130 Lattice="27.20348 0.0 0.0 0.0 27.201340000000002 0.0 0.0 0.0 19.3211" Properties=species:S:1:pos:R:3:forces:R:3 energy=-814.2714154421551 dipole="-0.5396698650413003 0.5421223101452408 -0.5660935917758994" magmom=0.0 pbc="F F F" C 11.98912648 18.79929602 9.66713904 -0.00318034 -0.00005628 -0.00400174 C 11.56493962 17.40959549 9.65780542 0.00161560 -0.00951980 0.00031029 C 10.21180858 16.98431878 9.65571851 -0.00919166 0.01305302 -0.00468778 H 7.53469950 13.14437978 9.69168574 0.00973802 0.00178259 0.00653856 H 17.81706123 15.90307517 9.69923683 -0.00547204 -0.00954130 0.01792078 H 17.82533181 13.16039616 9.66947305 -0.00917734 -0.01653470 0.00173690 H 14.04650450 19.66794440 9.69287802 -0.00063337 -0.01993687 0.00168934 H 11.31027531 19.66727436 9.67470774 -0.00550563 -0.00684144 -0.01487437 H 7.52674489 15.88025145 9.67678528 0.01640274 0.01162841 -0.01653222 H 14.04612198 9.37625849 9.67464688 0.01909893 0.01043307 -0.00026016 H 11.30604762 9.38022012 9.69920558 0.00534275 0.01072858 0.01323151 C 13.36614226 10.24352942 9.67350622 0.00085997 0.00133848 -0.00778837 C 13.78458328 11.63245734 9.65854759 -0.00314789 -0.00431710 0.00455854 C 15.14159648 12.06206314 9.64904616 0.01195642 -0.01070056 -0.00625726 C 11.98937391 10.24516849 9.68720868 0.00726590 0.00322499 0.00424689 C 11.57092423 11.63675235 9.68179191 -0.00670505 -0.00221219 0.00969678 C 13.36647118 18.80059580 9.67910604 0.00441866 -0.01535356 0.01269915 C 10.22182192 12.05828406 9.69533694 -0.00196313 0.00686659 0.01281876 C 16.95421513 15.21705984 9.68865552 -0.00697447 -0.01135059 -0.00922290 C 13.78708509 17.40988877 9.67717406 0.00238601 -0.01790607 0.01558631 C 15.56188588 15.63337356 9.68273768 0.00088295 -0.00200403 0.00870708 C 16.95779630 13.84009606 9.67137229 0.00057864 0.00351958 -0.00500456 C 15.56945554 13.41965703 9.65718052 0.00697126 0.00196553 0.01069358 C 15.13838816 16.98179349 9.69466536 -0.00064602 -0.00141783 0.01187193 C 8.39743092 15.20469037 9.66995114 -0.00057693 -0.00329735 0.00329735 C 9.78731148 15.63108282 9.66082812 -0.01055894 0.01144391 -0.00071109 C 8.39975609 13.82708106 9.68096847 0.00859831 0.00586830 0.02168263 C 9.79086371 13.40884346 9.67955871 0.01536033 0.00840163 0.01444195 N 12.67717515 16.57647632 9.66050555 -0.00286072 -0.01641469 0.01259720 N 12.68507867 12.47193455 9.66192490 -0.00292742 -0.00319537 -0.00001633 N 14.72853974 14.51787538 9.66116310 0.00392372 0.00026667 0.01071865 N 10.62149288 14.52022891 9.66401165 0.00964033 -0.00191057 0.00300826 Zn 12.67561960 14.52379545 9.65987933 0.00492144 -0.00310237 0.01144907 C 16.19680298 18.04911297 9.70039611 -0.01299835 -0.00469578 -0.01174111 C 16.70185344 18.57735130 10.89563592 -0.00727047 -0.01022474 -0.00063699 C 16.67927371 18.55306376 8.47562741 0.00520215 0.00524998 -0.01552365 C 17.67401826 19.60548427 10.89086542 -0.00815584 -0.00915245 -0.00794649 H 16.35027376 18.21097761 11.87796383 -0.00182546 -0.00230030 0.01204176 C 17.64500532 19.57776652 8.44510980 0.00243294 0.00272266 -0.01990094 H 16.27645217 18.14243204 7.53463684 0.01502271 0.00181870 -0.01231301 C 18.16438531 20.13066930 9.65715125 0.02215328 0.02131012 -0.00084836 O 18.02829416 19.99738921 12.16560607 -0.01479227 -0.01995717 0.02137193 O 18.13244784 20.10204089 7.25633861 -0.01252500 -0.01271429 -0.02167196 O 19.09445566 21.15052106 9.76648347 0.01406573 0.03219861 -0.00829848 C 19.75649215 21.73771944 8.63410238 -0.00337747 -0.00553458 0.02357479 C 17.60445285 19.54602106 6.04969916 0.00053758 0.00232011 -0.00389776 C 19.03079896 20.98740155 12.44362094 0.01510019 0.01280387 0.00012217 H 19.07576874 21.03146033 13.55387914 0.00117835 -0.00427346 0.01731254 H 18.75724482 21.98917862 12.04561455 -0.00365208 0.01102646 -0.00273024 H 20.02891078 20.69993344 12.04551957 0.01692609 -0.00601616 -0.00776204 H 20.48130476 22.45762253 9.07655837 -0.01571211 -0.01171765 0.01555407 H 19.04964944 22.28841561 7.97310752 0.00348342 -0.02519588 0.00448957 H 20.31037378 20.98586683 8.02822713 -0.01636241 -0.00549537 0.00571850 H 18.11615684 20.08131620 5.22151466 0.00459351 0.00783338 0.01268713 H 16.50068439 19.70523913 5.96712410 0.02701006 0.00375422 -0.00996724 H 17.81464663 18.45113085 5.96772842 0.00792140 0.02845813 -0.00170613 C 9.14585228 18.05188154 9.65569384 -0.01685489 0.00721349 0.00089793 C 8.64116772 18.55599849 10.87452068 0.00559588 -0.00730969 0.00161941 C 8.64220151 18.55979683 8.43831218 0.00160566 -0.01069891 -0.00347515 C 7.64293431 19.55595761 10.89979965 -0.00497052 0.00640355 0.00147888 H 9.04908731 18.14785839 11.81777535 -0.00078533 -0.00280735 0.00029279 C 7.64240044 19.55808859 8.41843786 -0.00916596 0.00752708 -0.00217531 H 9.04999620 18.15605876 7.49308313 -0.00231412 -0.00349141 -0.00039296 C 7.16275387 20.03727468 9.65972697 0.01973230 -0.01835639 0.00006239 H 6.37926698 20.82145192 9.66027190 0.00450225 -0.00668456 0.00101768 C 7.07526206 20.12253376 12.22305907 0.00348291 -0.00383940 -0.00161684 C 5.55121024 19.85069850 12.29165825 0.00496833 -0.00326884 -0.00638524 C 7.73775733 19.48522786 13.46294451 0.00237769 0.00073615 0.00279948 C 7.31564590 21.65219471 12.27684366 0.00300358 -0.00723825 -0.00665578 H 5.00696762 20.33836890 11.45241033 0.00954928 -0.01214698 -0.01657520 H 5.33169751 18.76011878 12.25219728 0.01042280 -0.00898187 -0.00848791 H 5.13011830 20.25362186 13.24180681 -0.00016327 -0.00765988 -0.00402911 H 8.83559392 19.66863029 13.49035620 0.00116923 0.00757071 -0.00524478 H 7.30094044 19.92660569 14.38759514 -0.00137262 -0.00128331 0.00207118 H 7.57033887 18.38527379 13.50609295 0.00059301 -0.00029715 -0.00232308 H 6.91387937 22.07515768 13.22676932 0.00394727 -0.00725527 -0.00581660 H 8.40155376 21.89038095 12.22405514 0.00632531 -0.00563821 -0.00370971 H 6.81120331 22.17918433 11.43647255 0.00409759 -0.00561793 -0.01052128 C 7.07390205 20.12875691 7.09800369 -0.00124783 0.00057724 -0.00224763 C 7.34106757 21.65345163 7.03885020 0.00357871 -0.00162640 0.00170287 C 7.71143625 19.47396118 5.85435335 0.00109230 -0.00203266 -0.00266073 C 5.54483926 19.88638326 7.04344509 0.00130908 -0.00218534 0.00224043 H 6.84966681 22.18915693 7.88140816 0.00959510 -0.00350692 0.00586665 H 8.43080053 21.87492155 7.08450131 0.00961919 -0.00782574 0.00109061 H 6.94046977 22.08109909 6.09093168 0.00208199 0.00167601 -0.00123458 H 7.52882046 18.37621934 5.82132544 0.00243572 -0.00410357 0.00646779 H 7.26831340 19.91530864 4.93263180 0.00033293 -0.00180623 -0.00176150 H 8.81081207 19.64442154 5.81146458 0.00335794 -0.00228725 0.00131653 H 5.12393605 20.28993986 6.09348291 -0.00405430 -0.00426439 0.00422326 H 5.30695943 18.80033238 7.09410216 0.00468830 -0.00741383 0.00335002 H 5.01748355 20.38994634 7.88409985 0.00161459 -0.00659292 0.00867448 C 9.15490328 10.99985720 9.70170612 0.01116628 0.00654751 -0.01518884 C 8.65006141 10.51901608 8.47654653 0.00525366 -0.01422869 -0.00778725 C 8.62700358 10.49491632 10.89710609 0.01104876 0.00416247 -0.00546727 C 7.62391537 9.55490012 8.44575120 -0.00277630 -0.00118923 -0.01754350 H 9.06686833 10.91819932 7.53684937 -0.01710044 -0.00845395 -0.02106235 C 7.59682081 9.52519258 10.89172624 0.01266945 0.01226913 -0.01307722 H 8.99681332 10.84067746 11.88037783 -0.00202322 0.01564450 0.00386754 C 7.06993883 9.03731760 9.65779080 -0.02331680 -0.01932924 0.00295026 O 7.09808439 9.06776560 7.25761509 0.01017137 0.01746577 -0.02818215 O 7.20362768 9.17303516 12.16626999 0.00777681 0.00520939 0.01734474 O 6.04531959 8.11258267 9.76670141 -0.03855564 -0.01670254 -0.01032547 C 6.21699538 8.16674850 12.44441122 -0.01018094 -0.00858401 0.00373378 C 5.46196154 7.44556784 8.63489228 0.01094584 0.00824908 0.03220082 C 7.65191827 9.59793958 6.05086750 -0.00294886 -0.00126609 0.00028113 H 6.17581828 8.12161328 13.55483256 0.00072315 -0.00493160 0.01772735 H 6.50588777 7.16846367 12.04671804 0.01518755 -0.00444877 -0.01147224 H 5.21333395 8.43685822 12.04867871 -0.00673707 0.01129608 -0.00575813 H 4.74226197 6.72102766 9.07853974 0.01399104 0.01597224 0.00893739 H 6.21643297 6.89177480 8.03226755 0.00355088 0.01384789 0.00732584 H 4.91162329 8.14969303 7.97066349 0.02570168 -0.00649069 0.00394029 H 7.11554878 9.08797887 5.22241705 -0.00884684 -0.00807315 0.01328220 H 8.74660901 9.38761129 5.96733765 -0.02568686 -0.00658959 -0.00476738 H 7.49275172 10.70183303 5.97037797 -0.00413134 -0.02518962 -0.00619477 C 16.15328414 11.05136087 9.64665688 0.00574394 -0.00798655 -0.01141435 C 17.02621551 10.17719133 9.64869264 0.01351815 -0.01193168 -0.00909810 C 18.03696066 9.16520072 9.67545988 0.01556198 -0.01693113 0.00275712 C 18.52779608 8.67457585 10.91731790 -0.00168002 0.00000206 0.01031770 C 18.56740939 8.63158621 8.46678260 0.00114244 -0.00042311 0.00026414 C 19.51784253 7.68429085 10.94961367 0.00493815 -0.01028928 0.01057030 H 18.11428952 9.08635422 11.85714479 0.00646801 0.00107946 0.00089784 C 19.55471810 7.64016926 8.50478081 0.01016936 -0.00406393 0.00230336 H 18.18575950 9.01237500 7.50037610 0.00441020 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