142 Lattice="27.203590000000002 0.0 0.0 0.0 27.20041 0.0 0.0 0.0 19.3163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-878.2196644484325 dipole="-0.7769375754963677 0.7784852084084334 -0.15277842743483186" magmom=0.0 pbc="F F F" C 11.99633434 18.79620907 9.68185997 0.00106565 -0.00079481 0.00619696 C 11.56792974 17.40784684 9.69306025 0.01166039 -0.01086186 -0.00959562 C 10.21556808 16.98627265 9.70638677 -0.00130590 0.00201206 -0.00575602 H 7.55112647 13.14285129 9.63390089 -0.01056670 0.00391345 0.01374678 H 17.82647645 15.88828662 9.66602270 -0.00353570 0.00982569 0.00012635 H 17.82609869 13.14445459 9.65585029 0.01019505 0.01170446 -0.00478215 H 14.05908810 19.65073026 9.63448975 -0.00409309 0.01124618 0.01398111 H 11.32251959 19.66819305 9.69043334 -0.01508664 -0.02132252 0.00276601 H 7.53359265 15.87949613 9.69077715 0.02125888 0.01528195 0.00238676 H 14.05775641 9.37637968 9.65602218 -0.01163353 -0.01081549 -0.00533869 H 11.31390376 9.37598664 9.66522286 -0.00914928 0.00346377 -0.00003480 C 13.37259145 10.23943481 9.65534872 -0.00940171 0.00573511 -0.00222261 C 13.79142312 11.62760306 9.65404565 0.00558979 -0.01698767 -0.00034569 C 15.14943631 12.05289197 9.64823120 0.00060302 -0.00041991 0.00139469 C 11.99571270 10.24192360 9.66094459 0.00039956 -0.00668615 -0.00201244 C 11.57930154 11.63460936 9.66023623 0.00246209 -0.00251194 -0.00159891 C 13.37301655 18.78895854 9.65607871 0.00877317 0.00029659 0.00399050 C 10.23513106 12.06574435 9.65636989 0.01332188 0.00034082 0.00081677 C 16.96053721 15.20651432 9.66161252 0.00614504 -0.00198831 -0.00145828 C 13.78765499 17.39636457 9.65872222 0.00348763 0.01438947 0.00131355 C 15.56785218 15.62287743 9.66094849 0.00273843 -0.00272927 -0.00188014 C 16.96302454 13.82961358 9.65561128 -0.00715484 0.01118388 -0.00164839 C 15.57479511 13.41088642 9.65413777 0.01716809 -0.00531637 0.00013444 C 15.13673549 16.96705259 9.65725406 -0.00119563 -0.01344859 0.00044759 C 8.40554920 15.20567067 9.68170861 0.00255118 -0.00362949 0.00610138 C 9.79395478 15.63403608 9.69282572 0.01058306 -0.01101916 -0.00930792 C 8.41286794 13.82896034 9.65554005 0.00160881 -0.00668704 0.00398971 C 9.80557386 13.41462321 9.65793525 -0.01311718 -0.00265055 0.00185232 N 12.67649688 16.56918704 9.67447705 -0.00022933 -0.01438713 0.00109874 N 12.69317140 12.46781072 9.65812321 0.00223244 0.00885401 -0.00262638 N 14.73455498 14.50898943 9.65839698 -0.01010121 -0.00044558 -0.00265947 N 10.63275984 14.52567056 9.67386150 0.01426720 0.00063502 0.00141555 Zn 12.68278603 14.51938547 9.67220962 0.00528380 -0.00512202 -0.00671115 C 16.18707259 18.03697339 9.65818293 0.00567993 -0.00214926 0.00066822 C 16.67628187 18.54339444 10.87762763 0.00283532 -0.00514200 -0.00077148 C 16.67278554 18.54959043 8.44009812 -0.00217703 -0.00896693 -0.00669068 C 17.64186753 19.57093735 10.90093617 0.00831898 0.00282922 -0.00511697 H 16.27969188 18.12039353 11.81852550 0.00396046 -0.00029580 -0.00731056 C 17.63761329 19.57750077 8.41804442 0.00996921 0.00206603 0.00242115 H 16.27571385 18.12838721 7.49889911 -0.00321295 0.00289206 0.00042706 C 18.09937566 20.07381107 9.66004602 0.00432603 0.00501211 -0.00373086 H 18.85644287 20.88289231 9.66130686 0.00161824 0.00965222 -0.00243383 C 18.18499893 20.13829777 12.22998029 0.00550421 0.00862407 0.00728511 C 17.76483121 21.62208292 12.36083463 0.00410174 0.00510480 0.00030358 C 17.64538131 19.37082740 13.45593705 0.00833071 0.00967477 0.00633119 C 19.72951752 20.03363707 12.23888203 0.00776361 0.00509374 0.00060404 H 18.17025747 22.23831203 11.52770520 0.00313205 0.00527444 -0.01058438 H 16.65607860 21.72302462 12.35129256 0.00304573 0.00606705 -0.00558655 H 18.14265037 22.05142302 13.31774008 0.00370533 0.01114850 -0.00701900 H 17.90880575 18.28989845 13.41564704 0.00404720 0.00401495 0.00929885 H 18.09098303 19.79243012 14.38561795 -0.00222690 0.00286880 0.00283395 H 16.53916386 19.45410799 13.54753497 -0.00380461 0.00245941 0.00189290 H 20.13886466 20.41147854 13.20387531 0.01154524 0.00753456 0.00156740 H 20.05573835 18.97678594 12.11284895 0.01252483 0.00692772 0.00280740 H 20.18872771 20.63121052 11.42040633 0.00979406 0.00809574 -0.00142765 C 18.18341522 20.14309723 7.08925026 0.00493550 0.00579736 -0.00798467 C 19.71901966 19.94874141 7.04990689 0.00539817 0.00533206 -0.00303653 C 17.57717319 19.43324265 5.85945700 0.01405457 0.00970716 -0.00368775 C 17.84546948 21.65092700 6.99444504 0.00256471 0.00529868 -0.00236684 H 20.22485262 20.49192945 7.87857659 0.00695638 0.00637143 0.00437355 H 19.98247998 18.87068781 7.13883752 0.00889474 0.00733929 -0.00052276 H 20.13574527 20.32951816 6.08928713 0.00827413 0.00939013 0.00092844 H 16.47324243 19.56592956 5.80456141 0.00285995 0.00391863 -0.00144235 H 18.01263281 19.86195730 4.92820822 -0.00098287 0.00237398 -0.00283411 H 17.79484820 18.34160230 5.86064605 0.00803978 -0.00143887 -0.00336635 H 18.22151735 22.07481798 6.03451753 0.00112936 0.00915116 0.00339393 H 16.74460657 21.81362432 7.03616080 0.00263392 0.00638105 0.00337509 H 18.30680653 22.23009391 7.82512189 0.00415273 0.00693776 0.00646078 C 9.15168087 18.04993717 9.70061372 -0.01446610 0.01511729 0.03322489 C 8.63352539 18.56738340 10.89591360 -0.00661615 0.00626196 0.02280524 C 8.65686432 18.54479009 8.47547789 0.02938847 -0.02873378 -0.00380821 C 7.63185020 19.56868830 10.89484166 0.00889107 -0.00697638 -0.04673599 H 8.99390615 18.20659718 11.87821315 -0.00816525 0.00832052 -0.01706145 C 7.66071786 19.54063542 8.44731177 -0.00243701 0.00246632 0.02931593 H 9.06407318 18.13781146 7.53418600 -0.01752445 0.01793780 -0.00439548 C 7.12462377 20.07622978 9.66012146 -0.03300838 0.03264387 0.00588881 O 7.25779685 19.94239160 12.16879082 0.00681769 -0.00616559 0.03536933 O 7.15176560 20.04981692 7.26108301 0.00917517 -0.00977654 -0.00381575 O 6.14806676 21.05273373 9.76863093 -0.01275483 0.01299195 0.03771019 C 5.52863338 21.67244429 8.63047061 0.00561805 -0.00572737 -0.01642546 C 6.26200936 20.93780710 12.45293141 0.00339403 -0.00243042 -0.04258096 C 7.69090398 19.51142487 6.05322238 -0.01162755 0.01201198 -0.00596417 H 6.22407363 20.97509455 13.56367457 -0.01612082 0.01788070 0.01320084 H 5.26027481 20.65905550 12.05635422 -0.01570157 -0.01390091 -0.00261223 H 6.54017946 21.93990358 12.05669871 0.01576450 0.01528375 -0.00256732 H 4.80414263 22.39661845 9.06521030 0.00821223 -0.00827689 0.00913212 H 4.98313916 20.93886820 7.99567193 -0.01300352 0.00619656 0.01460094 H 6.26229877 22.21835732 7.99613563 -0.00604324 0.01305412 0.01481520 H 7.16311367 20.03907252 5.23104954 0.00357099 -0.00396814 -0.01310110 H 7.50600362 18.41356615 5.96905838 -0.00995080 -0.01748556 -0.01403965 H 8.78865724 19.69723043 5.96953212 0.01701381 0.00944940 -0.01425410 C 9.16562977 11.01545166 9.65784495 0.00241474 -0.00532864 0.00114815 C 8.65346795 10.52830978 8.44032838 0.00826392 0.00308666 -0.00567746 C 8.65858527 10.52807074 10.87769907 0.00487531 0.00043757 0.00239623 C 7.62626995 9.56275828 8.41922852 -0.00391194 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