136 Lattice="29.23173 0.0 0.0 0.0 29.22728 0.0 0.0 0.0 19.3163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-850.604541523122 dipole="-0.6459772390585418 0.6447219943803973 0.5046810435827237" magmom=0.0 pbc="F F F" C 13.95732353 18.86376168 9.65735600 0.00687648 -0.01055141 -0.00424711 C 13.52988497 17.47864008 9.65647299 0.00454416 -0.00833195 -0.01096934 C 12.16930576 17.06026328 9.64640251 -0.00798184 0.00655009 -0.00396453 H 9.51819553 13.20463479 9.65949696 -0.01044620 0.00753659 0.00679094 H 19.78024008 15.96343951 9.66226081 0.01252462 -0.00355778 0.00152730 H 19.81431711 13.22023297 9.65890016 -0.02804050 0.01625217 -0.00441928 H 16.02469042 19.71157796 9.65973758 -0.00552766 0.01118456 0.00704244 H 13.27842107 19.73240737 9.65655396 0.00811196 -0.01628315 -0.00525989 H 9.49699701 15.95096595 9.65673649 0.01781816 -0.00889541 -0.00544957 H 16.00889721 9.41504446 9.65907646 -0.01537104 0.02599707 -0.00437150 H 13.26572395 9.44923789 9.66188814 0.00270761 -0.01338293 0.00152616 C 15.33571614 10.28910246 9.65791253 -0.00588563 0.01629731 0.00095189 C 15.76892623 11.67465893 9.65584866 0.00019485 -0.00024489 0.00029615 C 17.13284938 12.09654774 9.65035283 -0.01294141 0.01304770 -0.00273628 C 13.95745622 10.30645578 9.66077172 0.00850875 -0.01161870 0.00017929 C 13.55241353 11.70154713 9.66052816 0.00384940 -0.00761627 0.00066037 C 15.33494863 18.85212399 9.66165917 -0.00395264 0.00777264 -0.00077150 C 12.20914784 12.14241574 9.66180391 0.00494777 0.00327081 0.00041638 C 18.92295898 15.27171851 9.66107416 0.01447630 -0.00307956 0.00028800 C 15.74237155 17.45687771 9.66417027 0.00408691 0.00545333 -0.00794735 C 17.52793338 15.67681716 9.66095119 0.00658870 -0.00254229 0.00087830 C 18.94028841 13.89354681 9.65790745 -0.01528443 0.00040791 0.00105293 C 17.55481321 13.46043103 9.65583416 -0.00156607 -0.00168367 0.00038859 C 17.08725875 17.02019715 9.66255802 -0.00155920 -0.00663391 0.00038173 C 10.36576356 15.27215961 9.65743827 0.00863865 -0.00192932 -0.00432458 C 11.75086198 15.69971067 9.65664328 0.00898728 -0.00365888 -0.01102885 C 10.37750412 13.89463471 9.66141882 -0.00975683 -0.00097183 -0.00052217 C 11.77268327 13.48733058 9.66390094 -0.00434652 -0.00587151 -0.00822865 N 14.62611918 16.63140376 9.66306091 0.00964560 0.00077696 -0.01079180 N 14.67195002 12.52198332 9.65820926 0.00697040 -0.00812062 0.00175983 N 16.70746010 14.55729591 9.65831179 0.00832018 -0.00688353 0.00194168 N 12.59810641 14.60350386 9.66317257 -0.00127184 -0.00988944 -0.01083397 Zn 14.64976558 14.57969408 9.66096731 -0.01824355 0.01834930 -0.00280755 C 18.14644214 18.07854274 9.66134454 -0.00776934 0.01881756 0.00039899 C 18.64648377 18.57324169 10.87948885 0.00781337 0.01128299 0.00536340 C 18.64278458 18.57493300 8.44201546 0.00789033 0.01220529 -0.00458911 C 19.64520566 19.56802985 10.90107677 0.00916940 0.00501845 0.00787925 H 18.24113375 18.15804411 11.81960021 0.00369445 0.00406984 0.00777347 C 19.63965205 19.57071915 8.41947280 0.00726349 0.00615225 -0.00557998 H 18.23549912 18.16170108 7.50187202 0.00076533 0.00262800 -0.00611746 C 20.11810299 20.05323459 9.65984879 0.00032937 0.00395134 0.00166241 H 20.89842114 20.84058355 9.65825451 -0.00323879 -0.00925603 0.00218651 C 20.19862670 20.12513601 12.22901550 0.00856499 0.00562561 0.00193112 C 19.78249326 21.61116528 12.36293033 -0.00045189 -0.00288816 0.00978109 C 19.66281988 19.35410932 13.45644709 0.01693300 0.01249092 0.00257573 C 21.74254015 20.02104980 12.23317915 0.00269330 -0.00704280 0.01123599 H 20.19064142 22.22509531 11.52825817 -0.00130306 0.00221590 0.01945246 H 18.67384781 21.71656176 12.35301803 0.00821089 0.00009164 0.00094243 H 20.16394804 22.03233362 13.32164204 -0.00138319 0.03103417 -0.01100944 H 19.92377547 18.27174860 13.41603381 -0.00887706 0.01055546 -0.01348843 H 20.11779328 19.77435901 14.38200856 -0.00707761 -0.00042240 0.01797066 H 18.55765851 19.44127804 13.56092123 0.01897840 0.00355204 -0.01676506 H 22.15088750 20.40169966 13.19744242 0.02359577 0.01045081 -0.01096382 H 22.06990353 18.96399089 12.11081192 0.00480985 0.00526028 -0.00056442 H 22.19992789 20.61665583 11.41151538 0.00821966 -0.00603491 0.02400036 C 20.19575780 20.12602023 7.09277723 0.00818895 0.00689684 0.00132749 C 21.73034747 19.92630570 7.05885206 0.00274760 -0.00153462 -0.01243625 C 19.59066578 19.41712036 5.86079775 0.01403206 0.01569942 0.00103606 C 19.86851169 21.63708930 7.00006633 0.00282518 -0.00188778 -0.00419082 H 22.23355006 20.47117727 7.88862118 0.00955873 -0.00957161 -0.01795597 H 21.99587690 18.84835040 7.14707853 0.00052288 0.00944483 0.00040292 H 22.14677606 20.30721218 6.09822182 0.02720853 0.00814703 0.00741513 H 18.48718299 19.55181987 5.79358072 0.01438885 0.01159659 0.01393912 H 20.03745452 19.84307371 4.93394498 -0.01061979 0.00730503 -0.01413773 H 19.80583938 18.32427408 5.86153947 0.00039121 0.01579579 0.01528304 H 20.25348523 22.05627665 6.04188519 -0.00223165 0.02876777 0.01293799 H 18.76875469 21.80850685 7.03773352 0.01482009 0.00526768 0.00255950 H 20.33247254 22.20737567 7.83603338 -0.00495696 0.00864633 -0.01150381 C 11.15659110 18.07292166 9.63233457 -0.00517479 0.00502269 0.00605332 C 10.28186023 18.94719380 9.62802717 -0.03075308 0.03155776 0.01130821 C 9.26785124 19.96122474 9.65623998 -0.01379959 0.01349044 0.00236382 C 8.77283674 20.45593678 10.89121345 0.00565384 -0.00631441 0.01765540 C 8.72633357 20.50318857 8.45385850 0.01187016 -0.01187146 0.00056039 C 7.77994121 21.44871857 10.93844471 -0.00195587 0.00153931 -0.00638813 H 9.18023303 20.04829816 11.83564028 0.01293392 -0.01274128 0.00702400 C 7.73864081 21.49049636 8.49151138 0.01441693 -0.01337026 -0.00167352 H 9.09566019 20.13362679 7.47799020 0.01407300 -0.01322721 0.01979953 C 7.25610144 21.97261920 9.73397700 0.00000669 -0.00042733 -0.01279948 H 7.41930863 21.80910369 11.91895002 -0.01023292 0.01015262 -0.01614776 H 7.31530639 21.91344586 7.56027337 0.01195452 -0.01125537 0.02730937 O 6.28618362 22.94217084 9.65317435 -0.00583986 0.00560175 -0.01314018 C 5.77018975 23.45734657 10.88315383 -0.00548283 0.00539925 0.02260264 H 5.01202042 24.21530901 10.59412349 -0.01226767 0.01177275 0.02406827 H 6.56527400 23.94631335 11.49665209 0.00666890 0.00895239 0.00256594 H 5.28135052 22.66166837 11.49596577 -0.00911304 -0.00619709 0.00289523 C 11.15045132 11.08367538 9.66040222 -0.01713750 0.00531334 0.00163208 C 10.65423723 10.58675343 8.44133594 -0.01152030 -0.00821762 -0.00471551 C 10.65569468 10.58426927 10.87881277 -0.01155568 -0.00879747 0.00633644 C 9.65918771 9.58895763 8.41907802 -0.00544555 -0.00905667 -0.00509217 H 11.06721807 10.99412796 7.50112963 -0.00225613 -0.00188420 -0.00630217 C 9.66125889 9.58536531 10.90081987 -0.00595396 -0.01027835 0.00874045 H 11.07096696 10.99030663 11.81859294 -0.00570242 -0.00437098 0.00912670 C 9.17665378 9.11123350 9.65971469 -0.00242161 -0.00130267 0.00171938 H 8.38996957 8.33026870 9.65886984 0.00965578 0.00258910 0.00133791 C 9.10606932 9.02942389 12.22865503 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0.00195834 -0.00285555 -0.00451669 C 9.81688891 9.63380729 5.86064763 -0.01446122 -0.01507319 0.00137266 C 9.29615262 7.49748805 7.05853842 0.00325116 -0.00184009 -0.01165877 H 7.02119148 8.90504808 7.83340462 -0.00800740 0.00449636 -0.01414377 H 7.42625689 10.46707748 7.03527414 -0.00302288 -0.01441234 0.00146607 H 7.17357163 8.98290685 6.03942784 -0.02578899 0.00092259 0.01283669 H 10.90894215 9.41511714 5.86241667 -0.01490449 -0.00405481 0.01550148 H 9.38943866 9.18880609 4.93362599 -0.00496123 0.00907516 -0.01361440 H 9.68560597 10.73773624 5.79264723 -0.01119035 -0.01661475 0.01306558 H 8.91144758 7.08325573 6.09843035 -0.00634288 -0.02795689 0.01033411 H 10.37288088 7.22743297 7.14561853 -0.00850197 -0.00438334 0.00043006 H 8.74961954 6.99651653 7.88859233 0.00901933 -0.00888053 -0.01906526 C 18.14780124 11.08192458 9.64312979 -0.01662764 0.01431612 0.00008564 C 19.02302639 10.20661579 9.63721895 -0.00229713 0.00178170 0.02162293 C 20.03833797 9.19104831 9.65893617 0.00505087 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