108 Lattice="9.518109036421992 0.0 0.0 0.0 9.518109036421992 0.0 0.0 0.0 9.518109036421992" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.2615708516923 stress="0.36866132064755597 10.558545896760771 -1.5295093338242367 10.558545896760771 -3.8600404319239843 3.0593585937579104 -1.5295093338242367 3.0593585937579104 5.015878905898514" pbc="F F F" Ni 0.01597726 0.02959545 -0.02206894 -0.05059254 -0.00156421 0.45450070 Ni 1.58188137 1.60870121 0.02974322 1.95476979 -0.66986651 0.44224918 H 1.59980361 0.00098280 1.59525276 -0.37024436 0.13081489 0.10553754 Ni 0.01058618 1.61382420 1.56498052 -0.79978151 0.35610035 1.03797649 H 3.15064795 -0.00557334 0.01699479 0.02778335 0.21111113 -0.23565874 Ni 4.78315519 1.58236636 -0.02405615 0.90875219 -0.65081103 0.96903782 H 4.75197028 0.00835788 1.59760312 0.04823159 -0.12920450 0.18773146 H 3.20173447 1.59054824 1.56652414 0.18783482 0.30590578 0.04054920 H 6.34409937 -0.03000436 0.01810592 0.03164232 0.51183251 -0.12994193 Ni 7.93971397 1.55471645 0.02629151 -1.57665098 0.12207539 0.83748761 H 7.94528691 -0.00284901 1.57848754 -0.16744920 0.19358837 -0.04765299 H 6.32702971 1.56918262 1.57552713 -0.06165984 0.21049879 0.06318515 Ni -0.03024020 3.14444746 -0.00998170 0.46981182 0.73044060 0.10832155 H 1.61078695 4.79275700 -0.00815520 0.07290843 -0.23837253 -0.16067912 H 1.62508948 3.20248842 1.55184733 0.10274858 -0.29001625 -0.30631789 H 0.01452983 4.71191204 1.58919944 -0.32039148 0.04271440 -0.06661283 Ni 3.18006278 3.16875707 0.01122125 -1.94921661 -0.43120134 -0.37497662 Ni 4.75535995 4.74643324 0.00833619 1.60899187 0.71804809 -0.47855488 Ni 4.78860708 3.20468451 1.61098094 2.15605301 0.03560875 -1.07279247 Ni 3.16579847 4.78814090 1.61348659 -1.47987957 2.67905280 0.98801632 H 6.37595493 3.14960718 0.03446530 0.11377679 -0.09870900 -0.02597736 Ni 7.93587732 4.75654485 0.05010836 -0.62976191 -0.80472339 -0.37039517 Ni 7.93687940 3.19370019 1.59054346 -0.39143473 -0.78193391 -0.29471550 H 6.32475350 4.78773209 1.53916368 0.46376724 0.10577359 -0.11210369 H -0.01768735 6.32804956 -0.02728845 0.02776798 0.47310012 0.66502524 H 1.56985075 7.93280516 -0.02496692 -0.02722861 0.09449193 0.60679491 H 1.59312039 6.34935602 1.60162252 -0.12696140 0.40494055 0.25550414 Ni -0.02191026 7.92209524 1.60160147 0.93724781 -0.64067748 -0.94977096 H 3.15132260 6.35504869 0.00604701 0.12531850 -0.06558121 0.03239803 H 4.75387542 7.90545330 -0.01207939 0.00997982 -0.08945068 0.07535432 H 4.79245595 6.32265000 1.57670672 -0.02956732 0.08442120 -0.09098827 Ni 3.15808554 7.92912093 1.57662166 -0.39419528 -1.33420166 -0.76214378 Ni 6.31638066 6.34404478 0.00904131 -0.56001095 0.91979775 1.05621176 H 7.93874709 7.95740038 -0.02547113 -0.28750338 -0.69394796 0.31071239 Ni 7.93245601 6.36566252 1.60076921 0.39820920 1.04840953 -0.42131572 H 6.30939805 7.93161965 1.59129346 0.05759336 -0.12865316 0.07873953 Ni -0.01470989 0.00587992 3.18134685 0.15460980 -1.25421302 -0.15298974 Ni 1.59752158 1.56427707 3.19210874 -0.42787880 0.88237750 -1.30725846 H 1.56364679 -0.01136937 4.76472203 -0.27659008 0.33629203 -0.22494472 Ni -0.02368534 1.59904679 4.76750097 -0.69703670 0.47777289 -0.63219763 Ni 3.16367278 0.00790665 3.15135211 -0.88498808 -1.45090017 -2.08464405 Ni 4.78002667 1.60826990 3.18493089 1.31680809 -2.01251861 -2.33800579 Ni 4.72969390 -0.01101312 4.73747770 1.01419094 -2.43511082 1.28628503 Ni 3.20299199 1.54984986 4.77603084 -3.10275467 0.24166255 2.31550855 Ni 6.37369586 0.02717180 3.13544813 1.04254991 1.06747094 -0.24325984 H 7.92445693 1.54136177 3.18055998 0.08775924 0.16136497 -0.05719571 H 7.95504757 0.01860615 4.75862143 -0.05165644 -0.10484886 0.18702681 H 6.37562828 1.58116107 4.77506858 -0.20652501 0.11979401 0.25704057 H 0.04328689 3.14625989 3.17076764 -0.26191659 -0.41488832 -0.01801663 H 1.53910180 4.72641724 3.22917707 0.19052518 0.10406971 -0.03507496 H 1.60704117 3.17737146 4.77037775 0.08167178 -0.49093334 -0.03057864 H 0.00597904 4.72289411 4.77642617 -0.41974863 0.22124226 0.08853336 Ni 3.18291084 3.14796340 3.16179881 -2.71952892 1.06117526 -1.51718279 H 4.75972047 4.76842288 3.12584799 -0.23925301 -0.50246869 -0.00855403 Ni 4.73589219 3.20285773 4.73539090 1.99621343 1.09945976 0.64537219 Ni 3.19685037 4.77427061 4.74585540 -2.31094132 1.39006864 -0.81480650 Ni 6.33092036 3.16540479 3.14911405 0.95683118 0.41842391 0.49309041 Ni 7.91204344 4.79015138 3.17254040 0.56908936 0.67205476 0.44229202 Ni 7.93977907 3.20937823 4.75123084 0.21163317 -0.24860267 -0.03946406 H 6.35805090 4.77881518 4.75974083 0.11298491 -0.50764503 -0.12678442 Ni -0.00918982 6.33836768 3.17633616 0.98797350 -0.52747274 0.66671348 Ni 1.60038013 7.92908008 3.19784343 -0.06742266 -0.46040091 0.67568217 H 1.58967365 6.34367936 4.75396432 0.08885161 0.41539098 0.14496861 H -0.00336150 7.93287550 4.75345734 0.02873814 -0.10111374 0.00498156 H 3.16304125 6.35092145 3.16244702 -0.01465393 0.43542217 -0.07678665 Ni 4.73242235 7.94135786 3.16998259 0.00927470 -0.47674932 -0.51361238 H 4.74944550 6.35322618 4.79677984 -0.15620034 0.26984495 0.04167327 Ni 3.20379301 7.95539898 4.77147405 0.83679440 -0.34164678 -0.40616388 Ni 6.34347547 6.35784315 3.14088956 -1.68701850 -1.25441498 -0.05431793 H 7.89402938 7.93220659 3.14091226 -0.12057672 -0.11987910 0.03795059 H 7.92557778 6.31100091 4.72404832 -0.03241434 0.16373158 -0.21386179 Ni 6.35938284 7.90350403 4.77933750 0.62296780 -0.76297922 2.27999296 Ni -0.00355339 0.00084254 6.33740419 -0.71484643 -1.21863035 -1.03624219 Ni 1.60213981 1.60144144 6.35518512 2.86308403 -0.13210603 -1.27800524 Ni 1.58946357 0.01072361 7.93527892 1.70654861 -0.49622373 0.57814318 Ni -0.00357528 1.56188705 7.96159189 -1.77257609 0.46508346 1.36603923 H 3.16834281 0.00156527 6.32717220 0.20608204 0.14591550 0.12765505 Ni 4.75455760 1.60990615 6.32917074 -0.43823980 0.97661644 2.04969109 Ni 4.77612443 0.04039093 7.88997422 -1.02044098 -0.06736678 0.30718594 H 3.14259664 1.63387782 7.95071381 -0.15143875 -0.24037103 0.09315371 Ni 6.34253434 -0.02010969 6.32695141 1.56735792 -0.09558668 -0.54269365 Ni 7.94720710 1.56936779 6.31721116 -0.34219110 -0.69401973 0.29204098 H 7.94825340 0.05277289 7.90481789 -0.23311562 0.24059675 -0.57870173 H 6.36805613 1.55536754 7.93545745 -0.10045303 -0.21082388 -0.24154401 Ni -0.02320563 3.17050944 6.33279681 -0.53794026 1.80739209 -1.07803878 H 1.60854055 4.76127332 6.34622319 -0.06654715 0.23996865 0.61697001 Ni 1.59973580 3.16419737 7.91336150 1.59795200 0.42629267 0.62935425 Ni 0.01923810 4.77229271 7.94746738 -0.30343330 -0.34527978 0.55243043 H 3.17579520 3.16478721 6.36804932 0.18705412 0.05264288 -0.08879018 Ni 4.76448691 4.75356904 6.34226591 2.11036925 0.98760527 0.95635175 H 4.75326716 3.17225938 7.94792529 0.07350048 0.24723464 -0.01756030 Ni 3.17566190 4.76725188 7.95854926 0.18397588 -0.86504658 -0.05169770 Ni 6.37068307 3.16089580 6.32918884 0.91257005 0.78070692 1.22587308 H 7.95707349 4.81480885 6.34768432 0.05389235 -0.20857321 0.05600835 H 7.89293214 3.17990202 7.90620637 -0.16209991 -0.28105844 -0.46700985 H 6.38113537 4.80251792 7.92044985 -0.02134457 -0.03571038 -0.33278201 Ni 0.04249990 6.32693279 6.32076773 0.11288440 -0.59477373 -1.73141647 Ni 1.59526882 7.92119209 6.33734712 -0.77298625 1.14688640 -0.50668666 Ni 1.60530190 6.35634745 7.94060231 -0.05314632 0.25588698 1.25468729 H -0.00229165 7.94160464 7.94488153 0.28635713 -0.25786579 -0.28195174 Ni 3.19292201 6.34981476 6.31479282 0.50772292 0.72095620 0.15571109 H 4.74576836 7.96027466 6.35617937 0.09702201 0.19621593 -0.14291981 H 4.71571331 6.35101959 7.94783281 -0.12668428 -0.22050670 -0.01129899 H 3.20050545 7.91492737 7.93063792 -0.34770038 -0.07026310 -0.07598278 H 6.35638435 6.34026381 6.38910391 0.17337586 0.29795512 0.25449210 H 7.95939733 7.95726306 6.35911118 -1.27688834 -0.30170663 -0.82604713 H 7.90160655 6.33795795 7.92956398 -1.16198655 -0.22011682 -1.12549788 H 6.34872110 7.93225006 7.93590503 -0.14871112 -0.83257075 -1.18706682