79 Lattice="24.82117 0.0 0.0 0.0 24.14154 0.0 0.0 0.0 16.24469" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.9302675338428 dipole="-1.0005843384613915 0.9219716511436282 0.20774666160557959" magmom=0.0 pbc="F F F" C 10.83440961 16.88987913 7.52104736 0.00321524 -0.00206567 -0.01765710 C 10.41726605 15.49758413 7.47603292 -0.00057119 -0.00032822 0.01780521 C 9.06823553 15.06286196 7.49702326 0.00386053 -0.00196916 -0.00307883 H 6.41461173 11.21096743 7.49278005 0.00727553 0.00727975 -0.00821901 H 16.68883469 14.01237127 7.37910820 -0.00840986 0.00352321 0.00715003 H 16.71072848 11.30083436 7.67824393 0.00506565 -0.00822443 0.02917483 H 12.88612581 17.76762446 7.50939133 -0.00032351 -0.00435053 -0.01172381 H 10.15098687 17.75308889 7.57876773 0.01078243 -0.01074376 -0.01231281 H 6.39646466 13.94638201 7.56745619 -0.00168142 -0.00289782 -0.01373885 H 12.94533134 7.50353716 7.85150537 -0.00277552 -0.00711293 0.02340326 H 10.23084603 7.46096252 7.52227990 -0.01387916 0.00208903 0.00679777 C 12.26184518 8.36112042 7.73661226 -0.00022390 0.00125278 0.01482410 C 12.67050038 9.75245868 7.68312315 0.00642937 0.00352561 0.00922171 C 14.01252508 10.19334399 7.81282925 -0.02244179 0.00459730 0.02359746 C 10.89485575 8.33932828 7.55794181 -0.01189688 0.00464780 0.02184773 C 10.46433231 9.72246416 7.43705630 -0.00704867 -0.00615267 0.00727748 C 12.21105923 16.89659072 7.48614488 -0.00384118 -0.00129377 -0.00793579 C 9.10881453 10.13794582 7.40081492 -0.00150241 0.00202289 0.00218805 C 15.82418954 13.33177705 7.43935462 -0.01531221 -0.02103113 0.01528529 C 12.63923272 15.50799246 7.42025961 0.00864398 0.01051120 0.00564581 C 14.43038488 13.74017900 7.37990018 0.00472058 -0.00529916 0.01811095 C 15.83423249 11.96317222 7.59695486 -0.01044861 0.01092029 0.02598906 C 14.44758027 11.52930380 7.60199413 -0.00127031 -0.00294033 -0.00696581 C 13.99361631 15.08947674 7.38141125 -0.00221116 -0.00136134 -0.01250598 C 7.26771453 13.27341473 7.51195645 -0.00086303 0.00438186 -0.01773526 C 8.65541966 13.70728576 7.47533086 -0.00300452 -0.00113208 -0.00527790 C 7.27734254 11.89707751 7.47567534 0.00955681 0.00037364 -0.01057220 C 8.67230539 11.48619747 7.42147580 -0.00669898 0.00088537 -0.00500141 N 11.53186562 14.67018287 7.41807992 0.00036528 -0.01617942 -0.01288487 N 11.56695490 10.56861389 7.47577782 -0.00362591 -0.02050635 -0.00054566 N 13.60663905 12.62181362 7.43682063 0.01901037 0.00434069 0.00620726 N 9.49776454 12.60382497 7.42227223 -0.01848344 0.00263448 -0.00402024 Zn 11.54923457 12.61941909 7.42888926 0.00071539 -0.00599887 -0.00848441 C 15.05308045 16.16008372 7.42325363 -0.00752732 -0.00852773 -0.01475684 C 15.52088112 16.65734270 8.66313821 -0.00464025 -0.01300259 -0.00667069 C 15.59921930 16.68757741 6.23089317 0.00281866 -0.00816679 0.00638042 C 16.51457959 17.65400116 8.70796715 -0.00915690 -0.00335168 -0.00079523 H 15.09602439 16.25211050 9.60253948 -0.00469634 -0.00551290 -0.00615690 C 16.59372064 17.68327230 6.27535286 -0.00348595 -0.00691702 0.00318634 H 15.23409458 16.30684680 5.25728979 0.00401345 -0.00511663 -0.00268759 C 17.05580374 18.16840952 7.51378957 -0.00218815 0.00025026 0.00436247 H 17.83855891 18.95058111 7.54911691 -0.00849441 -0.00574291 -0.00222513 H 16.86945759 18.03236003 9.68554824 0.00594437 0.00065708 0.01230471 H 17.01299739 18.08353348 5.33240085 0.00542025 0.00275309 -0.01068908 C 7.99413763 16.11916593 7.51158033 0.00263396 -0.00002945 -0.00600297 C 7.48127276 16.63279220 8.72560145 0.00535878 -0.00153338 0.00121301 C 7.48219483 16.61934427 6.29126358 0.00582034 -0.00010379 -0.00243721 C 6.48272143 17.62658062 8.71829698 0.00373485 -0.00332460 -0.00261304 H 7.87530894 16.24662303 9.68555413 0.01063787 -0.00699999 0.00208581 C 6.48339132 17.61065397 6.28303691 0.00127319 -0.00290321 -0.00018902 H 7.88097943 16.22090950 5.33821859 -0.00133384 0.00136689 -0.00891361 C 5.98188616 18.11796601 7.49714674 0.00178356 -0.00145278 0.00464585 H 6.09048823 18.02241150 9.67512689 0.00842811 -0.00825329 0.00436746 H 6.09395345 17.99091803 5.31914377 -0.00140198 0.00127488 0.00278193 H 5.19708526 18.89840925 7.49050469 -0.00549283 0.00549072 0.01076238 C 8.04966518 9.06835557 7.43116322 0.00411003 -0.00413348 0.00595149 C 7.52593466 8.53047741 6.23325248 0.00550533 0.00199954 0.00628663 C 7.55548000 8.58869574 8.66697299 0.00111683 -0.00786514 0.00620585 C 6.52843827 7.53638060 6.26963977 0.01244577 -0.00179303 0.00654759 H 7.91173534 8.89962674 5.26329095 -0.00387047 0.00273819 0.00099028 C 6.55720221 7.59697382 8.70338953 0.00248702 -0.00391653 0.00493273 H 7.96373481 9.00398357 9.60868545 -0.00432453 0.00352535 0.00394390 C 6.03974516 7.06891706 7.50462530 0.01229761 -0.01137777 0.00219405 H 5.25454688 6.28872478 7.53382906 0.00488917 0.00691554 -0.00401728 H 6.17966233 7.23327584 9.67841416 -0.01110915 -0.01024818 0.00891398 H 6.12903907 7.12277771 5.32374816 -0.00616253 0.00028546 -0.00993462 C 14.97249647 9.28885520 8.51523979 -0.00364283 0.00948647 -0.00289022 C 16.00317214 8.52098433 8.04524989 -0.00045387 0.00915472 -0.00410151 H 14.82709000 9.28471648 9.62161026 -0.00476864 -0.01284846 0.01696365 C 16.86175709 7.87314817 9.01719142 -0.02932455 -0.01324246 -0.02028700 H 16.21722964 8.39646699 6.96593004 0.00886519 0.00301686 -0.00057216 C 17.93428790 7.02950744 8.80144711 -0.01775627 -0.00905178 0.00471079 H 16.64563905 8.11631473 10.07957864 -0.00046048 0.02206411 0.00409453 C 18.34013309 6.50122758 7.44579824 -0.00203490 0.02557525 0.00318804 O 17.70502482 6.71959687 6.41792642 0.01236003 0.02049388 -0.02151571 O 19.47062636 5.73094403 7.42489075 0.00513904 -0.01057956 -0.04844783 H 19.82939837 5.66496703 8.34910772 -0.00176244 0.00732135 0.02472471 C 18.73010447 6.59847871 9.91905020 -0.01170515 -0.00838440 -0.00255973 N 19.46627088 6.20501773 10.76454755 0.00750909 -0.01803990 -0.03633683