138 Lattice="27.1831 0.0 0.0 0.0 27.1875 0.0 0.0 0.0 19.3163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-856.5919631321672 dipole="-0.3344988311853904 0.3298172984264984 0.031409746333666166" magmom=0.0 pbc="F F F" C 11.91867838 18.85480270 9.58993267 -0.01810869 0.00064787 0.00740159 C 11.48733703 17.46649366 9.60487793 -0.00841170 0.00758739 -0.00968289 C 10.13287857 17.04891055 9.63854756 -0.00892028 0.01062386 0.00254171 H 7.47060589 13.19867039 9.56357606 0.00095241 0.01512940 0.00544180 H 17.74381068 15.95045643 9.68705317 -0.01001958 -0.01218941 0.00232962 H 17.75927619 13.20586059 9.67933060 -0.01886341 -0.00225838 0.01149410 H 13.98681401 19.70615907 9.56516860 -0.02057959 0.00005232 0.01311298 H 11.24374924 19.72619026 9.58295131 -0.01081578 0.00151912 -0.00817633 H 7.45397666 15.94066273 9.57303150 -0.00631593 0.01248792 -0.00546731 H 13.97508947 9.42342838 9.67067187 -0.00631527 0.00311467 0.01186600 H 11.23052950 9.43058248 9.69704957 -0.00115253 0.01551830 -0.01089790 C 13.29219828 10.28923027 9.66804734 0.00015894 0.00275859 0.01689677 C 13.71391369 11.67740422 9.65312283 -0.00655207 -0.00066871 0.00184534 C 15.07339268 12.10318881 9.65650777 -0.01029274 0.01259122 0.00761239 C 11.91415569 10.29545899 9.67878357 0.00151394 0.00125162 -0.00380071 C 11.50034238 11.68952431 9.65913908 -0.00937508 0.00315455 0.00529954 C 13.29717070 18.84641437 9.58462342 -0.02122476 0.00263302 0.01302518 C 10.15455103 12.12300414 9.63754146 -0.00089416 0.01215303 0.00264974 C 16.88204548 15.26320296 9.67748704 -0.00177443 -0.00114071 -0.00252389 C 13.70834549 17.45296723 9.60667760 -0.00665940 -0.00234813 -0.01663462 C 15.48830165 15.67561263 9.65728753 0.01426026 0.01758617 0.00551687 C 16.89024097 13.88512180 9.67431524 -0.00789862 0.00351085 0.00468417 C 15.50179583 13.46178011 9.65693112 0.00439056 0.00433924 0.00714835 C 15.05807702 17.02241851 9.63908755 -0.00076886 0.01244320 -0.00427053 C 8.32475409 15.26487921 9.57892549 0.00719783 0.01205994 0.00903570 C 9.71360783 15.69506121 9.59339647 -0.01399159 0.00478281 0.00223776 C 8.33198884 13.88647132 9.57701032 0.00273958 0.01324499 0.00555011 C 9.72573850 13.47374730 9.59801052 0.00396214 0.00675593 0.00305255 N 12.59299014 16.62609649 9.60928383 0.01258947 0.00825746 0.00398405 N 12.61654344 12.51897455 9.64870940 -0.03775899 -0.00156372 0.01235348 N 14.65995100 14.55883067 9.64834975 -0.00946166 0.00219834 0.00611631 N 10.55365380 14.58814188 9.59870894 -0.00441570 -0.00125928 0.02548981 Zn 12.60433797 14.57450489 9.62360641 -0.00505302 0.00097456 -0.01005774 C 16.12033960 18.08563613 9.64681477 -0.00202499 -0.00848780 -0.00599278 C 16.62789417 18.57462040 10.86767494 -0.00931025 -0.00583307 -0.00722985 C 16.61484649 18.59447083 8.42904471 -0.01003489 -0.00721962 0.00527079 C 17.61939356 19.57865386 10.89294797 -0.00324903 -0.00943917 -0.00124564 H 16.23059445 18.15174529 11.80818503 -0.00596310 0.00274907 0.00105227 C 17.61025016 19.59377458 8.40968579 -0.00563559 0.00611236 0.00426680 H 16.20070220 18.19182328 7.48647732 0.01082147 -0.00910140 0.00096445 C 18.08643579 20.07270459 9.65278737 0.00337635 -0.00118790 0.00101947 H 18.85830604 20.86766890 9.65541505 0.00954800 -0.00977218 -0.00398892 C 18.17523285 20.14207189 12.21993214 0.00592795 0.00406212 -0.00247418 C 17.75902736 21.62900094 12.34170950 0.00724958 0.00239037 -0.00117232 C 17.63553257 19.38488569 13.45247988 -0.00356276 0.00023192 0.00068765 C 19.72045924 20.03026669 12.22443434 -0.00087574 0.00372907 -0.00380424 H 18.15598029 22.23656433 11.49792892 0.01264480 -0.00162324 -0.00277288 H 16.64997346 21.72979855 12.33841850 0.00588993 0.00662036 0.00289948 H 18.14382032 22.06801996 13.29097575 0.00644408 0.00583147 0.00464689 H 17.89367534 18.30239671 13.42068554 0.00067526 0.00244862 -0.00459205 H 18.08644819 19.81044682 14.37777203 0.00156026 0.00366894 0.00430591 H 16.53013619 19.47469917 13.55077153 0.00380942 0.00527574 -0.01088657 H 20.13685361 20.40964019 13.18574681 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0.00359094 0.00607133 0.00554397 H 18.26768149 22.24663845 7.84380953 0.00457363 0.00115566 0.00137036 C 9.06966387 18.11421698 9.73465060 -0.00764830 0.00108134 -0.00480968 C 8.54894086 18.63286059 10.95439583 0.00698755 -0.00042367 0.03349758 C 8.54399466 18.64074131 8.51112986 0.00968877 -0.01176812 -0.02968894 C 7.54235313 19.63599751 10.93054624 0.01108324 -0.00262076 -0.01295155 O 8.89132136 18.29269609 12.24595571 0.02981236 -0.02466604 0.01171705 C 7.54812290 19.63492909 8.49043798 0.00457917 -0.01360463 0.00080060 O 9.09611549 18.09078747 7.37063652 -0.00471241 -0.00354610 -0.00164833 C 7.05543798 20.12237928 9.71769736 -0.01402118 0.01928050 -0.00349439 H 7.16433412 20.00935160 11.90064959 0.00983267 -0.00719983 -0.00871007 H 7.15541134 20.02774394 7.53790580 0.00522911 -0.00451346 -0.01342276 H 6.26943583 20.90128418 9.71462418 -0.00953909 0.01873887 0.01892487 C 8.59717718 18.57757607 6.12007014 -0.00005422 -0.00812420 0.03310565 C 9.88411277 17.30204029 12.55396093 -0.02423378 0.02607605 -0.00670498 H 9.15142528 18.02588978 5.33127368 0.02019975 -0.02297455 0.01974639 H 8.78181490 19.67333436 5.99730274 -0.01026558 -0.02121411 0.00631005 H 7.50312918 18.37968111 6.00443252 0.00823096 0.00777750 0.00856138 H 9.91436539 17.27146359 13.66452041 0.00457756 -0.00738393 0.01327458 H 10.88930712 17.58236904 12.16549618 0.00769823 0.00658128 0.01347912 H 9.60670544 16.29642544 12.16440465 -0.00500255 -0.00730728 0.01439500 C 9.09105922 11.06251572 9.64917506 0.00667631 0.00751321 -0.00547403 C 8.57892384 10.56849759 8.43335011 -0.00278178 -0.00098327 0.00199735 C 8.60748782 10.55536763 10.87181239 -0.00094736 0.00909330 -0.00361344 C 7.58193156 9.57099601 8.41688115 -0.00000889 0.00448528 -0.00384715 H 8.98049700 10.98163888 7.49011748 0.00245326 -0.00710947 0.00156581 C 7.60261540 9.56517888 10.90079927 0.00627872 -0.00110316 0.00213623 H 9.03666898 10.95271355 11.80947071 -0.01331178 0.00400511 0.00696917 C 7.10764763 9.09490492 9.66156276 -0.00000327 0.00207200 0.00037920 H 6.31948173 8.31626813 9.66530064 -0.00492060 -0.00004022 0.00319039 C 7.04598162 9.00668621 12.22853177 0.00177320 -0.00047919 0.00219101 C 7.18684338 7.46417833 12.23785499 -0.00248988 -0.00100175 -0.00056302 C 7.79352911 9.56477905 13.45889904 -0.00130953 -0.00031895 0.00090599 C 5.55158252 9.39648733 12.35089882 0.00337537 -0.00801009 -0.00409077 H 6.61150208 6.98907814 11.41223481 -0.00433437 0.00415364 0.00090290 H 8.25246088 7.16273916 12.12527677 0.00106917 -0.00521908 0.00039770 H 6.80643658 7.04507118 13.19752048 -0.00230971 -0.00534514 0.00483902 H 7.69034105 10.67012642 13.54319013 0.00410718 0.00241026 0.00691332 H 7.36888367 9.11874806 14.38699725 0.00120094 -0.00111317 0.00291014 H 8.87887861 9.31768316 13.43269331 -0.00108125 -0.00087542 -0.00501732 H 5.12303227 9.00604781 13.30284433 -0.00648417 -0.01110841 -0.00705077 H 5.43049654 10.50376063 12.34698129 -0.00172399 -0.00453448 -0.00343413 H 4.94901583 8.98721330 11.50974896 -0.00003836 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