106 Lattice="27.149700000000003 0.0 0.0 0.0 27.1465 0.0 0.0 0.0 19.3211" Properties=species:S:1:pos:R:3:forces:R:3 energy=-680.640068105764 dipole="-0.5123841734643289 0.5112608542208572 0.26491594462063833" magmom=0.0 pbc="F F F" C 11.90399844 18.82586389 9.66013850 -0.00542611 -0.00113936 -0.00108705 C 11.48903402 17.43367967 9.65988145 -0.00064198 -0.01513803 -0.00062963 C 10.13821420 17.00872105 9.65945032 0.01067798 -0.01081067 -0.00116372 H 7.43777701 13.19803584 9.66065816 0.00221122 -0.01929241 -0.00014883 H 17.74354345 15.92712262 9.66089490 0.02756113 -0.00742371 0.00351941 H 17.75253922 13.18968414 9.65924311 0.00803108 -0.01949048 -0.00479371 H 13.94873331 19.70945971 9.66059717 0.02139334 -0.00080261 -0.00000420 H 11.21226349 19.68298537 9.66023826 0.02063321 0.03266977 -0.00024923 H 7.46376454 15.93444439 9.66013603 -0.03244911 -0.01975925 -0.00021200 H 13.95698082 9.39432600 9.65919396 0.02025954 -0.00774222 -0.00453710 H 11.21929038 9.40372525 9.66095663 0.00804759 -0.02670273 0.00332116 C 13.27885693 10.26311122 9.65844755 0.01889847 0.01071427 -0.00553576 C 13.70253743 11.65235965 9.65599096 0.01176819 0.01581869 -0.00764788 C 15.06440324 12.08240686 9.65283910 -0.00025844 0.00162208 -0.00453849 C 11.90153442 10.26925645 9.66065340 0.02054941 -0.00965012 0.00009625 C 11.48711640 11.66145028 9.66096845 0.02056081 0.01762889 -0.00262840 C 13.28103742 18.83267383 9.66032444 -0.00841245 -0.00607763 0.00019179 C 10.14039443 12.09366611 9.66071679 0.00826788 0.01211987 0.00151899 C 16.87789169 15.24516862 9.66057495 0.01044516 -0.01925521 0.00042218 C 13.70578755 17.44141919 9.66032062 -0.02284175 -0.01996391 0.00101267 C 15.48578589 15.65980470 9.66085980 -0.01672608 -0.01936451 -0.00242967 C 16.88380606 13.86788610 9.65836975 -0.01033688 -0.01843871 -0.00578900 C 15.49448064 13.44429934 9.65571818 -0.01536198 -0.01050018 -0.00841269 C 15.05374938 17.00661548 9.66092525 -0.01312115 -0.00825700 0.00121179 C 8.32112721 15.24301690 9.66011177 -0.00006850 0.00768822 -0.00077611 C 9.71331742 15.65805020 9.65991131 0.01556729 0.00043330 -0.00045449 C 8.31444189 13.86604430 9.66035155 0.00412629 0.00655829 0.00001059 C 9.70576932 13.44155474 9.66037950 0.01993554 0.02342565 0.00054878 N 12.60173599 16.60340031 9.66011322 -0.01772793 -0.02348586 -0.00018998 N 12.60152960 12.49235134 9.65956746 0.02156760 0.01584824 -0.00610781 N 14.65476648 14.54542850 9.65932346 -0.01397782 -0.01890923 -0.00619717 N 10.54380984 14.54550058 9.66021892 0.02145211 0.01748469 -0.00057838 Zn 12.59988417 14.54725327 9.65993869 -0.00476048 0.00476194 -0.00214746 C 16.11249363 18.07056642 9.66073348 0.01700355 -0.00849687 0.00240996 C 16.62747234 18.58988803 10.87021334 0.02726197 0.02330245 -0.01816986 C 16.62712646 18.59034895 8.45127906 0.02680486 0.02173601 0.02137914 C 17.62181326 19.58783039 10.88434402 0.01972186 0.01417840 0.01348439 F 16.16523400 18.12656177 12.05663456 -0.01334895 -0.01122299 -0.00046863 C 17.62152349 19.58827610 8.43730946 0.02009413 0.01234528 -0.01304737 F 16.16507168 18.12671972 7.26490185 -0.01235356 -0.01100691 -0.00002726 C 18.11561861 20.08482863 9.66087391 0.00379386 0.00109319 0.00049429 F 19.06655319 21.03957275 9.66132934 0.01380593 0.01671137 0.00360868 F 18.10960050 20.07428982 12.05005412 0.00277905 0.00246067 0.01613323 F 18.10942482 20.07446380 7.27151561 0.00424639 0.00427589 -0.01801502 C 9.07456856 18.07234622 9.66003256 0.01003177 -0.00933281 -0.00064245 C 8.57493699 18.57168313 10.88068007 0.01167382 -0.00929932 -0.00896098 C 8.57520084 18.57240009 8.43967852 0.00832695 -0.01190721 0.00870335 C 7.57705235 19.57017594 10.90441344 -0.00423903 0.00465817 -0.00878368 H 8.98504379 18.16164294 11.82197874 -0.00735872 0.00727923 -0.00802541 C 7.57670759 19.57027857 8.41620694 -0.00503301 0.00424793 0.00838284 H 8.98540234 18.16251062 7.49835451 -0.00760325 0.00763223 0.00754021 C 7.09804476 20.04885922 9.66035251 0.00003045 0.00016500 0.00048317 H 6.31466384 20.83233077 9.66035053 -0.00656174 0.00608247 0.00079278 C 7.01800196 20.12829247 12.23558787 -0.00148803 0.00432892 -0.01354287 C 5.49437787 19.85822832 12.30251438 -0.00575274 0.00559591 -0.00990269 C 7.68249876 19.47609709 13.46820520 -0.00620938 0.00854831 -0.01136678 C 7.27219242 21.65447368 12.29849873 0.00164414 0.00809414 -0.01070248 H 4.95346525 20.35881778 11.46911709 -0.02032053 -0.00460166 -0.00999977 H 5.28244399 18.76707097 12.24174517 -0.01517620 0.00694684 -0.00612884 H 5.06958353 20.24080558 13.25936921 0.01933296 0.00568421 -0.00712180 H 8.78097860 19.65711804 13.49369872 -0.00872035 -0.00406696 -0.00172467 H 7.25182044 19.90864445 14.39962850 -0.00820025 0.01078968 -0.01069169 H 7.51057818 18.37645446 13.50125595 0.00542095 0.00579169 -0.00088437 H 6.88589596 22.07630135 13.25526737 0.00473044 -0.01588077 -0.00887997 H 8.36058881 21.87837716 12.23393938 0.00284561 0.01846521 -0.00332895 H 6.76242918 22.18783567 11.46562860 0.00941983 0.02323298 -0.00948481 C 7.01832739 20.12950686 7.08527657 -0.00497587 0.00231554 0.01451467 C 7.28466047 21.65371620 7.01968122 -0.00535025 0.00638539 0.00962448 C 7.67305584 19.46729658 5.85269508 -0.00795667 0.00763015 0.01261157 C 5.49264463 19.87282974 7.02142286 -0.00805037 -0.00110062 0.01078152 H 6.78242090 22.19286693 7.85327332 0.00208162 0.02092706 0.00896330 H 8.37537611 21.86785916 7.08099552 -0.00750491 0.01763637 0.00758402 H 6.90189578 22.07829162 6.06280656 -0.00660396 -0.01942367 0.00846938 H 7.49354428 18.36868881 5.82620028 0.00464292 0.00731358 0.00108621 H 7.24104951 19.89811361 4.92118230 -0.01098964 0.01031305 0.00904749 H 8.77259002 19.64062320 5.82160768 -0.00842774 -0.00477912 -0.00158603 H 5.07095415 20.25912615 6.06457192 0.01563728 -0.00554826 0.00988441 H 5.27040884 18.78398520 7.08549401 -0.01874046 -0.00088115 0.00218650 H 4.95823305 20.38158868 7.85417240 -0.02491607 -0.01105112 0.01206199 C 9.07649187 11.03527840 9.66015816 0.00808536 -0.01811260 -0.00149757 C 8.55745668 10.52061603 8.45040863 -0.02308267 -0.02621024 0.02118281 C 8.55650364 10.52090041 10.86947516 -0.02463937 -0.02988443 -0.02038745 C 7.55949930 9.52644942 8.43607426 -0.01237055 -0.01914010 -0.01550070 F 9.02107056 10.98316146 7.26430821 0.01190318 0.01388469 -0.00213719 C 7.55842465 9.52672131 10.88322190 -0.01205230 -0.02146742 0.00955815 F 9.02021879 10.98278368 12.05598923 0.01376108 0.01507564 -0.00049670 C 7.06237281 9.03254426 9.65937310 -0.00152363 -0.00379793 0.00123446 F 6.10777565 8.08157686 9.65774774 -0.01708556 -0.01563112 -0.01275834 F 7.07228432 9.03894295 12.04897231 -0.00445113 -0.00543499 0.02032869 F 7.07305663 9.03881511 7.27032073 -0.00277731 -0.00293976 -0.01618264 C 16.07831104 11.06879793 9.64906896 -0.01049082 0.01106190 -0.00087596 C 16.95269171 10.19452786 9.63851885 -0.01297110 0.01335216 0.00301795 C 17.96723766 9.18038029 9.65795431 -0.02073379 0.02064668 0.01534600 C 18.45961449 8.68858629 10.89922271 0.00260141 -0.00409864 0.00327519 C 18.49703290 8.65083512 8.44772559 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