130 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=-811.4021512571104 dipole="0.06749443693245465 -0.06857948968833764 0.2638267501261174" magmom=0.0 pbc="F F F" C 11.93281905 18.84142661 9.66226861 -0.02332208 0.00369730 -0.00172603 C 11.49355750 17.45667404 9.66172862 0.00438527 -0.02238701 0.00295945 C 10.14169306 17.03556925 9.66299327 0.01342133 -0.00387512 0.00100663 H 7.49870611 13.17524594 9.66056766 -0.01155681 -0.00406291 -0.00081516 H 17.75010599 15.93423480 9.66023873 0.00906449 -0.00522618 0.00789845 H 17.78622301 13.19310291 9.65776131 -0.00867542 -0.02022245 -0.00086119 H 14.00320196 19.67932169 9.66082085 -0.00465245 0.00200625 -0.00030462 H 11.26764202 19.71996557 9.66166544 0.00187190 0.01525832 -0.00170036 H 7.45949125 15.91184655 9.66047669 -0.02176954 0.00347332 0.00072217 H 13.98063843 9.38991247 9.66153876 0.01117351 0.01388267 -0.00332505 H 11.23969532 9.42804447 9.66229367 -0.00063816 -0.00140048 0.00333519 C 13.30999682 10.26523765 9.66074448 0.03115943 -0.00035745 -0.00111487 C 13.74656941 11.64908707 9.65799063 0.01199291 0.00433579 -0.00276797 C 15.10838851 12.06851649 9.65437401 0.00657107 -0.00916772 0.00659773 C 11.93278667 10.28467895 9.66184525 -0.01918729 -0.00617243 0.00274457 C 11.53305018 11.68223182 9.66069814 -0.00728735 0.00870340 0.00015940 C 13.30943075 18.82351055 9.66152686 0.00892654 0.01162206 -0.00112032 C 10.18921778 12.12304017 9.66102106 -0.01554913 -0.01547869 0.00368530 C 16.89357684 15.24140175 9.66184622 0.00677933 -0.00521732 -0.00388865 C 13.71036967 17.42678363 9.66156838 0.00101336 -0.00257896 -0.00194543 C 15.49692968 15.64390773 9.66205453 0.00011745 -0.00296582 -0.00153854 C 16.91137915 13.86425629 9.65917486 -0.00436118 -0.02242206 -0.00555811 C 15.52726234 13.42970657 9.65779238 0.00291044 -0.00595765 -0.00200588 C 15.05646686 16.98813579 9.66256753 0.00005302 0.01659314 -0.00028096 C 8.33725629 15.24603695 9.66118575 0.00234318 -0.00244667 0.00112004 C 9.72238655 15.68416256 9.66251622 0.01006799 -0.01226216 0.00086845 C 8.35399510 13.86904303 9.66100823 -0.00747983 0.00697194 -0.00046629 C 9.75125633 13.46874832 9.66152852 -0.00973581 -0.00014735 0.00227713 N 12.59221585 16.60765860 9.66082898 0.00590660 -0.01789110 -0.00131757 N 12.65505150 12.50122569 9.65877428 0.00937740 0.00452315 -0.00045387 N 14.67706883 14.52220333 9.66003706 -0.00373277 -0.00839421 0.00007844 N 10.57068960 14.58573602 9.66262594 0.01230111 -0.01223504 -0.00487793 Zn 12.62530066 14.55292520 9.66278608 -0.00936043 0.00675011 -0.00588845 C 16.11021018 18.05538162 9.66247091 0.02141673 -0.00367638 -0.00041228 C 16.60606438 18.55531207 10.88193689 0.01470260 -0.00037660 0.00198843 C 16.60135449 18.55751610 8.44200113 0.01076762 0.00518049 -0.00376077 C 17.59529221 19.56084156 10.90347298 0.00329150 0.00380195 0.00145118 H 16.19973154 18.13934229 11.82204933 0.01648025 0.00248713 0.00412512 C 17.58862670 19.56468534 8.41827857 0.00173157 0.00607165 -0.00054377 H 16.19282671 18.14289114 7.50234451 0.01087045 0.00340220 -0.00287018 C 18.06215411 20.04924594 9.66033077 -0.00151223 0.00805999 0.00061338 H 18.83370155 20.84425206 9.65897888 0.01081196 0.00042224 0.00130404 C 18.15044377 20.12242129 12.23090373 0.00548959 0.00353120 -0.00197581 C 17.73777416 21.60879290 12.36449979 0.00148703 0.00241071 -0.00533134 C 17.61548064 19.35052279 13.45657878 0.00541278 0.00569953 0.00016277 C 19.69420964 20.01774503 12.23102838 0.00436781 0.00108633 -0.00290339 H 18.14789518 22.22134285 11.53060516 -0.00468584 0.01254609 -0.00436684 H 16.62980437 21.71738555 12.35466027 0.00481014 0.00624614 0.00011177 H 18.12022890 22.03496875 13.32094388 -0.00423715 0.01203603 -0.00750067 H 17.87693726 18.26922847 13.40844794 -0.00213588 0.00840691 0.01006164 H 18.06551472 19.76625917 14.38678386 -0.00323222 0.00208745 -0.00204114 H 16.50956473 19.43594054 13.55394743 0.00771371 0.00080176 0.00651401 H 20.10720331 20.39974305 13.19267881 0.00954955 -0.00052293 -0.00330991 H 20.02326187 18.96198385 12.10388529 0.01113312 0.00404826 -0.00004067 H 20.14536846 20.61755951 11.40960909 0.02212511 -0.00106609 0.00002392 C 18.14449305 20.12627259 7.09106130 0.00463908 0.00306753 0.00066216 C 19.67935847 19.93437361 7.05876393 0.00221489 0.00301774 0.00274390 C 17.54134204 19.41590041 5.86019047 0.00494331 0.00366685 -0.00060494 C 17.81575158 21.63573706 6.99709717 -0.00220581 0.00135691 0.00407543 H 20.17891513 20.48090771 7.88918970 0.01798183 -0.00217844 0.00428450 H 19.94703674 18.85759955 7.14911207 0.01044312 0.00688399 0.00119553 H 20.09952513 20.31772684 6.10063754 0.00569013 0.00157750 0.00269943 H 16.43765644 19.55180137 5.79913592 0.00694878 -0.00036223 -0.00169859 H 17.98170585 19.83958288 4.92890472 0.00260249 0.00187952 0.00364055 H 17.75676866 18.32357260 5.86695688 -0.00251722 0.00485007 -0.00747907 H 18.19874736 22.05858638 6.03934288 -0.00798366 0.00742685 0.00497059 H 16.71660284 21.80827465 7.03868216 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-0.01276791 -0.00428959 C 8.62419159 10.57246682 10.87997339 -0.00595739 -0.01523832 0.00642025 C 7.61351674 9.59086561 8.41801718 -0.00278811 -0.00504549 -0.00321135 H 9.03568503 10.98611923 7.50163266 -0.00204717 -0.01766986 -0.00580741 C 7.61737269 9.58509866 10.90283862 -0.00143549 -0.00730009 0.00335055 H 9.04008959 10.97942942 11.81978850 -0.00113454 -0.01751233 0.00607104 C 7.12714073 9.11826374 9.66013729 0.00062428 -0.00513924 0.00003987 H 6.33410888 8.34425596 9.65929493 -0.00511780 -0.00066790 0.00076003 C 7.05944828 9.02962571 12.23169099 -0.00211476 -0.00643796 0.00000743 C 7.19523943 7.48791719 12.24191857 0.00021907 -0.00583580 0.00085751 C 7.81315121 9.58564344 13.45889412 -0.00489544 -0.00309353 0.00144733 C 5.56593297 9.41768689 12.35439470 -0.00040223 -0.00237087 -0.00245289 H 6.61326181 7.01955673 11.41755720 0.00612709 -0.02221374 -0.00082285 H 8.25942281 7.18280226 12.12519307 -0.00466343 -0.01442165 0.00184389 H 6.81540911 7.07154786 13.20285860 0.00182133 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