88 Lattice="29.23173 0.0 0.0 0.0 29.22728 0.0 0.0 0.0 15.084399999999999" Properties=species:S:1:pos:R:3:forces:R:3 energy=-592.0072294709635 dipole="-0.6428134498376279 0.6422608826085556 0.5097633615623445" magmom=0.0 pbc="F F F" C 13.96024853 18.86210929 7.54187483 -0.01658538 -0.00997825 -0.00511327 C 13.53531602 17.47596692 7.54121142 0.01060000 -0.01602386 -0.01041208 C 12.17386857 17.05560205 7.53541212 -0.00558972 0.00560887 -0.02042054 H 9.51001704 13.20593071 7.54221650 0.01297326 0.02171592 0.00200941 H 19.78969786 15.96005931 7.54274088 0.00004163 -0.01595203 0.00316552 H 19.80911418 13.22036080 7.54150088 -0.00159121 -0.01400807 -0.00360359 H 16.02363594 19.71920052 7.54224928 -0.02178247 -0.01342209 0.00204742 H 13.27999982 19.72897986 7.54183675 -0.01115818 -0.00430349 -0.00184732 H 9.50032691 15.94943657 7.54186491 0.00391740 0.01185745 -0.00181588 H 16.00838780 9.42004733 7.54150360 0.01351502 0.00067945 -0.00360027 H 13.26892490 9.43971535 7.54268445 0.01637129 0.00169331 0.00311117 C 15.33333410 10.29136379 7.54098314 0.01880724 0.00182372 -0.00522830 C 15.76292373 11.67753674 7.53927774 -0.01838222 0.02010278 -0.00287583 C 17.12696726 12.10216680 7.53338090 0.00153032 -0.00162273 0.00708677 C 13.95570260 10.30156814 7.54271867 -0.00427023 -0.01093415 0.00060097 C 13.54410231 11.69477166 7.54292526 -0.01494281 -0.00874396 -0.00030574 C 15.33773570 18.85579970 7.54259199 -0.00856478 0.00285279 0.00149589 C 12.19751851 12.13014950 7.54265568 -0.00431394 -0.00045029 0.00157920 C 18.92788273 15.27327643 7.54277453 0.01055495 0.00327531 0.00070293 C 15.75012172 17.46215749 7.54307768 0.00538071 0.00705358 0.00102796 C 17.53474129 15.68506119 7.54297908 0.00885247 0.01507403 -0.00018095 C 18.93788169 13.89555186 7.54100489 -0.00244023 -0.01628271 -0.00510639 C 17.55171668 13.46617956 7.53928902 -0.01952902 0.01864107 -0.00289568 C 17.09938691 17.03168127 7.54284836 -0.00017834 0.00515740 0.00140705 C 10.36722512 15.26926917 7.54188299 0.01012565 0.01555322 -0.00509394 C 11.75338363 15.69419012 7.54122254 0.01589151 -0.01102441 -0.01039657 C 10.37345489 13.89176941 7.54255250 -0.00243871 0.00933966 0.00143107 C 11.76709406 13.47940175 7.54300082 -0.00694056 -0.00516339 0.00090524 N 14.63394250 16.63181179 7.54301822 0.01925412 -0.00537693 -0.00247270 N 14.66227082 12.52021687 7.54204578 -0.02937566 0.01083843 -0.00292378 N 16.70925226 14.56698658 7.54204883 -0.01028541 0.02987149 -0.00290680 N 12.59748682 14.59552846 7.54299767 0.00570912 -0.01889030 -0.00250251 Zn 14.64836830 14.58105884 7.54247585 0.00477894 -0.00493168 -0.00155091 C 18.16182322 18.09599876 7.54242953 -0.01772726 -0.00766748 0.00123127 C 18.66886748 18.60422351 8.75901351 -0.00451047 0.00202422 0.00640882 C 18.66940363 18.60404402 6.32597453 -0.00530897 0.00211039 -0.00596656 C 19.66644908 19.59661125 8.75987279 0.00646497 0.00442038 0.02236529 H 18.26952332 18.20873042 9.71274875 0.00508093 -0.00014478 0.01964057 C 19.66694487 19.59653472 6.32557028 0.00559947 0.00451759 -0.02159492 H 18.27051625 18.20849692 5.37205629 0.00531648 -0.00025804 -0.01920534 C 20.16837498 20.09599446 7.54282439 0.00201280 -0.00220441 -0.00021671 H 20.95242135 20.87711816 7.54296874 0.00630010 0.00359261 0.00000750 H 20.05216891 19.98353563 9.72319097 0.00962555 0.00504414 -0.01865169 H 20.05299092 19.98346983 5.36240115 0.00978146 0.00481718 0.01886116 C 11.16103532 18.06850622 7.52197067 -0.00949273 0.00914880 -0.01823340 C 10.28646809 18.94316980 7.50497504 -0.00417489 0.00305449 -0.00524292 C 9.27208717 19.95722428 7.52918487 -0.00028938 0.00085969 0.00645264 C 8.77976410 20.44928339 8.76547090 -0.00912928 0.00915233 0.01198543 C 8.73118284 20.49829745 6.32730177 -0.01553654 0.01502011 0.00371414 C 7.78605064 21.44269535 8.81859176 0.00021217 -0.00079986 -0.02017250 H 9.19637571 20.03313831 9.70233056 -0.01773296 0.01686235 0.02470896 C 7.74339039 21.48574252 6.37016635 -0.00937444 0.00774364 0.01699358 H 9.10203060 20.12723613 5.35336587 0.00462038 -0.00383734 -0.01495865 C 7.26148636 21.96721767 7.61398904 -0.01789240 0.01763882 0.00948361 H 7.42172001 21.80705979 9.79756530 0.02516015 -0.02565419 -0.03126617 H 7.31561141 21.91296281 5.44335455 0.01686084 -0.01575084 0.00662920 O 6.29031406 22.93799620 7.53088968 0.01874437 -0.01952791 0.00700378 C 5.77026312 23.45719580 8.75888928 0.01436361 -0.01472360 -0.01604372 H 5.01239854 24.21476759 8.46690701 -0.00057462 0.00023836 0.01031972 H 6.56348886 23.95176839 9.37096282 0.00281905 -0.02222964 0.00911389 H 5.27590561 22.66334242 9.37027847 0.02175244 -0.00264912 0.00976810 C 11.13309724 11.06785523 7.54191977 0.00781454 0.01757399 0.00036591 C 10.62474785 10.56108232 6.32527547 -0.00123039 0.00458022 -0.00565383 C 10.62495625 10.56039983 8.75834119 -0.00217004 0.00466921 0.00653075 C 9.63215357 9.56366531 6.32444224 -0.00440162 -0.00602893 -0.02178149 H 11.02033257 10.96037957 5.37155124 -0.00006640 -0.00520127 -0.01954556 C 9.63232678 9.56306672 8.75880207 -0.00534696 -0.00574791 0.02157693 H 11.02081794 10.95930905 9.71211460 -0.00039809 -0.00588715 0.01982262 C 9.13275844 9.06178599 7.54152248 0.00200400 -0.00165136 0.00015698 H 8.35152114 8.27785900 7.54143418 -0.00375407 -0.00652091 -0.00033642 H 9.24551454 9.17705794 9.72202266 -0.00576643 -0.01016916 -0.01891809 H 9.24515762 9.17798796 5.36112363 -0.00515483 -0.00936990 0.01902880 C 18.14271361 11.08663256 7.52560993 0.01227653 -0.01180813 0.00891758 C 19.01857895 10.21095680 7.52112265 -0.00406811 0.00161617 0.00005817 C 20.03519345 9.19366375 7.53868655 -0.01760359 0.01321922 0.00682333 C 20.53183075 8.69740235 8.77901193 -0.01847069 0.01984736 0.00612347 C 20.56740669 8.66016705 6.32855113 -0.01965684 0.01639503 0.01519599 C 21.52275776 7.70647092 8.81185362 -0.01666405 0.01718239 -0.00087769 H 20.11885285 9.10963063 9.71865984 0.00300449 -0.00096275 0.01678375 C 21.55804765 7.67041373 6.36614196 -0.02074182 0.01981474 0.00131897 H 20.18892573 9.03724939 5.35954798 -0.00458678 0.00695756 0.01884791 C 22.04278132 7.18651138 7.60256651 -0.01134278 0.01558712 0.00298793 H 21.90391184 7.32559156 9.77853382 -0.01556991 0.01477592 -0.00700110 H 21.98927899 7.23906326 5.44146304 -0.03107737 0.03020614 0.00594608 C 23.09855656 6.13173064 7.56492366 -0.02222679 0.02190607 0.03416221 O 23.58152502 5.64892739 6.53827919 -0.00057892 0.00074758 0.02311405 O 23.49307437 5.73797504 8.82344225 -0.00377163 0.00419530 0.01221578 H 24.18253549 5.04939557 8.64164055 0.01864786 -0.01951011 0.03023387