53907574 H 6.48500850 0.02027046 3.18300164 0.15829271 -0.11452794 0.08551791 Ni 8.13533972 1.62059533 3.21981840 -0.35222164 -0.01491871 -0.83608487 Ni 8.09627978 0.02050343 4.86027633 -0.43976353 0.09124224 -0.11132806 H 6.44969579 1.60293392 4.88103100 0.12390862 -0.31585275 -0.23482351 H 9.76558443 0.01510818 3.22696184 -0.23424166 0.26210593 -0.01098178 Ni 11.35065203 1.58011263 3.24704980 -0.54515346 -0.19585413 0.15395260 H 11.33879932 0.00616446 4.85170372 0.05503892 0.39073360 0.02963261 Ni 9.72984899 1.59956026 4.88540295 0.57546273 0.49150219 0.57469108 H 0.01449612 3.25441924 3.22557828 -0.25989972 0.19390294 0.10689508 Ni 1.65183959 4.85535635 3.25873856 -0.51170798 -0.68561693 0.65210708 H 1.61530767 3.21766291 4.88823296 -0.08563316 0.28475558 0.02441154 Ni 0.04962813 4.88188705 4.87838819 -0.40160249 -0.17460404 0.45215264 Ni 3.24416960 3.26738428 3.23704989 -0.77019034 -1.32392470 -0.14342120 H 4.86597856 4.89828886 3.21574330 -0.04608621 -0.18267359 0.17251451 H 4.85561711 3.27902693 4.85203193 -0.19543128 -0.00526811 -0.46000798 Ni 3.23343247 4.86138932 4.84471780 0.73944682 0.12046206 0.93521670 Ni 6.49563513 3.18077899 3.25614226 -0.97783655 0.35454693 -0.86708752 Ni 8.09480314 4.89971256 3.25885070 1.76145071 -0.21977633 -1.37645027 Ni 8.07717909 3.20795222 4.87605667 0.55724516 -2.05301180 1.92542306 Ni 6.50776762 4.85860927 4.86537860 -1.93980304 0.30423294 1.50849823 H 9.75181039 3.25416528 3.28582318 -0.05702284 -0.25798712 0.17724954 H 11.33988222 4.86235842 3.22137256 0.18352371 0.01769458 -0.20899070 H 11.32465860 3.27497188 4.82618976 0.10990911 -0.25516357 0.03248068 Ni 9.71057739 4.81794076 4.82844835 1.55574755 -0.14707938 -0.37960276 Ni 0.02237727 6.45055462 3.28758577 -0.37050745 1.44073030 -0.35376743 H 1.57861338 8.08694595 3.28011044 -0.28414563 0.06587055 -0.07597605 H 1.65138189 6.49400479 4.87643440 -0.40742635 -0.37334882 -0.02359520 Ni 0.01408578 8.10243969 4.82311831 -0.25799098 -1.00188714 -0.32443591 H 3.27074298 6.42088666 3.22895947 -0.04401447 -0.21294066 -0.09123686 Ni 4.86197145 8.10145530 3.21178116 -3.14587109 0.12775721 -0.90380874 Ni 4.85247881 6.47216560 4.88415657 -1.83192046 -0.78971153 0.82124926 H 3.19583731 8.10860644 4.83116639 0.25200522 0.37271003 0.33358395 Ni 6.44499278 6.45566619 3.23177851 -0.03166698 -0.93470104 -1.32667739 H 8.06160702 8.06493220 3.24622930 -0.22988487 -0.03366021 -0.34892920 H 8.11812653 6.51839145 4.87589870 0.12235180 -0.12646176 0.23176317 Ni 6.45235834 8.09990838 4.83579490 3.25815841 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4.84156888 3.27113563 8.09456873 2.16201090 -0.63276482 -2.96377953 Ni 3.25502782 4.83827142 8.11071935 0.26147398 1.64591253 -1.79993624 H 6.47057784 3.23376329 6.50927531 0.25629080 0.30811216 0.00913927 Ni 8.07293889 4.86390101 6.50382205 -1.25960335 1.17399863 0.70267123 Ni 8.11902156 3.21014193 8.12567491 -1.75884472 -0.61978286 -3.36082636 H 6.42891913 4.86687770 8.06277417 0.12243032 -0.41730353 0.21077613 H 9.67706866 3.21633259 6.50004418 -0.26709074 -0.04253461 -0.00424687 H 11.29119651 4.85071479 6.44216469 -0.04251814 0.14882455 -0.05651480 H 11.34271103 3.20412172 8.09158593 -0.03785024 -0.23727083 0.26738066 Ni 9.73918887 4.83896317 8.08199561 1.69811645 0.51519534 -0.61980363 H 0.00539013 6.46958636 6.52757624 0.17552153 -0.04456823 0.17465493 Ni 1.61141554 8.08604929 6.48659689 0.73122041 -1.65112076 -1.05558039 Ni 1.58925067 6.47741077 8.08842617 1.05055788 0.99861312 0.40189187 Ni 0.02062180 8.10000653 8.14035126 -0.40666407 0.56437248 0.13119544 H 3.27369171 6.45849399 6.50494894 -0.12827504 -0.03367816 0.13509178 Ni 4.83933084 8.10194824 6.50323848 -0.89982064 -2.21758747 0.64324697 H 4.87646367 6.47202257 8.14385409 -0.12441717 0.38237131 0.13836673 Ni 3.24336340 8.05514923 8.11101815 -0.37052834 -0.14893788 1.86953185 H 6.49355194 6.51786462 6.43815833 -0.02792147 0.32235136 -0.27372965 Ni 8.08823208 8.05666274 6.43501369 0.04716877 -0.13795029 0.20023287 H 8.09983908 6.46369651 8.13602137 0.28841013 -0.00962542 -0.29786614 Ni 6.45045310 8.09365579 8.07346838 1.07773932 -1.58150653 1.24211075 Ni 9.71627128 6.48471167 6.44873302 0.56374866 -0.80964689 0.18045280 Ni 11.36651935 8.05997296 6.46014855 0.68697123 -0.02242051 0.20681728 H 11.30684658 6.52067682 8.04037110 -0.06092726 0.02578977 -0.14263549 Ni 9.73700236 8.13144304 8.12717724 -1.13786991 0.03849523 1.55867773 Ni 0.00865475 9.71559097 6.45758780 -1.02862295 1.01210176 1.43023724 Ni 1.60352153 11.33744015 6.50574140 -0.00428159 -0.04181440 1.08958614 H 1.61495472 9.66231170 8.07396187 -0.20801445 -0.08009091 -0.30172294 H 0.00832690 11.30981622 8.06103790 0.10907203 -0.01133265 0.03170642 Ni 3.25148100 9.69926900 6.46666160 -0.14212918 1.55730882 1.04772559 H 4.86037031 11.33304422 6.43427131 0.03592796 -0.06161012 -0.08338940 H 4.87989973 9.74690058 8.12657803 0.23310664 -0.54103193 -0.09629634 H 3.23694245 11.33987885 8.12181750 -0.38048565 0.21756932 -0.08440355 Ni 6.44857861 9.68838966 6.48957248 1.03560921 2.82562508 0.77703627 H 8.07783827 11.31021672 6.45727024 0.03294970 0.06906944 0.26126603 H 8.11141173 9.74640247 8.11157882 -0.10319106 -0.11739951 -0.14643550 H 6.45435874 11.30267418 8.13017712 -0.00861857 -0.11126407 0.01517270 H 9.73514495 9.69291965 6.52086018 0.41625427 -0.35626972 0.20318220 H 11.31870249 11.31058668 6.44624810 0.00563678 -0.16084634 0.13466961 Ni 11.29903325 9.71922074 8.09820892 0.02413465 0.63031218 -0.18705813 Ni 9.66957510 11.35432712 8.09150259 -0.27894222 -1.61104781 0.12278314 Ni 0.00113073 0.02208951 9.73853422 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