118 Lattice="27.1361 0.0 0.0 0.0 27.2512 0.0 0.0 0.0 21.1177" Properties=species:S:1:pos:R:3:forces:R:3 energy=-774.6033983681165 dipole="-0.4289700318657021 0.4368265880184765 0.6611620002385266" magmom=0.0 pbc="F F F" C 11.50645466 19.31106097 10.15353415 0.00367272 -0.00018731 -0.01712594 C 11.08285581 17.93126891 10.29791746 0.01808815 0.00548546 0.01389044 C 9.73225799 17.51519252 10.36295247 0.01826381 -0.00351344 0.00586389 H 7.06679001 13.68747132 10.43491062 -0.01298421 0.00736622 0.00847332 H 17.33451400 16.40792657 10.30983164 0.02005170 -0.01454086 0.01213647 H 17.35251257 13.69476536 10.73231032 -0.01454343 -0.00412613 -0.02530598 H 13.55622004 20.17261951 10.02214530 -0.00870531 0.00054556 0.01054001 H 10.82780884 20.17319320 10.05968503 -0.00292859 0.02484200 -0.00477163 H 7.05562099 16.41816344 10.41226704 0.00162544 -0.00028586 -0.02469374 H 13.58417708 9.93417804 10.63842471 0.01796768 -0.02722548 -0.00305446 H 10.85904758 9.93184669 10.29157867 -0.01025866 -0.02086661 0.03313413 C 12.89675418 10.79428635 10.61558390 -0.01046395 -0.01027086 -0.02710237 C 13.30446662 12.18134356 10.72484320 0.00217932 0.01115233 -0.02866467 C 14.65938580 12.60661058 10.85953354 -0.00595752 0.00200899 -0.02146798 C 11.52889174 10.79201591 10.44935277 0.00017248 0.00329394 0.00564647 C 11.10355866 12.17919754 10.49095184 -0.02088499 0.00980657 0.02114335 C 12.88355132 19.31074748 10.15031964 -0.00071658 0.02072046 -0.01204213 C 9.75579434 12.60426799 10.48139955 0.00074941 0.01267666 0.03586902 C 16.47913398 15.73799480 10.49245477 0.00405832 0.00459166 -0.00120989 C 13.30406343 17.92960923 10.30552258 -0.01088837 0.00060053 0.02164231 C 15.08843818 16.16032590 10.51364067 0.00777241 0.02215500 -0.00206871 C 16.48529386 14.37443947 10.69132363 -0.00559446 0.00511290 -0.02979995 C 15.09617843 13.96211802 10.78812068 -0.01179076 -0.00360142 -0.03313575 C 14.65841231 17.50275451 10.38783246 -0.01085997 -0.01196987 -0.00635645 C 7.92587924 15.74350056 10.44970998 -0.00394517 -0.02007346 0.00908478 C 9.31440277 16.16809353 10.46926753 -0.00409301 0.00518303 0.00716295 C 7.93097038 14.36785816 10.46848531 -0.00305925 -0.02593245 0.02627920 C 9.32201010 13.95448037 10.51234902 -0.00473104 -0.00325042 0.00310788 N 12.19478548 17.09908732 10.37769073 -0.00314371 -0.02608005 0.01955824 N 12.20487452 13.01603336 10.63333862 0.00245949 -0.01166347 0.00915719 N 14.25909764 15.06016761 10.68795407 0.01990040 -0.01682457 -0.01783692 N 10.15450689 15.06228400 10.52908124 -0.00037030 0.01978107 -0.03682734 Zn 12.20319149 15.06446464 10.59103373 -0.01968885 0.00971871 -0.01119008 N 15.68449509 18.52053652 10.39604022 0.01185443 -0.03700843 0.02192608 C 16.04031419 19.17895486 9.19624189 -0.02080047 -0.00494923 -0.00725659 C 16.93827520 20.27931122 9.17626596 0.00478083 0.00964217 -0.01962375 C 15.54514405 18.71001288 7.95118033 -0.02479133 -0.01407880 -0.01101360 C 17.28636119 20.89492944 7.96216374 0.01178632 -0.00466550 0.01597025 H 17.37572507 20.65211656 10.12035971 0.00443302 -0.00937100 0.00730660 C 15.90950784 19.33760369 6.75127365 0.00929711 -0.02477600 -0.02897108 H 14.87106976 17.83395654 7.92454326 -0.00227120 0.00111010 0.01199143 C 16.77833712 20.44930336 6.72127211 0.00724621 -0.00472229 -0.00125445 H 17.99054738 21.75170220 7.98764576 -0.00978535 -0.00716178 -0.00740940 H 15.50702002 18.93659818 5.79866762 -0.01085585 0.01260147 -0.00121577 C 15.99001699 19.05875180 11.70002889 0.00338648 -0.01514344 -0.00960543 C 16.60595347 18.23425939 12.66930615 -0.01606094 -0.00444935 0.00166124 C 15.62496941 20.37207689 12.07169587 0.00586233 -0.00222798 0.01493914 C 16.84027981 18.70731038 13.96835208 -0.00019099 0.00995673 0.00544279 H 16.88810685 17.19927163 12.40333754 0.00061754 0.00030222 -0.00382005 C 15.86694124 20.83767721 13.37558465 0.00479364 0.00559733 -0.00991622 H 15.14056581 21.03626999 11.33186263 -0.01020584 0.02492704 0.01224404 C 16.47469634 20.01689610 14.35114514 -0.00726086 0.01402417 0.01531700 H 17.31603338 18.03299445 14.70810646 0.01659464 0.00359304 0.00870296 H 15.54715740 21.86229176 13.64911623 0.03054322 0.03498973 0.00385158 C 16.72666552 20.51300731 15.75634456 -0.02697667 0.00345805 0.00866911 H 16.28556859 19.82478650 16.51411206 -0.00126575 0.00953706 0.00024965 H 17.81795284 20.57422778 15.97475404 0.01985808 0.00812187 0.00495348 H 16.29156675 21.52354641 15.91528967 -0.00461414 0.01130947 0.01159990 C 17.13416916 21.13199704 5.42011948 -0.01941085 -0.00370113 0.01185455 H 18.19286472 21.47474524 5.41237948 0.02479798 0.00112681 -0.01971988 H 16.98377462 20.44692181 4.55580069 0.03194955 0.02218704 -0.00801935 H 16.49975672 22.03311660 5.23985415 -0.00455512 -0.00364640 0.00476205 C 8.66388547 18.57287715 10.28948182 -0.01741814 -0.02162695 0.01360725 C 8.06821359 19.07044973 11.47157142 0.00497300 0.01865684 0.01007048 C 8.22514369 19.07515094 9.04203610 0.01402965 0.00923401 0.00228801 C 7.05842680 20.04917180 11.40775704 -0.00597115 -0.01557104 -0.00345286 H 8.40602585 18.68583569 12.45331496 0.01208799 -0.01685125 -0.01521078 C 7.21196118 20.04992836 8.97874436 -0.01085768 -0.00996933 0.00704363 H 8.68566138 18.68906610 8.11278677 0.01303864 -0.01626742 -0.01989594 C 6.62488285 20.53994403 10.16127538 0.01700819 -0.00775554 -0.00584447 H 6.60557939 20.43131349 12.34313493 -0.00402655 -0.00026141 -0.00625043 H 6.86991627 20.42543360 7.99482179 0.02014222 0.00191921 -0.01085618 H 5.82771360 21.30704288 10.11204085 0.00931923 -0.01738214 -0.00736614 N 8.73523035 11.58359898 10.49626482 0.01422517 0.01951139 0.03998406 C 8.10174155 11.20750657 9.28758523 0.01382818 -0.00086712 -0.01039229 C 7.12867523 10.17552470 9.23588691 -0.01118819 0.00018377 -0.01937288 C 8.47050642 11.82486093 8.06253104 0.01702065 0.00823902 -0.01583657 C 6.52813385 9.81857670 8.01720479 0.00612811 -0.01694686 -0.03821287 H 6.84366207 9.63763880 10.15773293 0.00805142 -0.00084486 0.02490282 C 7.87269373 11.43904273 6.85391324 0.01712511 -0.02329640 -0.00550453 H 9.24916475 12.60962521 8.05450351 -0.01171957 0.00250330 0.02152245 C 6.87608925 10.43916479 6.79702587 0.02219315 0.00094806 -0.00766045 H 5.76839314 9.01104107 8.01752508 0.00032022 -0.00365691 0.00323822 H 8.20739023 11.92967214 5.91720385 -0.02948747 0.02324537 0.02149202 C 8.21224091 11.25602227 11.79319292 -0.00307947 0.01287837 -0.00753586 C 9.09640974 10.86319406 12.82441381 -0.00135336 0.01858130 0.00937975 C 6.83645966 11.37881660 12.10104678 0.00054786 -0.01417262 0.01407991 C 8.62026198 10.61292747 14.12076721 -0.03564359 0.00534060 0.01547107 H 10.17525887 10.76110630 12.60650036 0.01582328 0.00935479 0.00585916 C 6.36941447 11.11113311 13.39740661 -0.00339499 0.00421922 0.01098310 H 6.12479333 11.68950323 11.31294763 -0.00790113 0.00805977 0.00894968 C 7.24883877 10.72861488 14.43749484 -0.00189592 -0.03308320 0.03365738 H 9.33910976 10.31656450 14.91050203 0.00116154 -0.00902864 -0.00064787 H 5.28966726 11.23186697 13.61738144 -0.01293805 -0.01870078 -0.01480346 C 6.73552342 10.42662196 15.82707184 -0.00551276 0.01030173 0.01830220 H 6.35754675 9.37895291 15.89909526 -0.00512024 -0.00060382 0.00072675 H 7.53325752 10.54245060 16.59503612 -0.00446818 -0.00135084 -0.02383162 H 5.89098800 11.09668046 16.10475783 -0.01049275 0.00423527 0.01256239 C 6.23155214 10.05471817 5.48252406 0.01405387 0.00154331 0.02768336 H 6.99607370 9.92761376 4.68111094 -0.02207079 -0.00155794 -0.00185505 H 5.66630288 9.10002388 5.56592222 -0.00942566 -0.00365590 0.01582403 H 5.51662686 10.83511080 5.12607790 0.01305745 -0.00097255 0.01868481 C 15.65883570 11.58680476 10.97706187 0.00505655 0.00066728 -0.00505175 C 16.51954956 10.70376562 11.07119122 0.01713269 0.01448189 -0.01574684 C 17.52494020 9.68252903 11.02303244 0.00673772 0.00707306 -0.02344146 C 18.08992965 9.12008410 12.20092093 0.00097386 -0.00038624 0.00386860 C 17.97188713 9.21776962 9.75282505 -0.00723841 -0.00064825 -0.00634032 C 19.06780852 8.11869169 12.10917133 -0.00751909 -0.01218560 -0.01792392 H 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