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=-812.8882878034168 dipole="-0.4263929910447883 0.4268128715854419 0.2625803544517057" magmom=0.0 pbc="F F F" C 11.92386539 18.84351357 9.66281879 0.00334039 0.00150763 0.00378145 C 11.48703824 17.45738119 9.66259150 -0.00300196 0.00124906 0.00028264 C 10.13359801 17.04236779 9.66422356 0.00804774 -0.00540065 0.00536375 H 7.49645359 13.18024388 9.65979864 -0.01672970 -0.00345356 -0.00023262 H 17.74222737 15.94125047 9.65937444 0.00664923 -0.01061188 0.00295145 H 17.78395435 13.19756246 9.65655837 -0.00895230 -0.01413391 -0.00281810 H 13.99495568 19.68282198 9.66223444 -0.00302571 0.01452492 -0.00015993 H 11.25490898 19.71970941 9.66429597 0.00513024 -0.01293330 0.00099343 H 7.45950508 15.91993674 9.66127156 0.00307625 0.00080541 -0.00236650 H 13.97815111 9.39041269 9.66094811 0.01314100 0.00384441 -0.00167354 H 11.23490762 9.43012238 9.66223789 0.00317555 -0.00843517 0.00189521 C 13.30747874 10.26549367 9.66062935 0.00208278 0.00954209 -0.00302571 C 13.74473022 11.64938582 9.65803389 0.00091009 0.01005131 0.00153242 C 15.10620687 12.06991903 9.65577287 0.00801545 -0.00916782 0.00107066 C 11.92949362 10.28552067 9.66156722 0.00336248 0.00425642 0.00053084 C 11.53075517 11.68362888 9.66044966 -0.01417731 0.00267543 0.00218842 C 13.30130321 18.82717611 9.66188014 0.01572008 -0.00611453 0.00174636 C 10.18798440 12.12544145 9.66145042 -0.01635705 -0.00430512 0.00122179 C 16.88766505 15.24575178 9.66114094 0.00399864 -0.00661933 -0.00260675 C 13.70461301 17.43072066 9.66185261 0.01089975 -0.00399975 -0.00043403 C 15.49060350 15.64569455 9.66379890 0.00741231 0.01251717 -0.00140853 C 16.90833455 13.86806188 9.65883245 -0.00621908 -0.01634657 -0.00247125 C 15.52481080 13.43120349 9.66009132 -0.00689292 -0.00707045 -0.00070848 C 15.05090428 16.98978816 9.66291764 0.00552350 0.00927518 0.00165973 C 8.33560595 15.25143538 9.66212956 -0.00243347 -0.01247314 -0.00032322 C 9.72113349 15.68853211 9.66422004 -0.00319524 -0.00473728 -0.00064093 C 8.35183063 13.87390323 9.66125760 0.00213964 -0.00054145 0.00055502 C 9.74844858 13.47185486 9.66266977 -0.00600563 -0.00996444 -0.00140766 N 12.58869018 16.61013596 9.66151931 0.00068216 -0.01349737 -0.00056595 N 12.65389535 12.50180717 9.65864031 -0.01201098 0.01111875 0.00111716 N 14.67266247 14.52166499 9.66474885 -0.00480506 0.01260805 -0.00498605 N 10.56848086 14.58722351 9.66469932 0.00898893 -0.00806343 -0.00589903 Zn 12.62119046 14.55508634 9.66420948 -0.00080907 -0.00441090 -0.00455762 C 16.10454349 18.05684318 9.66258881 0.01878445 -0.00083649 0.00089698 C 16.60183171 18.55619353 10.88181717 0.01622750 -0.00068340 0.00337420 C 16.59675464 18.55873814 8.44263868 0.01136951 0.00240988 -0.00284151 C 17.59326641 19.55969646 10.90330357 -0.00503085 0.00616011 -0.00389264 H 16.19574816 18.13947560 11.82160742 0.01642459 0.00309176 0.00934903 C 17.58649397 19.56363980 8.41854132 -0.00587565 0.00576259 0.00347970 H 16.18871406 18.14318746 7.50339553 0.00750772 0.00464696 -0.00934298 C 18.06098984 20.04789538 9.66035800 0.00204215 0.00889829 -0.00004605 H 18.83320901 20.84263156 9.65907832 0.00512471 -0.00843918 0.00098855 C 18.14929753 20.12149976 12.22992645 0.00578015 0.00728819 0.00348147 C 17.73757302 21.60848765 12.36392089 0.00351288 0.00164347 -0.00479564 C 17.61551559 19.35137003 13.45793375 0.00503731 0.00509886 -0.00157208 C 19.69340000 20.01718582 12.23036141 0.00326678 0.00388371 -0.00211750 H 18.14706202 22.22187089 11.53006434 -0.00329763 0.00506895 -0.00020649 H 16.62971200 21.71806045 12.35490292 0.00321027 0.00382722 0.00029308 H 18.12073964 22.03344171 13.32072537 -0.00378876 0.01461201 -0.00986803 H 17.87639128 18.26978680 13.41278602 0.00068999 0.00942639 0.00265441 H 18.06831344 19.76942585 14.38564484 -0.00422263 0.00073503 0.00668534 H 16.50976274 19.43686361 13.55898177 0.01463324 0.00421218 -0.00194459 H 20.10422853 20.39953113 13.19283853 0.01758943 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0.00211650 -0.00010794 H 18.28174069 22.20673214 7.83036420 -0.00797342 0.01176456 -0.00289132 C 9.06797584 18.10499259 9.66388788 -0.00722260 0.00925297 0.00432452 C 8.55837434 18.61668598 10.88042860 -0.00925004 0.00885444 -0.00263944 C 8.55867222 18.61396468 8.44576809 -0.01422980 0.00781429 0.00836323 C 7.56519922 19.61429387 10.87815224 -0.00113152 0.00213336 -0.00579347 H 8.94905973 18.22599358 11.84020313 0.01795591 -0.01952255 -0.01187326 C 7.56570131 19.61180607 8.44499167 -0.00389959 -0.00243627 0.00577019 H 8.95116563 18.22263208 7.48713694 0.01457799 -0.02416109 0.01596768 C 7.06650237 20.11668382 9.66080498 -0.01427942 0.00809547 -0.00168021 H 7.17625786 20.00490815 11.83855013 0.00742406 -0.00620579 0.00308362 H 7.17858737 20.00174925 7.48367576 0.00666076 -0.00887132 -0.00400330 H 6.28530133 20.90187181 9.65979838 0.01788283 -0.01554995 0.00011013 C 9.12183660 11.07173362 9.66086857 -0.00181418 -0.01871067 0.00043252 C 8.61958201 10.58019476 8.44112830 0.00027969 -0.01318557 -0.00175992 C 8.62194342 10.57634043 10.88011501 0.00194034 -0.01679389 0.00216204 C 7.61341732 9.59294600 8.41802701 -0.00504088 -0.00035553 0.00503374 H 9.03429918 10.99040495 7.50238582 -0.00430956 -0.01642971 -0.00845994 C 7.61726122 9.58718779 10.90272285 -0.00348883 -0.00467999 -0.00288337 H 9.03848446 10.98417308 11.81929755 -0.00352492 -0.02170913 0.00786708 C 7.12768150 9.11938632 9.66007660 -0.00494216 -0.00826724 0.00064016 H 6.33592611 8.34402416 9.65933197 -0.00293541 0.00035536 0.00054657 C 7.06036162 9.03077401 12.23103079 -0.00655080 -0.00903622 0.00714828 C 7.19606658 7.48868417 12.24156275 -0.00305430 -0.00429585 0.00072466 C 7.81284110 9.58552641 13.46023402 -0.00431997 -0.00041568 -0.00245514 C 5.56651630 9.41813756 12.35475139 -0.00265432 -0.00509508 -0.00092018 H 6.61448027 7.01904995 11.41725575 0.00647531 -0.01445276 0.00786826 H 8.26011412 7.18274254 12.12518622 -0.00428416 -0.01023341 0.00318894 H 6.81619030 7.07434024 13.20340210 0.00025294 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