108 Lattice="9.54271312289488 0.0 0.0 0.0 9.54271312289488 0.0 0.0 0.0 9.54271312289488" Properties=species:S:1:pos:R:3:forces:R:3 energy=-246.3719091618909 stress="2.6049962406569525e-05 0.0035694354510871075 0.0014842899513422198 0.0035694354510871075 -0.0002445083705450459 0.010240494281204087 0.0014842899513422198 0.010240494281204087 -0.007817425697391966" pbc="F F F" H 0.00632198 0.01845201 0.00500193 0.71531487 0.33501722 0.77570289 H 1.58462505 1.61828749 0.00340751 0.09595769 -0.14765822 -0.06470511 H 1.59807283 0.03602785 1.59309128 -0.17529294 -0.20947309 -0.07624447 H 0.03172290 1.60580701 1.61615865 -0.00374760 -0.18316911 0.13322717 Ni 3.16801643 0.00793339 0.00168757 -0.87784920 0.65230422 0.73979014 Ni 4.77592440 1.60384921 0.03016650 -1.12216316 0.55759301 -0.33775109 Ni 4.77827318 0.00877264 1.59908266 -1.25642203 -1.56131408 -0.27220983 H 3.14817270 1.58260906 1.58776507 0.14169559 -0.22828759 -0.15713285 H 6.31332750 0.01322712 0.01264878 -0.27074574 0.09982721 0.09064497 H 7.95110201 1.59331524 0.03671397 -0.37829410 0.27323015 0.09397248 H 7.95233253 0.01370022 1.56234676 -0.36526007 0.10329722 0.26735610 Ni 6.33462614 1.58772382 1.60518843 2.51111051 1.06510821 -0.10033418 H 0.04229620 3.18542806 0.01717252 0.17817656 0.34167790 0.15287398 Ni 1.58422978 4.76464172 0.05467467 0.88479000 0.17933010 -0.48249681 Ni 1.60739277 3.19936441 1.54469209 1.17143873 -1.97959874 0.09081914 Ni 0.00678131 4.80279938 1.60686147 -1.34698996 0.62806808 0.77011590 H 3.17341746 3.17644434 0.00657083 -0.21310409 -0.01434321 -0.20640422 H 4.77599860 4.76746631 0.02236356 -0.01357306 0.15462444 -0.25092278 H 4.75142219 3.15129156 1.60354507 0.41770562 -0.37491834 -0.06200057 H 3.17146046 4.77553653 1.59048003 -0.16807323 0.32659609 0.04552130 Ni 6.39674929 3.17372105 0.02026496 -0.03606734 0.60640854 0.54331409 Ni 7.94581003 4.74896351 0.00696157 -0.31060153 0.56021079 0.64602062 H 7.97977176 3.19153858 1.57102847 0.03594340 0.15909387 -0.22970273 H 6.33631816 4.76887731 1.55342361 0.24819475 0.10025718 -0.09212521 Ni 0.02888169 6.37450197 0.03107717 0.65669812 0.79994057 -0.15168814 H 1.60010625 7.92946941 0.05049399 -0.04690918 -0.02579791 0.01633095 H 1.60507732 6.35664498 1.58442618 -0.10589837 0.03872343 -0.13255828 Ni 0.00664050 7.97768558 1.60823954 0.59317813 -0.93290241 -0.23949925 Ni 3.15632664 6.33500742 0.03120825 -0.91522312 -0.16675275 0.05371047 H 4.77778610 7.92463304 0.03467016 -0.19667376 -0.05255562 0.15467348 Ni 4.76527953 6.33634921 1.57035588 2.51089575 -1.77567986 -1.51247447 Ni 3.18749477 7.93715899 1.56662218 -1.31059844 1.57377726 -1.29896995 H 6.35897394 6.32956291 0.01461617 0.43485994 0.21208609 0.12228184 Ni 7.94183380 7.94332035 0.03070410 0.04345502 -0.54195410 -0.38068676 Ni 7.98303417 6.33714860 1.59272327 -0.43536242 -0.19861967 0.84487296 Ni 6.38455090 7.90988392 1.59003207 -0.18493030 0.22018097 0.20614242 Ni 0.02231845 0.01109844 3.16868745 -0.71351701 -0.74430645 -1.28551162 Ni 1.62220756 1.58582181 3.18304498 0.95554798 0.29064356 -3.85580729 Ni 1.60452933 0.03155425 4.78180307 0.58998189 -2.22053494 0.56170027 Ni 0.01534891 1.60074918 4.74778059 -1.57485903 1.71905599 1.46840018 H 3.16478338 0.03902527 3.17816075 0.03210901 0.14443764 0.13782501 Ni 4.78784784 1.56666941 3.20568163 -0.93893229 2.03488925 0.80077126 H 4.73496134 0.01296021 4.75782066 -0.13135294 0.15537782 0.03786722 Ni 3.18369314 1.59781592 4.73489202 1.34017555 0.18240235 -0.26469505 Ni 6.38386027 0.01078593 3.18200565 0.83377911 -0.73694778 0.92533567 H 7.96325914 1.59662013 3.18580957 0.03495008 -0.43025117 0.00667508 Ni 7.97320898 0.02846322 4.77070214 -0.54827248 0.19720754 0.40514315 H 6.33897568 1.59884768 4.76661979 0.09201310 -0.41274017 0.00212935 H 0.02485326 3.22416863 3.22078267 0.24319517 0.00856171 -0.05858894 Ni 1.58170556 4.81268946 3.16058620 -0.53523677 0.08155628 -1.49578656 Ni 1.61949341 3.18346203 4.76058313 -2.57409051 -0.36617542 0.11244179 H 0.02656098 4.74858166 4.80243664 0.20506730 0.24293934 0.16968881 H 3.14511591 3.19920590 3.14869348 -0.35562591 -0.00816540 0.30327452 Ni 4.75506248 4.74484244 3.17465212 1.02516572 -1.96655329 -1.13098338 H 4.76554940 3.14923625 4.76824601 -0.27117892 -0.02275603 -0.01536767 Ni 3.19769036 4.75624008 4.79944872 3.49418367 0.28439506 0.50796857 H 6.36999306 3.21235969 3.17719793 -0.09986487 0.24189846 0.05261956 Ni 7.93695033 4.74273408 3.19559697 -0.64536724 -0.77852433 -1.27129671 H 7.97215959 3.22131678 4.74716488 0.16935543 0.20676244 -0.02572155 Ni 6.36546624 4.76621382 4.77342381 -1.12013294 -0.41385297 1.56144058 H 0.03493553 6.38609930 3.19328359 0.10497790 0.08238902 -0.18788653 Ni 1.56084118 7.94200085 3.15514895 -0.38086078 0.14254150 0.03434934 Ni 1.60752654 6.39112115 4.76274365 -0.98707711 1.97451780 1.09767623 H 0.00975827 7.91898354 4.74049579 0.10369760 -0.06783205 0.01428106 Ni 3.22492839 6.38510582 3.18278015 -0.53898888 -0.01269158 -0.22161775 Ni 4.77746977 7.97491064 3.19071806 0.97919536 0.27616700 1.80933537 H 4.79188393 6.33316540 4.78724603 -0.09594529 -0.27774615 -0.39834692 H 3.21693518 7.94096214 4.73731560 -0.08089262 0.12426661 -0.33347214 H 6.37959263 6.37540565 3.18281758 0.09872191 -0.17701905 -0.14827617 H 7.96461826 7.94926830 3.17596674 0.10929110 -0.05374249 -0.13925871 Ni 7.96376616 6.38007494 4.77757973 -0.59107241 0.74050853 -0.30771542 H 6.35778308 7.96079352 4.74619153 0.15534600 0.20520675 0.07616201 Ni 0.01968756 0.02998636 6.34469344 -0.46493499 -0.50462670 -0.11431831 H 1.61094993 1.59257439 6.38361161 -0.08040200 -0.31797362 -0.05113330 Ni 1.59241058 0.00912557 7.92348649 0.60401222 0.58617491 0.17137352 Ni 0.00590407 1.58835753 7.96957943 -0.21714833 1.01152328 -0.63320186 Ni 3.16877325 0.01682102 6.36746898 0.28008824 -0.11896987 0.81847549 Ni 4.79115615 1.60386805 6.31446704 2.18905952 0.14846432 -0.15810791 H 4.71771930 0.01190477 7.96275096 0.01155236 0.10592626 -0.13135322 H 3.12967306 1.59605279 7.97247261 -0.16147300 -0.09285333 -0.06331309 H 6.38975317 0.02477160 6.33246365 0.43571868 0.19372021 0.23246648 Ni 7.94613487 1.58675355 6.33403102 -0.66723969 0.89908955 -0.42092664 Ni 7.95924825 0.03621544 7.97041633 0.01990312 -0.29959000 -0.61679827 Ni 6.38953578 1.58118161 7.96189299 -0.60120359 0.86167610 0.05890297 H 0.01167866 3.18177076 6.33769416 0.09454858 -0.00223042 0.22966936 Ni 1.56396751 4.78509077 6.32777973 -1.04340634 0.75279692 0.85367166 Ni 1.60705942 3.17362778 7.94107965 -0.50889087 -2.11591241 0.50272706 Ni 0.01606808 4.79088218 7.94795769 -0.39671216 -0.12706068 0.91761112 Ni 3.18734416 3.20005785 6.39090171 2.12382964 -1.83206581 1.10783778 H 4.74069763 4.75853325 6.36305150 -0.06672916 -0.09688465 0.14234385 H 4.75865837 3.14161524 7.96279741 0.11657809 0.04083117 0.05474406 Ni 3.20553390 4.77722740 7.97004122 1.13491049 1.73419844 0.29882468 H 6.32190130 3.22614806 6.32289827 0.08779410 -0.06511662 0.23364964 H 7.95532671 4.72928774 6.35892348 -0.07742279 0.17865616 -0.08066665 H 7.95543807 3.17930341 7.93635937 -0.22628782 -0.13883683 0.02130465 Ni 6.38117885 4.74794602 7.93109063 -0.42602950 0.01985062 -1.58395356 Ni 0.01295586 6.33512211 6.36831773 -0.76735745 1.17700296 -0.40409906 H 1.61869441 7.96272178 6.37758808 -0.30734906 0.03674950 0.16398525 H 1.60944176 6.32300806 7.93168947 -0.29689727 -0.14586864 0.05238516 Ni 0.00858791 7.93061138 7.94916924 0.74250212 -0.77810737 -0.17543319 H 3.15697794 6.36706057 6.37716760 -0.18553685 -0.22770291 0.03912158 H 4.72904435 7.97645251 6.30375644 0.32793617 0.02848099 0.32855288 H 4.76624181 6.36685676 7.92990964 0.14983348 -0.06335173 0.28312083 H 3.21564989 7.96342111 7.96538131 -0.13818650 -0.57053953 -0.27400172 H 6.34904852 6.35981141 6.35827274 0.37561253 0.06831059 0.11171711 Ni 7.97408805 7.92234415 6.39890685 -0.65310278 -0.59770107 0.25868859 H 7.97703645 6.33388702 7.96516831 -0.26132276 0.23139325 -0.02185437 Ni 6.37762529 7.94948983 7.96723812 -0.43536737 -1.21966624 -0.79622935