126 Lattice="27.1361 0.0 0.0 0.0 27.2512 0.0 0.0 0.0 21.1177" Properties=species:S:1:pos:R:3:forces:R:3 energy=-818.3927800885089 dipole="-0.36211970461016624 0.32226113312606547 0.39155271777926415" magmom=0.0 pbc="F F F" C 11.46319440 19.28616936 10.47653497 0.02689849 -0.00564330 -0.00955345 C 11.05498272 17.89331562 10.52678726 0.01808715 0.00293214 0.00450597 C 9.70702084 17.46337569 10.58619670 0.01664316 0.00987792 0.00641108 H 7.03132442 13.63214638 10.61275140 0.01320314 -0.01720693 -0.00434009 H 17.31848882 16.40470651 10.27772682 -0.00281511 0.00134777 -0.00088185 H 17.31353586 13.65970253 10.45134875 0.01804705 0.02806068 0.00440566 H 13.50008661 20.18241321 10.41782061 0.02562780 -0.00917732 -0.00657986 H 10.77440312 20.14458009 10.44121615 -0.01810089 0.01927215 0.02124444 H 7.03575649 16.36322310 10.64367326 -0.01737592 0.00207269 -0.00108382 H 13.57936548 9.88973732 10.44828189 -0.01270400 0.00035515 0.01381543 H 10.83182457 9.86788198 10.27936555 0.03060616 0.01791122 0.01655396 C 12.88409102 10.74530381 10.45977936 0.01163895 0.00416773 -0.00559256 C 13.28776765 12.13733595 10.54057654 0.00379433 -0.01595971 -0.00707548 C 14.64005610 12.58112620 10.63062299 -0.01087971 -0.01419050 -0.02514321 C 11.50828643 10.73369719 10.37499470 0.00029214 0.00946918 0.02049385 C 11.07944399 12.12138112 10.43113245 -0.01132599 0.00085703 -0.01676060 C 12.83984463 19.30266393 10.46330657 0.02108745 -0.02057086 0.01806405 C 9.73132894 12.54038238 10.49590834 -0.02501251 0.00432570 -0.01308351 C 16.45540097 15.72766647 10.38301315 0.00204805 0.00876594 0.01219653 C 13.27593801 17.91739092 10.50077097 0.00564054 -0.03119988 -0.02446560 C 15.06506489 16.14883659 10.44200637 0.01048043 -0.01850988 0.01755960 C 16.45583333 14.35217980 10.46779269 -0.00150725 -0.00989804 0.01644466 C 15.06832610 13.93859284 10.55473018 -0.01403066 -0.02051360 -0.00117223 C 14.63279725 17.49484405 10.47381044 0.02239400 0.00959858 0.02958997 C 7.90232796 15.68311520 10.62527649 0.00404220 0.00264857 -0.01086067 C 9.28930320 16.10989939 10.59758519 0.02169220 0.00896536 -0.01631356 C 7.90305773 14.30522117 10.60868533 0.01527647 -0.00626688 0.00605124 C 9.29465758 13.89017558 10.57133416 0.00459044 0.01426381 -0.02899565 N 12.17435932 17.07032933 10.53579602 -0.01300445 -0.00189382 -0.00101692 N 12.18094185 12.96495332 10.50326460 -0.00819377 -0.02195128 -0.01143298 N 14.23269190 15.03965423 10.52465618 0.00964551 -0.01354353 -0.00681302 N 10.12774206 15.00213167 10.57167188 0.01029099 0.01829935 0.00565280 Zn 12.17518570 15.02413103 10.54834280 -0.01778925 0.00917783 -0.01282646 N 15.65662502 18.51297254 10.52728399 0.01875355 0.00418302 -0.00966092 C 16.12231925 19.11455725 9.33260752 0.02890708 -0.01448897 0.01548841 C 17.16390719 20.08094276 9.33053188 -0.02549365 0.03062783 0.01901503 C 15.58217974 18.73540386 8.07559048 -0.02267604 0.00213242 0.03788970 C 17.57101062 20.69484324 8.13387705 0.00196197 0.01571812 0.02026657 H 17.64516226 20.36817031 10.28349085 0.02733137 -0.00523677 -0.02853063 C 16.01547217 19.35008659 6.88995301 -0.02742549 -0.02638839 0.00395157 H 14.80766300 17.94776534 8.03765965 -0.02488884 0.00984157 -0.03688861 C 16.99625562 20.36591072 6.88537826 -0.01943847 -0.00871904 0.02012357 H 18.36610465 21.46650831 8.18150272 0.00165175 -0.01478572 -0.01015470 H 15.56117270 19.02657940 5.93279492 -0.01991580 0.00836257 -0.02281598 C 15.99736244 19.00348590 11.83384246 -0.02730545 0.01239249 0.01107072 C 16.40224082 18.09479035 12.84016333 0.00144942 -0.00745783 0.00285129 C 15.89699217 20.37395463 12.17472878 0.02716440 -0.02036740 0.01754459 C 16.70422738 18.54182900 14.13582101 -0.00569661 0.00644045 0.00030411 H 16.48752488 17.01962426 12.59618979 -0.00964646 -0.01148783 0.01426750 C 16.21290014 20.81114934 13.47353650 -0.00332978 -0.00510885 -0.00209257 H 15.56807766 21.10428023 11.41143366 0.00140910 0.01833303 -0.00409289 C 16.62024786 19.90895664 14.48376695 0.00459878 0.00556667 0.00255453 H 17.02529916 17.80112429 14.89586060 -0.01433205 0.02379300 0.00193093 H 16.12008573 21.88831154 13.71955402 -0.00157927 0.00330439 -0.02103435 C 16.97241537 20.38911903 15.87541985 -0.00545326 -0.00676980 -0.01456749 H 16.60585836 19.68727540 16.65915768 0.00590596 0.00150347 -0.03045871 H 18.07699914 20.47590051 16.00821830 0.00984673 -0.00363389 -0.01177241 H 16.53597773 21.39099001 16.08253598 -0.00686954 0.01244399 -0.00310466 C 17.36726183 21.10436980 5.61864869 0.01165605 -0.02738559 0.01402353 H 18.40208671 21.50901597 5.66692716 0.03297374 0.00970917 0.00905475 H 17.29634429 20.45071719 4.72028085 -0.00172625 -0.02209567 -0.00496585 H 16.68507927 21.97101091 5.44337367 0.00562080 -0.00473394 -0.00411599 C 8.64319667 18.52994199 10.55240406 -0.00010318 0.01304053 -0.00922519 C 8.06961525 19.17449039 11.68316928 -0.01409959 -0.00403993 -0.01514250 C 8.20471303 18.94229016 9.25201288 0.00776313 -0.01097841 0.00275166 C 7.08807281 20.18632664 11.50022441 0.00334453 0.02105461 -0.01544855 O 8.34398147 18.96492091 13.01524537 0.00505140 -0.02894418 -0.00357163 C 7.22894550 19.93985949 9.07476602 0.00433348 -0.01270036 0.00229839 O 8.82912897 18.28587501 8.21037248 0.00586644 -0.00795494 0.03848931 C 6.68155585 20.55809396 10.21811613 -0.02289846 -0.03631232 -0.00932306 H 6.67244071 20.66940060 12.40363959 -0.00887721 -0.00766815 0.00824919 H 6.89521098 20.22974834 8.06424203 -0.00540500 0.02561010 0.00313431 H 5.91422666 21.34529164 10.09308043 -0.01213566 0.01814338 0.01324976 C 8.46325066 18.68051181 6.88621806 -0.01784623 0.02136476 -0.02600768 C 9.26192595 17.95753043 13.46027783 0.00516175 0.00446137 -0.00152367 H 9.10042105 18.07991770 6.20180184 -0.01018478 0.00236674 0.01881102 H 8.65220799 19.76720591 6.70748440 0.02267466 -0.00109441 -0.00015765 H 7.38794360 18.46530381 6.67105625 0.00261027 -0.00819086 0.00378248 H 9.27316238 18.05811821 14.56683678 0.00321391 -0.02325056 0.01543526 H 10.28926599 18.12416393 13.06640103 0.02481539 -0.00262696 0.01105567 H 8.92266274 16.93270517 13.18508401 -0.00742438 -0.00609577 0.00070456 N 8.72599647 11.50595974 10.55192313 -0.02254817 0.01128429 0.00405493 C 8.11092353 11.04211427 9.36096063 0.00762692 0.03538041 0.00082657 C 7.24010071 9.92161746 9.35270929 -0.00336339 -0.00196390 0.01412354 C 8.37182638 11.67518215 8.11747986 0.01962277 0.04458203 -0.00199808 C 6.61022410 9.50870140 8.16615247 -0.00210182 -0.01208748 0.03007071 H 7.04416303 9.37544328 10.29277209 -0.00573985 -0.02728965 -0.00097433 C 7.75243786 11.23184819 6.93857529 -0.01294741 0.01300772 -0.00342829 H 9.06752374 12.53343151 8.08210174 0.00479827 0.01450381 -0.02414532 C 6.83525604 10.15622853 6.93145258 -0.00588502 0.03840297 -0.00086775 H 5.91270682 8.64777011 8.20997978 0.02016766 -0.00647782 -0.00812652 H 7.97708715 11.75839250 5.98884022 0.01278546 0.01657248 0.00815596 C 8.22663873 11.19654438 11.85826930 -0.02685402 0.00792830 0.00468439 C 9.13365213 10.96931528 12.91987078 -0.00866504 -0.00988733 -0.00061797 C 6.83956295 11.15601192 12.14476881 -0.01959061 0.01169326 0.00341675 C 8.66549077 10.67997443 14.21229328 0.02468386 -0.00036470 0.00713102 H 10.22040470 11.01408062 12.72436552 0.03586969 -0.00872745 0.00083577 C 6.38593901 10.85446028 13.43754705 0.00391105 0.00559064 0.02814691 H 6.10720781 11.36277264 11.34200075 0.00264110 -0.01045350 -0.01702506 C 7.28630944 10.60211611 14.49986846 -0.00496097 0.01236950 0.01111333 H 9.40124852 10.49768688 15.02148577 -0.00746595 0.00310015 -0.00256851 H 5.29518382 10.82878210 13.63283063 -0.02066063 -0.00053752 -0.01169207 C 6.79085582 10.23516073 15.88046429 0.00511208 -0.01323233 0.00711499 H 6.43903650 9.17688765 15.90493719 -0.02550111 -0.01660980 0.02825611 H 7.59513137 10.33357969 16.64372694 -0.00970634 0.01034617 -0.02482854 H 5.93296267 10.86954275 16.20090810 0.00299956 0.01247313 -0.02309089 C 6.10749653 9.74899591 5.66813890 0.01238220 -0.00750869 0.00909719 H 6.80529216 9.62000699 4.80845186 0.01721781 0.00613573 0.01377116 H 5.55934078 8.79028945 5.80434771 0.01530391 0.00229158 0.01350599 H 5.35658675 10.51652749 5.35972159 0.03248236 -0.00953207 0.02470111 C 15.64936359 11.57708173 10.77455317 -0.00182395 -0.01240927 -0.04250774 C 16.51008387 10.70140244 10.91576234 -0.00367787 0.00108883 -0.02972824 C 17.51647428 9.68328883 10.93233156 -0.00094150 -0.01776107 -0.01457548 C 18.02689065 9.15082214 12.14745802 0.01203604 0.00765745 -0.01872535 C 18.01390082 9.18511491 9.69397074 0.00479001 -0.01486668 0.00137502 C 19.01479671 8.15729733 12.12021825 -0.00346245 -0.02663146 0.01314689 H 17.63710709 9.52612075 13.11319214 0.00055107 0.01280567 -0.03368763 C 18.99903864 8.19326278 9.67477254 0.00852035 -0.02348624 0.00653377 H 17.59971440 9.59415144 8.75316474 0.02989800 0.00042445 -0.00979262 C 19.50949941 7.67358629 10.88668459 -0.00819870 -0.02034622 0.02381210 H 19.41098360 7.73998049 13.06375748 0.01723353 0.00184255 0.01571223 H 19.39627178 7.79219073 8.72286834 0.02028896 -0.00822396 -0.00942716 C 20.56682340 6.62360798 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