152 Lattice="30.637900000000002 0.0 0.0 0.0 30.3064 0.0 0.0 0.0 19.3163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-957.5720993457119 dipole="-0.5509471052023042 0.4606427430364668 0.2068007233973953" magmom=0.0 pbc="F F F" C 15.37875460 18.85097027 9.77649257 0.00099077 0.00196262 0.01331912 C 14.94621473 17.46556887 9.68158981 -0.01070718 0.01038597 0.01703657 C 13.58647560 17.04716617 9.63424554 -0.00528075 0.01067901 -0.02301208 H 10.93910975 13.17618068 9.62039167 -0.02290295 -0.00603638 -0.01345186 H 21.22362921 15.95621534 9.64198596 -0.00101488 0.01384469 -0.00758932 H 21.21507771 13.21191558 9.59947721 0.01184317 0.00863679 -0.00928360 H 17.44089806 19.70330862 9.86966578 -0.00979532 0.01304589 -0.01879040 H 14.71246182 19.72351748 9.86164369 -0.00604397 0.00221396 -0.00585733 H 10.90643307 15.88877270 9.43149037 0.00402768 0.02592724 -0.00248799 H 17.44464262 9.45164419 9.52280953 -0.01563112 0.00214668 0.00700395 H 14.70163184 9.43312744 9.60693182 -0.00193384 0.01767788 0.01087665 C 16.75482769 10.30934576 9.58518770 0.00594564 -0.00518621 0.00564041 C 17.16831980 11.69857737 9.62910406 -0.00191142 0.00147674 -0.00834491 C 18.52870259 12.12669231 9.62333738 0.00435262 -0.00267785 -0.00468370 C 15.37834014 10.30304601 9.62664507 -0.01381396 -0.00404955 0.02657690 C 14.95282357 11.69050487 9.70028058 -0.00843819 -0.00264457 -0.02217237 C 16.75602225 18.84417659 9.78693598 -0.00825206 -0.00211556 0.02493579 C 13.60682882 12.11374484 9.76049443 -0.00003099 -0.01179820 -0.01792655 C 20.35586640 15.27729357 9.63939914 -0.01047652 0.00152016 0.00778964 C 17.17032238 17.45668649 9.71169320 0.00104827 -0.00063164 0.01053798 C 18.96437042 15.69864919 9.66275902 -0.00997110 0.00973838 -0.00580554 C 20.35413632 13.90005961 9.61593078 -0.00638451 0.01450200 0.02521859 C 18.96360543 13.48391195 9.62925746 -0.01029396 0.01334896 0.02114351 C 18.52718854 17.04228910 9.69592180 -0.00248262 0.00803668 0.00237763 C 11.78398072 15.24157651 9.57827115 -0.00808413 -0.00834416 -0.02646594 C 13.16399583 15.68802943 9.68190258 0.00797681 0.00147247 0.00855635 C 11.79551665 13.86750874 9.66241687 0.00086681 0.01537922 0.00501367 C 13.18324518 13.46713328 9.77286517 0.00223287 -0.00710197 -0.00377648 N 16.05376101 16.62749822 9.66080315 0.00514001 0.01336479 -0.00091191 N 16.06451280 12.53018493 9.68674448 -0.01300166 0.01144513 -0.00992881 N 18.12988166 14.58613372 9.65567147 -0.02261301 0.00943354 0.01625361 N 14.00628805 14.58724077 9.79910156 0.00162122 0.00238865 -0.02719228 Zn 16.06262700 14.58336373 9.70349479 -0.00039966 -0.00236848 0.01278066 C 19.58333896 18.11531786 9.70510402 -0.00002501 -0.00279320 0.00315476 C 20.09927099 18.60561551 10.92442522 0.01677148 -0.02579738 0.00080640 C 20.07221874 18.62576756 8.48317766 -0.00075178 -0.01018291 0.00647062 C 21.10377657 19.59841374 10.94016679 0.01064191 -0.01265320 -0.00605472 H 19.70603883 18.18642056 11.86949994 -0.00260290 0.00326904 0.00098609 C 21.07968839 19.61367310 8.45835358 -0.00472722 -0.00391986 -0.00497693 H 19.65302928 18.22592605 7.54170788 0.00274346 -0.00495161 0.00367093 C 21.57048994 20.08051777 9.69742753 0.00626729 -0.00629585 -0.00122759 H 22.36260252 20.85448016 9.69613146 -0.00433045 0.01817286 -0.00971957 C 21.68113954 20.18195812 12.24729760 -0.00721884 -0.00154743 -0.00501175 C 21.26512938 21.67202861 12.33932981 -0.00433478 -0.00216784 0.01049467 C 21.15977326 19.44390028 13.49695884 0.00100424 0.00131909 0.00836304 C 23.22670279 20.08104428 12.23352351 -0.00338723 0.00154491 0.00009638 H 21.65472324 22.25547928 11.47481727 0.00030228 0.01178899 0.01945015 H 20.15625179 21.77159928 12.34354026 -0.00147531 0.01111712 0.00336950 H 21.65952655 22.13450441 13.27316115 0.00966364 0.00895455 0.00707788 H 21.42043903 18.36107950 13.47773381 -0.00785445 0.00030852 -0.00288951 H 21.62261856 19.88327965 14.40955715 -0.00397929 0.00799296 0.00331510 H 20.05561045 19.53580438 13.60663204 -0.00300928 -0.01279616 0.00459057 H 23.64974576 20.49391176 13.17777831 0.00106391 0.00029422 0.00506752 H 23.55752719 19.02237385 12.13825877 0.00317604 0.00275928 0.00341628 H 23.67109061 20.65296052 11.38915859 0.00985922 0.00026851 0.00390999 C 21.64490855 20.18911772 7.14197442 0.00131625 0.00406895 0.00161655 C 23.17705489 19.97332831 7.10464505 0.00555870 -0.00168581 -0.00330405 C 21.03740924 19.51436362 5.89596700 -0.01113913 0.00036409 -0.00902611 C 21.33392433 21.70485139 7.07563029 -0.00222865 0.00324075 0.00935657 H 23.68879920 20.47745965 7.95439166 0.00366950 0.00323502 0.00109408 H 23.42527140 18.88927882 7.15230512 0.00901098 -0.00584055 0.01037130 H 23.60439705 20.38447885 6.16147618 0.00186065 0.00729675 -0.00551444 H 19.93628655 19.66378371 5.83836594 -0.01543307 -0.01328156 -0.01165512 H 21.48360966 19.95981802 4.97819208 -0.00091523 0.00508756 -0.00689958 H 21.24469017 18.42073879 5.87176916 -0.00886374 -0.00282085 0.00474650 H 21.74139306 22.14562234 6.13658445 -0.00313399 0.00607955 0.00401304 H 20.23562467 21.88430178 7.09665207 -0.00636141 0.01654785 0.00290376 H 21.78530410 22.25148658 7.93321112 0.00682047 0.01801726 0.00192281 C 12.54648404 18.09953020 9.44249523 0.00215810 0.00287752 -0.03033146 C 11.39126927 18.19549829 10.26000791 -0.00744841 0.00803517 -0.00055562 C 12.66562505 19.02293750 8.37034636 0.01342343 0.00872800 -0.01828020 C 10.38574362 19.13842385 9.99650819 -0.00897746 -0.02960325 -0.01391716 H 11.29137162 17.52455503 11.13476560 -0.00402862 0.01130989 -0.00521253 C 11.67307211 19.97367686 8.10626821 -0.01146903 -0.00791266 -0.00953226 H 13.54608190 18.95860107 7.70298594 -0.00687614 -0.00382569 -0.01258377 C 10.50602295 20.03456994 8.90583168 0.00120286 -0.00612180 0.00391922 H 9.48906643 19.18680502 10.64422405 0.00799659 0.02978759 -0.00454502 H 11.77878332 20.66771467 7.25049152 0.00713374 -0.00917876 -0.00247342 N 9.47371212 20.97185905 8.61158264 0.00279068 0.00614994 -0.00266097 C 9.81319165 22.32633573 8.34089101 -0.02254104 0.01206351 0.00252031 C 10.91794985 22.92887586 8.99674557 0.00921188 0.00404725 -0.01985714 C 9.07615405 23.09765904 7.40584535 0.01329908 -0.00928830 -0.00267077 C 11.29706299 24.24764151 8.69571744 0.00995470 -0.03895570 -0.00552591 H 11.48663365 22.34415349 9.74387114 0.00879990 -0.00337299 0.00396346 C 9.45500269 24.42250810 7.12588841 -0.01848081 -0.00287049 0.01943602 H 8.20921926 22.64317911 6.88829062 0.02518515 0.00175041 0.00280555 C 10.57106491 25.00738031 7.75741088 -0.01696701 -0.02546665 0.01780839 H 12.17360810 24.68481287 9.21220087 -0.01960123 0.02283079 0.00373303 H 8.87096167 25.00430898 6.38705036 -0.01382062 0.00511437 -0.02102792 H 10.86963442 26.04769752 7.52307410 -0.00833072 -0.02907771 0.00017737 C 8.12520406 20.51108382 8.56731649 -0.00740224 0.01779910 0.00868948 C 7.08259112 21.23002315 9.20158061 -0.01251176 0.00575455 -0.04224291 C 7.81795175 19.30748816 7.88741467 -0.00008111 0.00178815 -0.00896972 C 5.76529058 20.74082849 9.16430770 0.01544854 0.01358456 0.01061970 H 7.31562514 22.17819073 9.72406750 0.00778582 -0.03171911 0.00944666 C 6.50137170 18.82011536 7.86780465 -0.00775322 0.00499510 -0.00544624 H 8.62742021 18.76210787 7.36424335 -0.00297115 -0.01055312 0.03456235 C 5.46742233 19.52912172 8.50994433 0.00312956 0.01160361 0.01120930 H 4.96139251 21.31108240 9.66814003 -0.00604365 -0.00158545 0.01252588 H 6.27868998 17.88219808 7.32399851 -0.00674862 -0.02292617 0.01357120 H 4.43423617 19.13445936 8.50302665 -0.01787532 0.02679692 -0.02094866 C 12.53835914 11.05140217 9.75070653 0.00146140 -0.00812671 -0.00824597 C 12.03845026 10.56380423 8.52313085 0.01656793 -0.01062877 -0.00577845 C 12.02958898 10.53636177 10.96268645 0.01123547 0.00575257 -0.00379812 C 11.02642857 9.57985618 8.48494120 0.00594391 0.00063640 -0.00434019 H 12.46507079 10.96866540 7.58727276 -0.01688085 0.01831150 -0.00915233 C 11.02105646 9.54673284 10.96544181 -0.00510812 0.01984180 -0.00152414 H 12.44324502 10.92152595 11.91294758 -0.00638327 0.00884653 0.00182987 C 10.53625293 9.09663141 9.71806849 -0.00547393 0.01031323 0.00058589 H 9.73548348 8.33143943 9.70692292 0.00327662 -0.01001126 -0.00097713 C 10.43048996 8.96409394 12.26689266 0.00108229 0.00533367 0.00343624 C 10.56117667 7.42200068 12.25612970 0.00632302 0.01274075 0.00742791 C 11.15010105 9.49646563 13.52182204 0.00379531 -0.00472326 0.00665905 C 8.93356697 9.34987886 12.35825024 -0.00468240 0.00843126 -0.00452632 H 10.00587968 6.96234721 11.40828351 0.01141165 -0.00287925 0.00534076 H 11.62756776 7.11377316 12.17513190 0.00100805 -0.01257603 -0.00927269 H 10.14919503 6.99593522 13.19949219 -0.00544619 -0.01640698 -0.00119737 H 11.04843506 10.60023083 13.62641863 0.00323217 -0.00582472 0.00243405 H 10.70388038 9.03229793 14.42972414 0.00123747 0.00419836 0.01197174 H 12.23491071 9.24542905 13.51278328 0.00595875 0.01140812 0.01119454 H 8.47750671 8.93806611 13.28830345 0.00675457 -0.00436626 -0.00345409 H 8.80784134 10.45567690 12.37287188 -0.00424256 0.01159144 -0.00986227 H 8.35836917 8.95379750 11.49175887 -0.02061812 -0.00265984 0.00480408 C 10.45771575 9.02519065 7.15992565 -0.00089777 -0.00575144 -0.00008580 C 8.94198197 9.32839088 7.08095441 0.00031662 0.00338549 0.01888528 C 11.14506914 9.65117597 5.93052983 0.00180670 -0.00657656 -0.01137863 C 10.66753420 7.49160741 7.10816017 0.00223169 0.00018764 -0.00424316 H 8.38880928 8.86098909 7.92583740 -0.01847633 0.00232899 0.00721843 H 8.75175916 10.42428753 7.11531406 -0.00814493 0.01257820 -0.00182382 H 8.51177386 8.92978620 6.13276283 0.01147693 0.00618451 0.01517344 H 12.23714013 9.43557248 5.91431884 0.01087370 0.01147124 -0.00254967 H 10.70724546 9.22567498 4.99996100 -0.00922421 -0.00304253 -0.00788955 H 11.00648086 10.75530894 5.89157953 0.00409882 -0.00820472 -0.00187763 H 10.26738193 7.08179765 6.15262693 -0.00563071 -0.01757093 0.00172162 H 11.74805214 7.23310214 7.17025280 0.01176204 -0.00368310 0.01212091 H 10.14372140 6.97724061 7.94465441 0.00453383 -0.01108945 -0.00724677 C 19.53469352 11.10742294 9.63169868 0.00988900 -0.01013856 -0.00911288 C 20.39438723 10.21935865 9.66469460 0.00480435 -0.01072125 0.00410614 C 21.38833086 9.18743176 9.70032939 0.01325518 0.00566571 -0.00604009 C 21.86636631 8.68019769 10.94103674 0.00985152 0.02286213 0.00705297 C 21.91462623 8.65383382 8.49063221 -0.01086029 0.00353113 -0.02658354 C 22.84495109 7.67843260 10.96784801 -0.00501720 0.00455698 0.00232070 H 21.46008328 9.09918804 11.88028824 -0.00597219 -0.01648288 0.02804882 C 22.88624326 7.64736627 8.52048636 -0.00503054 0.00992301 0.00874987 H 21.54115508 9.05234336 7.53002705 -0.01312992 0.00439792 -0.04761500 C 23.36078668 7.15620154 9.75815085 -0.00955060 -0.01121191 0.01013606 H 23.22102755 7.28450892 11.92990007 -0.00661954 0.01823005 0.00766378 H 23.30643094 7.21117444 7.59327128 -0.01353272 0.03339355 -0.00251441 C 24.40063515 6.08871528 9.73047886 0.00427651 -0.01150445 0.01565455 O 24.86228837 5.57492391 8.70894508 0.00851390 0.00739407 0.00179708 O 24.80960322 5.72252217 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