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0.128757 H 13.690801 29.114867 27.942777 0.164700 H 14.825179 29.792071 28.753908 0.155339 H 13.387648 29.733396 29.331323 0.176402 H 13.563641 11.192185 28.265854 0.170564 H 13.297200 34.886992 29.592535 0.172011 H 14.732244 10.490532 29.008245 0.168469 H 12.536832 8.947879 24.182703 0.163766 H 13.358319 32.092612 23.983357 0.177668 H 11.837665 32.014379 24.285813 0.167212 H 12.918252 29.254221 26.423624 0.124692 H 29.772540 17.394589 32.761445 0.118036 H 28.872862 17.213676 30.671751 0.137323 H 32.332224 15.959505 29.235087 0.126043 H 33.322359 16.235764 31.372899 0.110557 H 26.660354 23.308520 19.962072 0.112248 H 26.660351 22.406395 22.134254 0.139335 H 25.513744 18.805235 20.615101 0.157806 H 25.552863 19.736697 18.449794 0.121059 H 29.833667 19.824703 27.660943 0.167244 H 30.987602 19.169502 28.465200 0.159510 H 29.559850 19.233066 29.063237 0.184151 H 28.359463 17.313917 23.942113 0.162812 H 27.640695 15.961953 24.196451 0.168753 H 29.127121 15.976622 23.749642 0.164049 H 29.721195 13.282472 28.018391 0.160952 H 29.510945 14.047687 29.351945 0.172003 H 30.916694 14.001237 28.698916 0.163404 H 29.525616 13.820325 25.110692 0.123801 H 28.977995 19.741582 26.196783 0.131394 H 29.513401 19.091271 24.890724 0.129910 H 23.002954 19.802703 23.612162 0.165955 H 23.680161 20.937081 22.801031 0.155744 H 23.621484 19.499551 22.223615 0.176838 H 29.528072 19.675575 23.289084 0.169714 H 28.775080 19.409094 21.962404 0.172735 H 28.826423 20.844180 22.546693 0.169676 H 27.283760 18.648764 27.372235 0.163192 H 25.980693 19.470210 27.571581 0.178086 H 25.902458 17.949557 27.269125 0.166725 H 23.142304 19.030151 25.131314 0.124138 H 31.347003 31.500969 32.761445 0.116965 H 32.246684 31.681884 30.671751 0.137054 H 28.787323 32.936057 29.235087 0.124744 H 27.797186 32.659796 31.372899 0.110876 H 10.011406 25.587055 19.962072 0.111109 H 10.011406 26.489177 22.134254 0.136454 H 11.158015 30.090339 20.615101 0.157481 H 11.118899 29.158879 18.449794 0.121556 H 31.285883 29.070861 27.660943 0.167236 H 30.131947 29.726062 28.465200 0.158943 H 31.559698 29.662497 29.063237 0.184264 H 32.760092 31.581653 23.942113 0.163473 H 9.031059 32.933616 24.196451 0.169625 H 31.992390 8.471147 23.749642 0.164681 H 31.398311 11.165292 28.018391 0.159983 H 31.608603 34.847875 29.351945 0.172018 H 30.202812 10.446527 28.698916 0.162851 H 31.593894 10.627443 25.110692 0.123864 H 32.141557 29.153985 26.196783 0.131664 H 31.606152 29.804297 24.890724 0.128757 H 13.668801 29.092867 23.612162 0.164700 H 12.991595 27.958489 22.801031 0.155339 H 13.050273 29.396020 22.223615 0.176402 H 31.591483 29.219996 23.289084 0.170564 H 7.896677 29.486478 21.962404 0.172011 H 32.293134 28.051391 22.546693 0.168469 H 33.835790 30.246801 27.372235 0.163766 H 10.691057 29.425354 27.571581 0.177668 H 10.769292 30.946008 27.269125 0.167212 H 13.529449 29.865416 25.131314 0.124692 H 13.165150 11.436671 15.576465 0.117531 H 13.346064 10.536993 13.486772 0.136696 H 14.600243 13.996358 12.050108 0.125506 H 14.323983 14.986492 14.187919 0.111346 H 7.251230 8.324474 2.777093 0.111202 H 8.153353 8.324473 4.949274 0.136981 H 11.754513 7.177872 3.430122 0.158053 H 10.823053 7.216990 1.264814 0.121427 H 10.735042 11.497794 10.475964 0.166883 H 11.390245 12.651729 11.280221 0.158134 H 11.326678 11.223977 11.878258 0.183172 H 13.245831 10.023594 6.757134 0.162133 H 14.597793 9.304828 7.011472 0.170074 H 14.583127 10.791255 6.564662 0.163647 H 17.277273 11.385334 10.833411 0.161004 H 16.512056 11.175082 12.166965 0.172672 H 16.558510 12.580831 11.513936 0.163032 H 16.739423 11.189753 7.925713 0.122524 H 10.818164 10.642122 9.011803 0.131424 H 11.468478 11.177529 7.705745 0.129511 H 10.757036 4.667081 6.427182 0.164951 H 9.622660 5.344285 5.616051 0.155025 H 11.060191 5.285611 5.038636 0.176938 H 10.884176 11.192199 6.104105 0.168469 H 11.150657 10.439208 4.777424 0.172121 H 9.715571 10.490548 5.361714 0.169318 H 11.910977 8.947888 10.187256 0.162379 H 11.089529 7.644820 10.386602 0.176111 H 12.610182 7.566588 10.084146 0.165458 H 11.529586 4.806432 7.946335 0.125094 H 23.506572 13.011109 15.576465 0.116629 H 23.325662 13.910790 13.486772 0.136174 H 22.071484 10.451427 12.050108 0.124897 H 22.347741 9.461290 14.187919 0.111561 H 4.972709 16.123322 2.777093 0.112647 H 4.070584 16.123321 4.949274 0.137448 H 24.917226 17.269924 3.430122 0.157214 H 1.400888 17.230809 1.264814 0.121042 H 25.936687 12.949993 10.475964 0.166829 H 25.281483 11.796056 11.280221 0.158657 H 25.345050 13.223807 11.878258 0.184315 H 23.425903 14.424198 6.757134 0.163717 H 22.073941 15.142963 7.011472 0.170985 H 22.088607 13.656537 6.564662 0.164890 H 19.394456 13.062453 10.833411 0.159650 H 20.159671 13.272703 12.166965 0.171484 H 20.113218 11.866955 11.513936 0.162555 H 19.932309 13.258037 7.925713 0.123236 H 25.853567 13.805667 9.011803 0.132067 H 25.203255 13.270261 7.705745 0.129076 H 25.914699 19.780711 6.427182 0.164305 H 2.601276 19.103507 5.616051 0.155217 H 25.611546 19.162182 5.038636 0.176419 H 25.787559 13.255593 6.104105 0.169152 H 25.521080 14.008586 4.777424 0.171635 H 2.508365 13.957246 5.361714 0.167951 H 24.760752 15.499899 10.187256 0.163163 H 25.582201 16.802966 10.386602 0.177797 H 24.061548 16.881199 10.084146 0.166010 H 25.142147 19.641357 7.946335 0.125213 C 18.580359 29.337339 32.046550 0.084535 C 19.093763 29.239549 30.788609 -0.138301 C 18.387222 28.887501 29.709393 0.178667 C 17.089043 28.530563 29.949982 -0.185588 C 16.502295 28.652802 31.235419 0.050701 C 22.491981 10.170272 20.092678 0.080442 C 22.467531 9.632420 21.391862 -0.189561 C 22.785350 8.287790 21.591208 0.167971 C 23.152066 7.481014 20.491370 -0.148963 C 23.152068 8.067762 19.205933 0.059782 C 18.922629 28.777487 28.320846 -0.114440 C 19.167110 30.004767 27.633447 0.084829 C 19.753858 29.972986 26.341137 -0.000228 C 19.988555 28.696811 25.743099 0.065096 C 19.753853 27.474421 26.451120 -0.008154 C 19.240449 27.520871 27.757179 0.079175 C 18.824843 31.342062 28.265854 -0.529889 C 20.438395 28.652806 24.265191 -0.516779 C 18.922625 26.264253 28.527066 -0.522132 C 20.032566 31.249162 25.578123 -0.288942 C 22.550689 31.276054 25.612493 0.083824 C 23.758411 31.456968 25.028204 0.004055 C 23.861093 31.916588 23.667154 0.097469 C 22.736495 32.124394 23.007251 -0.111255 C 21.433427 31.855468 23.564044 0.048896 C 21.396754 31.439855 24.925094 0.006876 C 25.181276 32.246633 23.014125 -0.523160 C 20.118136 32.148842 22.759787 -0.519000 C 22.516461 30.975345 27.097276 -0.512896 C 18.091385 19.558219 32.046550 0.084493 C 17.577983 19.656011 30.788609 -0.137979 C 18.284525 20.008061 29.709393 0.172793 C 19.582704 20.364998 29.949982 -0.183438 C 20.169450 20.242758 31.235419 0.049199 C 14.179736 14.277502 20.092678 0.083009 C 14.204184 14.815353 21.391862 -0.189448 C 13.886365 16.159982 21.591208 0.167428 C 13.519650 16.966760 20.491370 -0.150047 C 13.519650 16.380014 19.205933 0.060339 C 17.749120 20.118076 28.320846 -0.111715 C 17.504640 18.890797 27.633447 0.084538 C 16.917894 18.922580 26.341137 0.000107 C 16.683197 20.198756 25.743099 0.063444 C 16.917898 21.421145 26.451120 -0.006781 C 17.431301 21.374694 27.757179 0.079197 C 17.846906 17.553502 28.265854 -0.528517 C 16.233359 20.242763 24.265191 -0.512933 C 17.749124 22.631310 28.527066 -0.525155 C 16.639187 17.646406 25.578123 -0.289097 C 14.121064 17.619513 25.612493 0.082182 C 12.913342 17.438600 25.028204 0.005055 C 12.810662 16.978982 23.667154 0.096399 C 13.935260 16.771176 23.007251 -0.110099 C 15.238328 17.040102 23.564044 0.049797 C 15.275000 17.455713 24.925094 0.007935 C 11.490480 16.648937 23.014125 -0.524101 C 16.553620 16.746728 22.759787 -0.520977 C 14.155290 17.920220 27.097276 -0.509088 C 11.001543 24.203312 14.861570 0.083801 C 10.903752 23.689909 13.603630 -0.140216 C 10.551705 24.396452 12.524413 0.177138 C 10.194769 25.694630 12.765003 -0.186978 C 10.317009 26.281376 14.050439 0.051920 C 16.282269 20.291672 2.907699 0.081270 C 15.744416 20.316119 4.206883 -0.191821 C 14.399786 19.998298 4.406229 0.166279 C 13.593009 19.631581 3.306390 -0.149686 C 14.179757 19.631582 2.020954 0.061176 C 10.441690 23.861046 11.135867 -0.113664 C 11.668970 23.616568 10.448468 0.084408 C 11.637187 23.029822 9.156157 -0.001037 C 10.361012 22.795123 8.558120 0.065288 C 9.138622 23.029822 9.266141 -0.006810 C 9.185073 23.543225 10.572199 0.078408 C 13.006264 23.958837 11.080875 -0.530730 C 10.317006 22.345285 7.080212 -0.512770 C 7.928456 23.861046 11.342086 -0.524314 C 12.913362 22.751117 8.393144 -0.288854 C 12.940251 20.232994 8.427514 0.082430 C 13.121163 19.025273 7.843225 0.004804 C 13.580782 18.922593 6.482174 0.095253 C 13.788591 20.047192 5.822271 -0.106618 C 13.519667 21.350260 6.379064 0.047572 C 13.104053 21.386930 7.740115 0.008198 C 13.910825 17.602412 5.829145 -0.525895 C 13.813043 22.665552 5.574807 -0.522600 C 12.639542 20.267220 9.912296 -0.513704 C 25.670224 24.692268 14.861570 0.083851 C 25.768017 25.205673 13.603630 -0.140197 C 26.120064 24.499132 12.524413 0.181162 C 26.477000 23.200954 12.765003 -0.186676 C 26.354759 22.614206 14.050439 0.052449 C 20.389471 4.156124 2.907699 0.081688 C 20.927321 4.131676 4.206883 -0.188099 C 22.271951 4.449497 4.406229 0.167529 C 23.078730 4.816214 3.306390 -0.150246 C 22.491983 4.816215 2.020954 0.060910 C 26.230081 25.034540 11.135867 -0.115263 C 25.002803 25.279019 10.448468 0.086243 C 25.034587 25.865767 9.156157 -0.000087 C 26.310763 26.100466 8.558120 0.064618 C 27.533152 25.865766 9.266141 -0.007457 C 27.486699 25.352362 10.572199 0.078168 C 23.665507 24.936749 11.080875 -0.531392 C 26.354770 26.550306 7.080212 -0.514616 C 4.295515 25.034540 11.342086 -0.522523 C 23.758413 26.144472 8.393144 -0.289153 C 23.731481 4.214795 8.427514 0.083737 C 23.550570 5.422517 7.843225 0.004958 C 23.090953 5.525199 6.482174 0.097032 C 22.883145 4.400600 5.822271 -0.110657 C 23.152068 3.097532 6.379064 0.049408 C 23.567680 3.060860 7.740115 0.007473 C 22.760910 6.845380 5.829145 -0.523809 C 22.858735 26.230041 5.574807 -0.521692 C 24.032188 4.180567 9.912296 -0.514918 C 6.356461 19.558239 2.323409 0.083801 C 6.869864 19.656029 3.581350 -0.140216 C 6.163323 20.008077 4.660566 0.177138 C 4.865145 20.365015 4.419977 -0.186978 C 4.278399 20.242776 3.134540 0.051920 C 10.268092 14.277506 14.277281 0.081270 C 10.243646 14.815358 12.978097 -0.191821 C 10.561470 16.159988 12.778751 0.166279 C 10.928187 16.966764 13.878589 -0.149686 C 10.928185 16.380016 15.164026 0.061176 C 6.698729 20.118091 6.049113 -0.113664 C 6.943204 18.890811 6.736512 0.084408 C 7.529950 18.922592 8.028822 -0.001037 C 7.764651 20.198767 8.626860 0.065288 C 7.529955 21.421157 7.918839 -0.006810 C 7.016552 21.374707 6.612780 0.078408 C 6.600933 17.553516 6.104105 -0.530730 C 8.214490 20.242772 10.104768 -0.512770 C 6.698733 22.631325 5.842893 -0.524314 C 7.808653 17.646416 8.791836 -0.288854 C 10.326776 17.619524 8.757466 0.082430 C 11.534497 17.438610 9.341755 0.004804 C 11.637176 16.978990 10.702805 0.095253 C 10.512576 16.771184 11.362708 -0.106618 C 9.209509 17.040110 10.805915 0.047572 C 9.172839 17.455723 9.444865 0.008198 C 12.957356 16.648945 11.355834 -0.525895 C 7.894216 16.746736 11.610172 -0.522600 C 10.292551 17.920233 7.272683 -0.513704 C 5.867479 4.889559 2.323409 0.083851 C 5.354074 4.791767 3.581350 -0.140197 C 6.060614 4.439717 4.660566 0.181162 C 7.358792 4.082780 4.419977 -0.186676 C 7.945540 4.205020 3.134540 0.052449 C 26.403633 10.170276 14.277281 0.081688 C 26.428080 9.632425 12.978097 -0.188099 C 26.110257 8.287796 12.778751 0.167529 C 25.743537 7.481018 13.878589 -0.150246 C 25.743538 8.067764 15.164026 0.060910 C 5.525206 4.329702 6.049113 -0.115263 C 5.280730 5.556981 6.736512 0.086243 C 4.693982 5.525198 8.028822 -0.000087 C 4.459281 4.249022 8.626860 0.064618 C 4.693978 3.026633 7.918839 -0.007457 C 5.207382 3.073084 6.612780 0.078168 C 5.623002 6.894276 6.104105 -0.531392 C 4.009440 4.205015 10.104768 -0.514616 C 5.525245 26.264268 5.842893 -0.522523 C 4.415279 6.801372 8.791836 -0.289153 C 26.344956 6.828265 8.757466 0.083737 C 25.137234 7.009178 9.341755 0.004958 C 25.034553 7.468796 10.702805 0.097032 C 26.159152 7.676602 11.362708 -0.110657 C 27.462220 7.407676 10.805915 0.049408 C 27.498892 6.992065 9.444865 0.007473 C 23.714372 7.798841 11.355834 -0.523809 C 4.329711 7.701050 11.610172 -0.521692 C 26.379183 6.527558 7.272683 -0.514918 C 23.225441 24.692266 19.508389 0.084493 C 23.127650 25.205669 20.766329 -0.137979 C 22.775599 24.499126 21.845546 0.172793 C 22.418659 23.200948 21.604956 -0.183439 C 22.540898 22.614202 20.319520 0.049199 C 28.506165 28.603906 31.462260 0.083009 C 27.968314 28.579459 30.163076 -0.189448 C 26.623685 28.897280 29.963730 0.167428 C 25.816908 29.263997 31.063569 -0.150047 C 26.403654 29.263996 32.349005 0.060339 C 22.665584 25.034532 23.234092 -0.111715 C 23.892864 25.279010 23.921491 0.084538 C 23.861082 25.865756 25.213802 0.000107 C 22.584907 26.100455 25.811839 0.063444 C 21.362517 25.865756 25.103818 -0.006781 C 21.408967 25.352353 23.797760 0.079197 C 25.230158 24.936741 23.289084 -0.528517 C 22.540900 26.550293 27.289747 -0.512933 C 20.152350 25.034532 23.027873 -0.525155 C 25.137257 26.144461 25.976815 -0.289096 C 25.164154 28.662584 25.942445 0.082182 C 25.345069 29.870305 26.526734 0.005056 C 25.804687 29.972985 27.887785 0.096399 C 26.012491 28.848386 28.547688 -0.110099 C 25.743564 27.545318 27.990895 0.049796 C 25.327952 27.508648 26.629844 0.007934 C 26.134735 31.293166 28.540814 -0.524101 C 26.036934 26.230026 28.795152 -0.520979 C 24.863447 28.628358 24.457663 -0.509088 C 13.446320 24.203310 19.508389 0.084535 C 13.544109 23.689905 20.766329 -0.138301 C 13.896158 24.396446 21.845546 0.178667 C 14.253098 25.694624 21.604956 -0.185588 C 14.130861 26.281372 20.319520 0.050701 C 32.613380 20.291654 31.462260 0.080442 C 33.151233 20.316102 30.163076 -0.189561 C 34.495861 19.998281 29.963730 0.167971 C 35.302637 19.631564 31.063569 -0.148963 C 34.715889 19.631563 32.349005 0.059782 C 14.006171 23.861038 23.234092 -0.114440 C 12.778891 23.616559 23.921491 0.084829 C 12.810671 23.029811 25.213802 -0.000228 C 14.086846 22.795112 25.811839 0.065097 C 15.309236 23.029812 25.103818 -0.008154 C 15.262787 23.543216 23.797760 0.079175 C 11.441597 23.958829 23.289084 -0.529889 C 14.130850 22.345272 27.289747 -0.516779 C 16.519405 23.861038 23.027873 -0.522132 C 11.534495 22.751106 25.976815 -0.288942 C 11.507598 20.232983 25.942445 0.083824 C 11.326682 19.025261 26.526734 0.004055 C 10.867062 18.922579 27.887785 0.097469 C 10.659257 20.047178 28.547688 -0.111255 C 10.928186 21.350246 27.990895 0.048896 C 11.343799 21.386918 26.629844 0.006877 C 10.537014 17.602398 28.540814 -0.523160 C 10.634814 22.665537 28.795152 -0.519000 C 11.808307 20.267211 24.457663 -0.512896 C 18.091383 7.334339 2.323409 0.084535 C 17.577979 7.432129 3.581350 -0.138301 C 18.284520 7.784177 4.660566 0.178667 C 19.582699 8.141115 4.419977 -0.185588 C 20.169447 8.018876 3.134540 0.050701 C 14.179761 26.501406 14.277281 0.080442 C 14.204211 27.039258 12.978097 -0.189561 C 13.886392 28.383888 12.778751 0.167971 C 13.519676 29.190664 13.878589 -0.148963 C 13.519674 28.603916 15.164026 0.059782 C 17.749113 7.894191 6.049113 -0.114440 C 17.504632 6.666911 6.736512 0.084829 C 16.917884 6.698692 8.028822 -0.000228 C 16.683187 7.974867 8.626860 0.065096 C 16.917889 9.197257 7.918839 -0.008154 C 17.431293 9.150807 6.612780 0.079175 C 17.846899 5.329616 6.104105 -0.529889 C 16.233347 8.018872 10.104768 -0.516779 C 17.749117 10.407425 5.842893 -0.522132 C 16.639176 5.422516 8.791836 -0.288942 C 14.121053 5.395624 8.757466 0.083824 C 12.913331 5.214710 9.341755 0.004055 C 12.810649 4.755090 10.702805 0.097469 C 13.935247 4.547284 11.362708 -0.111255 C 15.238315 4.816210 10.805915 0.048896 C 15.274988 5.231823 9.444865 0.006876 C 11.490466 4.425045 11.355834 -0.523160 C 16.553606 4.522836 11.610172 -0.519000 C 14.155281 5.696333 7.272683 -0.512896 C 18.580357 17.113459 2.323409 0.084493 C 19.093759 17.015667 3.581350 -0.137979 C 18.387217 16.663617 4.660566 0.172793 C 17.089038 16.306680 4.419977 -0.183438 C 16.502292 16.428920 3.134540 0.049199 C 22.492006 22.394176 14.277281 0.083009 C 22.467558 21.856325 12.978097 -0.189448 C 22.785377 20.511696 12.778751 0.167428 C 23.152092 19.704918 13.878589 -0.150047 C 23.152092 20.291664 15.164026 0.060339 C 18.922622 16.553602 6.049113 -0.111715 C 19.167102 17.780881 6.736512 0.084538 C 19.753848 17.749098 8.028822 0.000107 C 19.988545 16.472922 8.626860 0.063444 C 19.753844 15.250533 7.918839 -0.006781 C 19.240441 15.296984 6.612780 0.079197 C 18.824836 19.118176 6.104105 -0.528517 C 20.438383 16.428915 10.104768 -0.512933 C 18.922618 14.040368 5.842893 -0.525155 C 20.032555 19.025272 8.791836 -0.289097 C 22.550678 19.052165 8.757466 0.082182 C 23.758400 19.233078 9.341755 0.005055 C 23.861080 19.692696 10.702805 0.096399 C 22.736482 19.900502 11.362708 -0.110099 C 21.433414 19.631576 10.805915 0.049797 C 21.396742 19.215965 9.444865 0.007935 C 25.181262 20.022741 11.355834 -0.524101 C 20.118122 19.924950 11.610172 -0.520977 C 22.516452 18.751458 7.272683 -0.509088 C 25.670199 12.468366 19.508389 0.083801 C 25.767990 12.981769 20.766329 -0.140216 C 26.120037 12.275226 21.845546 0.177138 C 26.476973 10.977048 21.604956 -0.186978 C 26.354733 10.390302 20.319520 0.051920 C 20.389473 16.380006 31.462260 0.081270 C 20.927326 16.355559 30.163076 -0.191821 C 22.271956 16.673380 29.963730 0.166279 C 23.078733 17.040097 31.063569 -0.149686 C 22.491985 17.040096 32.349005 0.061176 C 26.230052 12.810632 23.234092 -0.113664 C 25.002772 13.055110 23.921491 0.084408 C 25.034555 13.641856 25.213802 -0.001037 C 26.310730 13.876555 25.811839 0.065288 C 27.533120 13.641856 25.103818 -0.006810 C 27.486669 13.128453 23.797760 0.078408 C 23.665478 12.712841 23.289084 -0.530730 C 26.354736 14.326393 27.289747 -0.512770 C 28.743286 12.810632 23.027873 -0.524314 C 23.758380 13.920561 25.976815 -0.288854 C 23.731491 16.438684 25.942445 0.082430 C 23.550579 17.646405 26.526734 0.004804 C 23.090960 17.749085 27.887785 0.095253 C 22.883151 16.624486 28.547688 -0.106618 C 23.152075 15.321418 27.990895 0.047572 C 23.567689 15.284748 26.629844 0.008198 C 22.760917 19.069266 28.540814 -0.525895 C 22.858699 14.006126 28.795152 -0.522600 C 24.032200 16.404458 24.457663 -0.513704 C 11.001518 11.979410 19.508389 0.083851 C 10.903725 11.466005 20.766329 -0.140197 C 10.551678 12.172546 21.845546 0.181162 C 10.194742 13.470724 21.604956 -0.186676 C 10.316983 14.057472 20.319520 0.052449 C 16.282271 32.515554 31.462260 0.081688 C 15.744421 32.540002 30.163076 -0.188099 C 14.399791 32.222181 29.963730 0.167529 C 13.593012 31.855464 31.063569 -0.150246 C 14.179759 31.855463 32.349005 0.060910 C 10.441661 11.637138 23.234092 -0.115263 C 11.668939 11.392659 23.921491 0.086243 C 11.637155 10.805911 25.213802 -0.000087 C 10.360979 10.571212 25.811839 0.064618 C 9.138590 10.805912 25.103818 -0.007457 C 9.185043 11.319316 23.797760 0.078168 C 13.006235 11.734929 23.289084 -0.531392 C 10.316972 10.121372 27.289747 -0.514616 C 32.376227 11.637138 23.027873 -0.522523 C 12.913329 10.527206 25.976815 -0.289153 C 12.940261 32.456883 25.942445 0.083737 C 13.121172 31.249161 26.526734 0.004958 C 13.580789 31.146479 27.887785 0.097032 C 13.788597 32.271078 28.547688 -0.110657 C 13.519674 33.574146 27.990895 0.049408 C 13.104062 33.610818 26.629844 0.007473 C 13.910832 29.826298 28.540814 -0.523809 C 13.813007 10.441637 28.795152 -0.521692 C 12.639554 32.491111 24.457663 -0.514918 C 30.315281 17.113439 32.046550 0.083801 C 29.801878 17.015649 30.788609 -0.140216 C 30.508419 16.663601 29.709393 0.177138 C 31.806597 16.306663 29.949982 -0.186978 C 32.393343 16.428902 31.235419 0.051920 C 26.403650 22.394172 20.092678 0.081270 C 26.428096 21.856320 21.391862 -0.191821 C 26.110272 20.511690 21.591208 0.166279 C 25.743555 19.704914 20.491370 -0.149686 C 25.743557 20.291662 19.205933 0.061176 C 29.973013 16.553587 28.320846 -0.113664 C 29.728538 17.780867 27.633447 0.084408 C 29.141792 17.749086 26.341137 -0.001037 C 28.907091 16.472911 25.743099 0.065288 C 29.141787 15.250521 26.451120 -0.006810 C 29.655190 15.296971 27.757179 0.078408 C 30.070809 19.118162 28.265854 -0.530730 C 28.457252 16.428906 24.265191 -0.512770 C 29.973009 14.040353 28.527066 -0.524314 C 28.863089 19.025262 25.578123 -0.288854 C 26.344966 19.052154 25.612493 0.082430 C 25.137245 19.233068 25.028204 0.004804 C 25.034566 19.692688 23.667154 0.095253 C 26.159166 19.900494 23.007251 -0.106618 C 27.462233 19.631568 23.564044 0.047572 C 27.498903 19.215955 24.925094 0.008198 C 23.714386 20.022733 23.014125 -0.525895 C 28.777526 19.924942 22.759787 -0.522600 C 26.379191 18.751445 27.097276 -0.513704 C 30.804263 31.782119 32.046550 0.083851 C 31.317668 31.879911 30.788609 -0.140197 C 30.611128 32.231961 29.709393 0.181162 C 29.312950 32.588898 29.949982 -0.186676 C 28.726202 32.466658 31.235419 0.052449 C 10.268109 26.501402 20.092678 0.081688 C 10.243662 27.039253 21.391862 -0.188099 C 10.561485 28.383882 21.591208 0.167529 C 10.928205 29.190660 20.491370 -0.150246 C 10.928204 28.603914 19.205933 0.060910 C 31.146536 32.341976 28.320846 -0.115263 C 31.391012 31.114697 27.633447 0.086243 C 31.977760 31.146480 26.341137 -0.000087 C 32.212461 32.422656 25.743099 0.064618 C 31.977764 33.645045 26.451120 -0.007457 C 31.464360 33.598594 27.757179 0.078168 C 31.048740 29.777402 28.265854 -0.531392 C 32.662302 32.466663 24.265191 -0.514616 C 31.146497 10.407410 28.527066 -0.522523 C 32.256463 29.870306 25.578123 -0.289153 C 10.326786 29.843413 25.612493 0.083737 C 11.534508 29.662500 25.028204 0.004958 C 11.637189 29.202882 23.667154 0.097032 C 10.512590 28.995076 23.007251 -0.110657 C 9.209522 29.264002 23.564044 0.049408 C 9.172850 29.679613 24.925094 0.007473 C 12.957370 28.872837 23.014125 -0.523809 C 32.342031 28.970628 22.759787 -0.521692 C 10.292559 30.144120 27.097276 -0.514918 C 13.446301 11.979412 14.861570 0.084493 C 13.544092 11.466009 13.603630 -0.137979 C 13.896143 12.172552 12.524413 0.172793 C 14.253083 13.470730 12.765003 -0.183439 C 14.130844 14.057476 14.050439 0.049199 C 8.165577 8.067772 2.907699 0.083009 C 8.703428 8.092219 4.206883 -0.189448 C 10.048057 7.774398 4.406229 0.167428 C 10.854834 7.407681 3.306390 -0.150047 C 10.268088 7.407682 2.020954 0.060339 C 14.006158 11.637146 11.135867 -0.111715 C 12.778878 11.392668 10.448468 0.084538 C 12.810660 10.805922 9.156157 0.000107 C 14.086835 10.571223 8.558120 0.063444 C 15.309225 10.805922 9.266141 -0.006781 C 15.262775 11.319325 10.572199 0.079197 C 11.441584 11.734937 11.080875 -0.528517 C 14.130842 10.121385 7.080212 -0.512933 C 16.519392 11.637146 11.342086 -0.525155 C 11.534485 10.527217 8.393144 -0.289096 C 11.507588 8.009094 8.427514 0.082182 C 11.326673 6.801373 7.843225 0.005056 C 10.867055 6.698693 6.482174 0.096399 C 10.659251 7.823292 5.822271 -0.110099 C 10.928178 9.126360 6.379064 0.049796 C 11.343790 9.163030 7.740115 0.007934 C 10.537007 5.378512 5.829145 -0.524101 C 10.634808 10.441652 5.574807 -0.520979 C 11.808295 8.043320 9.912296 -0.509088 C 23.225422 12.468368 14.861570 0.084535 C 23.127633 12.981773 13.603630 -0.138301 C 22.775584 12.275232 12.524413 0.178667 C 22.418644 10.977054 12.765003 -0.185588 C 22.540881 10.390306 14.050439 0.050701 C 4.058362 16.380024 2.907699 0.080442 C 3.520509 16.355576 4.206883 -0.189561 C 2.175881 16.673397 4.406229 0.167971 C 1.369105 17.040114 3.306390 -0.148963 C 1.955853 17.040115 2.020954 0.059782 C 22.665571 12.810640 11.135867 -0.114440 C 23.892851 13.055119 10.448468 0.084829 C 23.861071 13.641867 9.156157 -0.000228 C 22.584896 13.876566 8.558120 0.065097 C 21.362506 13.641866 9.266141 -0.008154 C 21.408955 13.128462 10.572199 0.079175 C 25.230145 12.712849 11.080875 -0.529889 C 22.540892 14.326406 7.080212 -0.516779 C 20.152337 12.810640 11.342086 -0.522132 C 25.137247 13.920572 8.393144 -0.288942 C 25.164144 16.438695 8.427514 0.083824 C 25.345060 17.646417 7.843225 0.004055 C 25.804680 17.749099 6.482174 0.097469 C 26.012485 16.624500 5.822271 -0.111255 C 25.743556 15.321432 6.379064 0.048896 C 25.327943 15.284760 7.740115 0.006877 C 26.134728 19.069280 5.829145 -0.523160 C 26.036928 14.006141 5.574807 -0.519000 C 24.863435 16.404467 9.912296 -0.512896 C 20.043558 26.155462 25.777469 -0.272965 C 25.059033 31.170928 25.777469 -0.293726 C 16.628194 22.740105 25.777469 -0.272965 C 11.612719 17.724638 25.777469 -0.293726 C 7.819663 22.740116 8.592490 -0.275466 C 12.835121 17.724650 8.592490 -0.291290 C 4.404312 26.155473 8.592490 -0.275740 C 23.836611 6.723139 8.592490 -0.292800 C 16.628184 10.516216 8.592490 -0.272965 C 11.612709 5.500749 8.592490 -0.293726 C 20.043548 13.931573 8.592490 -0.272965 C 25.059023 18.947040 8.592490 -0.293726 C 28.852079 13.931562 25.777469 -0.275466 C 23.836621 18.947029 25.777469 -0.291290 C 32.267430 10.516205 25.777469 -0.275740 C 12.835131 29.948538 25.777469 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10.346340 18.756350 3.320138 -0.447135 F 9.021268 17.854227 1.821608 -0.443333 F 9.593343 15.856841 2.522755 -0.461345 F 10.918414 16.758964 4.014411 -0.448057 F 8.803681 17.328598 3.938797 -0.438202 F 11.136002 17.284593 1.897222 -0.453587 F 1.877599 5.691446 3.320138 -0.446875 F 3.202672 6.593570 1.821608 -0.443419 F 2.630597 8.590955 2.522755 -0.461928 F 25.753323 7.688831 4.014411 -0.448437 F 3.420257 7.119197 3.938797 -0.438686 F 1.087938 7.163204 1.897222 -0.454037 F 24.027335 28.682146 20.505118 -0.446999 F 24.929457 27.357076 19.006587 -0.443658 F 26.926843 27.929154 19.707734 -0.462551 F 26.024721 29.254224 21.199391 -0.449171 F 25.455083 27.139489 21.123777 -0.439136 F 25.499095 29.471811 19.082201 -0.454095 F 12.644424 20.213428 20.505118 -0.446679 F 11.742304 21.538500 19.006587 -0.442519 F 9.744917 20.966421 19.707734 -0.460535 F 10.647038 19.641349 21.199391 -0.447703 F 11.216675 21.756084 21.123777 -0.438106 F 11.172666 19.423765 19.082201 -0.453032 F 14.101500 6.532450 3.320138 -0.446679 F 15.426571 5.630327 1.821608 -0.442519 F 14.854488 3.632941 2.522755 -0.460535 F 13.529418 4.535064 4.014411 -0.447703 F 15.644154 5.104698 3.938797 -0.438106 F 13.311835 5.060693 1.897222 -0.453032 F 22.570238 17.915346 3.320138 -0.446999 F 21.245170 18.817470 1.821608 -0.443658 F 21.817252 20.814855 2.522755 -0.462551 F 23.142320 19.912731 4.014411 -0.449171 F 21.027584 19.343097 3.938797 -0.439136 F 23.359906 19.387104 1.897222 -0.454095 F 24.868318 16.458246 20.505118 -0.447135 F 23.966193 15.133176 19.006587 -0.443333 F 21.968808 15.705254 19.707734 -0.461345 F 22.870933 17.030324 21.199391 -0.448057 F 23.440563 14.915589 21.123777 -0.438202 F 23.396562 17.247911 19.082201 -0.453587 F 11.803398 7.989528 20.505118 -0.446875 F 12.705526 9.314600 19.006587 -0.443418 F 14.702909 8.742521 19.707734 -0.461928 F 13.800825 31.865249 21.199391 -0.448437 F 13.231152 9.532184 21.123777 -0.438687 F 13.275156 7.199865 19.082201 -0.454037 F 26.325402 17.915328 31.049821 -0.447135 F 27.650474 18.817451 32.548351 -0.443333 F 27.078399 20.814837 31.847204 -0.461345 F 25.753328 19.912714 30.355548 -0.448057 F 27.868061 19.343080 30.431162 -0.438202 F 25.535740 19.387085 32.472737 -0.453587 F 34.794143 30.980232 31.049821 -0.446875 F 33.469070 30.078108 32.548351 -0.443419 F 34.041145 28.080723 31.847204 -0.461928 F 10.918419 28.982847 30.355548 -0.448437 F 33.251485 29.552481 30.431162 -0.438686 F 35.583804 29.508474 32.472737 -0.454037 F 12.644407 7.989532 13.864841 -0.446999 F 11.742285 9.314602 15.363372 -0.443658 F 9.744899 8.742524 14.662225 -0.462551 F 10.647021 7.417454 13.170568 -0.449171 F 11.216659 9.532189 13.246182 -0.439136 F 11.172647 7.199867 15.287758 -0.454095 F 24.027318 16.458250 13.864841 -0.446679 F 24.929438 15.133178 15.363372 -0.442519 F 26.926825 15.705257 14.662225 -0.460535 F 26.024704 17.030329 13.170568 -0.447703 F 25.455067 14.915594 13.246182 -0.438106 F 25.499076 17.247913 15.287758 -0.453032 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Ag 16.387389 29.021228 34.252414 0.252055 248.278070 0.51844011E+04 0.20590021E+06 31.287167 23.777208 1.111230 1.994628 0.999214 89.681874 245.421663 0.377132 0.408935 -1.175983 0.000193 -0.074254 -0.007030 0.074587 -0.000617 0.092803 -0.000513 0.228755 -0.090158 -0.099355 -0.072671 0.172026 44.527412 27.817295 -0.410927 -23.670379 21.671554 1.064661 84.093386 0.000001 2 Ag 20.284352 19.874328 34.252414 0.252327 248.256073 0.51839054E+04 0.20587632E+06 31.286252 23.776596 1.111325 1.994615 0.999214 89.675838 245.405447 0.377123 0.408953 -1.175966 -0.000282 0.074067 -0.007137 0.074411 -0.001265 -0.092191 -0.000329 0.228632 -0.088005 -0.099677 -0.071664 0.171341 44.524299 27.816540 -0.411336 23.668916 21.672028 -1.066184 84.084329 0.000001 3 Ag 10.685435 26.396279 17.067434 0.251986 248.132031 0.51809672E+04 0.20572593E+06 31.272963 23.767006 1.112885 1.995130 0.999216 89.670923 245.354222 0.377275 0.408855 -1.176063 -0.074081 -0.000463 -0.007070 0.074419 0.001324 -0.000303 -0.093061 -0.228483 -0.089790 -0.099286 -0.072798 0.172084 44.506311 21.662811 0.411048 1.064573 27.805658 23.658792 84.050463 0.000001 4 Ag 25.986328 22.499299 17.067434 0.252002 248.342935 0.51852490E+04 0.20594323E+06 31.293269 23.779475 1.111780 1.994731 0.999209 89.686705 245.444042 0.377105 0.408946 -1.175970 0.074533 0.000188 -0.006168 0.074788 0.001034 -0.000026 0.092849 -0.228587 -0.091484 -0.099057 -0.073041 0.172098 44.538833 21.675892 0.411157 -1.065068 27.823956 -23.678413 84.116651 0.000001 5 Ag 4.163495 19.874350 0.117545 0.251986 248.132073 0.51809673E+04 0.20572594E+06 31.272967 23.767007 1.112885 1.995130 0.999216 89.670922 245.354222 0.377275 0.408855 -1.176063 0.000463 0.074081 0.007070 0.074419 0.001324 -0.093061 -0.000303 0.228483 -0.089790 -0.099286 -0.072798 0.172084 44.506321 27.805669 0.411037 23.658804 21.662812 1.064531 84.050483 0.000001 6 Ag 8.060448 4.573450 0.117545 0.252002 248.342898 0.51852487E+04 0.20594321E+06 31.293266 23.779474 1.111780 1.994731 0.999209 89.686705 245.444039 0.377105 0.408946 -1.175970 -0.000188 -0.074533 0.006168 0.074788 0.001033 0.092850 -0.000026 0.228587 -0.091484 -0.099057 -0.073041 0.172098 44.538825 27.823954 0.411144 -23.678410 21.675888 -1.065020 84.116634 0.000001 7 Ag 22.909328 22.499299 17.302525 0.252327 248.256059 0.51839050E+04 0.20587630E+06 31.286250 23.776595 1.111325 1.994615 0.999214 89.675837 245.405439 0.377123 0.408953 -1.175966 -0.074067 0.000282 0.007137 0.074411 -0.001265 -0.000329 -0.092191 -0.228632 -0.088005 -0.099677 -0.071664 0.171341 44.524297 21.672026 -0.411326 -1.066148 27.816541 23.668919 84.084325 0.000001 8 Ag 13.762435 26.396279 17.302525 0.252055 248.278118 0.51844009E+04 0.20590020E+06 31.287171 23.777208 1.111230 1.994628 0.999214 89.681874 245.421664 0.377132 0.408935 -1.175983 0.074254 -0.000193 0.007030 0.074587 -0.000617 -0.000513 0.092803 -0.228755 -0.090158 -0.099355 -0.072671 0.172026 44.527422 21.671554 -0.410915 1.064618 27.817294 -23.670381 84.093419 0.000001 9 Ag 20.284353 7.650450 0.117545 0.252055 248.278073 0.51844012E+04 0.20590021E+06 31.287168 23.777209 1.111230 1.994628 0.999214 89.681874 245.421664 0.377132 0.408935 -1.175983 -0.000193 0.074254 0.007030 0.074587 -0.000617 0.092804 -0.000513 0.228755 -0.090158 -0.099355 -0.072671 0.172026 44.527413 27.817296 -0.410927 -23.670379 21.671555 1.064661 84.093387 0.000001 10 Ag 16.387390 16.797350 0.117545 0.252327 248.256069 0.51839053E+04 0.20587632E+06 31.286251 23.776596 1.111325 1.994615 0.999214 89.675838 245.405446 0.377123 0.408953 -1.175966 0.000282 -0.074067 0.007137 0.074411 -0.001265 -0.092191 -0.000329 0.228632 -0.088005 -0.099677 -0.071664 0.171341 44.524298 27.816539 -0.411336 23.668915 21.672028 -1.066184 84.084327 0.000001 11 Ag 25.986307 10.275399 17.302525 0.251986 248.132034 0.51809672E+04 0.20572594E+06 31.272963 23.767007 1.112885 1.995130 0.999216 89.670923 245.354223 0.377275 0.408855 -1.176063 0.074081 0.000463 0.007070 0.074419 0.001324 -0.000303 -0.093061 -0.228483 -0.089790 -0.099286 -0.072798 0.172084 44.506311 21.662811 0.411048 1.064573 27.805659 23.658793 84.050465 0.000001 12 Ag 10.685414 14.172379 17.302525 0.252002 248.342926 0.51852488E+04 0.20594322E+06 31.293268 23.779474 1.111780 1.994731 0.999209 89.686705 245.444039 0.377105 0.408946 -1.175970 -0.074533 -0.000188 0.006168 0.074788 0.001034 -0.000026 0.092849 -0.228587 -0.091484 -0.099057 -0.073041 0.172098 44.538832 21.675891 0.411157 -1.065068 27.823955 -23.678413 84.116649 0.000001 13 Ag 32.508247 16.797328 34.252414 0.251986 248.132070 0.51809672E+04 0.20572593E+06 31.272967 23.767007 1.112885 1.995130 0.999216 89.670922 245.354221 0.377275 0.408855 -1.176063 -0.000463 -0.074081 -0.007070 0.074419 0.001324 -0.093061 -0.000303 0.228483 -0.089790 -0.099286 -0.072798 0.172084 44.506321 27.805668 0.411037 23.658804 21.662812 1.064531 84.050483 0.000001 14 Ag 28.611294 32.098228 34.252414 0.252002 248.342895 0.51852486E+04 0.20594321E+06 31.293266 23.779474 1.111780 1.994731 0.999209 89.686705 245.444038 0.377105 0.408946 -1.175970 0.000188 0.074533 -0.006168 0.074788 0.001033 0.092850 -0.000026 0.228587 -0.091484 -0.099057 -0.073041 0.172098 44.538825 27.823954 0.411144 -23.678410 21.675887 -1.065021 84.116633 0.000001 15 Ag 13.762414 14.172379 17.067434 0.252327 248.256062 0.51839050E+04 0.20587631E+06 31.286251 23.776595 1.111325 1.994615 0.999214 89.675836 245.405438 0.377123 0.408953 -1.175966 0.074067 -0.000282 -0.007137 0.074411 -0.001265 -0.000329 -0.092191 -0.228632 -0.088005 -0.099677 -0.071664 0.171341 44.524298 21.672027 -0.411326 -1.066148 27.816541 23.668919 84.084327 0.000001 16 Ag 22.909307 10.275399 17.067434 0.252055 248.278117 0.51844009E+04 0.20590020E+06 31.287171 23.777208 1.111230 1.994628 0.999214 89.681874 245.421664 0.377132 0.408935 -1.175983 -0.074254 0.000193 -0.007030 0.074587 -0.000617 -0.000513 0.092803 -0.228755 -0.090158 -0.099355 -0.072671 0.172026 44.527422 21.671554 -0.410915 1.064618 27.817294 -23.670381 84.093418 0.000001 17 H 19.123100 29.618489 32.761445 0.116629 1.255316 0.89087006E+01 0.89793922E+02 1.933467 1.754552 -1.037947 2.399154 0.997495 3.486151 9.871380 0.468947 1.295835 -0.707102 0.036713 0.015384 0.036245 0.053835 0.002852 0.008049 0.005967 0.018492 0.033431 -0.016189 -0.001423 0.017612 2.043894 1.996793 0.245806 0.495868 1.544097 0.333867 2.590791 0.000000 18 H 20.022780 29.437576 30.671751 0.136174 1.163447 0.86016762E+01 0.86230663E+02 1.839004 1.722006 -1.361814 2.242690 0.993344 3.641597 10.396703 0.472618 1.292759 -0.705157 0.038300 0.007193 -0.006125 0.039448 -0.000859 -0.003147 0.001109 0.021103 0.011569 -0.012575 0.002317 0.010258 1.899313 2.570380 0.341076 -0.124330 1.504869 0.025042 1.622690 0.000000 19 H 16.563415 28.183405 29.235087 0.124897 1.109290 0.82498550E+01 0.80506162E+02 1.682241 1.611961 -0.986583 2.413487 0.998194 3.303983 8.818615 0.531409 1.181120 -0.733252 -0.018140 -0.016536 -0.029190 0.038138 0.010971 0.003072 0.008298 0.017277 0.019863 -0.018832 0.003078 0.015755 1.716386 1.824071 0.057301 0.277140 1.508234 0.239907 1.816854 0.000000 20 H 15.573278 28.459664 31.372899 0.111561 1.403459 0.10454682E+02 0.10835859E+03 2.010137 1.849681 -0.821754 2.493814 0.999071 3.386534 9.347264 0.481548 1.227197 -0.725512 -0.052279 -0.010745 0.001976 0.053409 0.011869 0.001903 0.006975 0.034158 0.005236 -0.023179 0.002414 0.020765 2.093502 2.874133 0.150496 -0.241413 1.604639 -0.038503 1.801733 0.000000 21 H 22.235281 11.084620 19.962072 0.112647 1.312201 0.96558063E+01 0.97948982E+02 1.911250 1.769009 -0.761871 2.525067 0.999570 3.278166 8.903656 0.496812 1.215354 -0.728464 -0.017121 0.050927 -0.001026 0.053738 -0.012721 -0.005180 0.001713 -0.027839 0.006226 -0.020684 0.002113 0.018570 1.983225 1.561798 -0.237822 0.072020 2.679841 -0.236737 1.708037 -0.000001 22 H 22.235278 10.182495 22.134254 0.137448 1.057134 0.77623637E+01 0.74745265E+02 1.643762 1.575422 -0.918245 2.454638 0.998854 3.224107 8.601098 0.530500 1.199033 -0.729120 -0.009707 0.020669 0.030206 0.037866 -0.010404 -0.004764 0.002335 -0.020059 0.023893 -0.018891 0.005335 0.013556 1.671067 1.378521 0.003828 -0.108710 1.813167 0.317207 1.821515 -0.000001 23 H 23.381917 31.029135 20.615101 0.157214 0.973767 0.68875096E+01 0.65660790E+02 1.670954 1.571886 -1.195235 2.343487 0.996153 3.404601 9.643855 0.477586 1.345275 -0.694492 0.010838 -0.037674 0.006274 0.039700 -0.001567 0.000451 -0.001850 -0.011843 0.019875 -0.009441 0.002033 0.007408 1.717574 1.346419 -0.253642 0.018542 2.299788 -0.128027 1.506516 -0.000000 24 H 23.342761 7.512797 18.449794 0.121042 1.248612 0.89769441E+01 0.90324566E+02 1.909194 1.749091 -0.845499 2.492318 0.998901 3.382429 9.456044 0.476323 1.277990 -0.712149 0.007442 -0.044493 -0.036879 0.058267 -0.005205 -0.002685 0.008326 -0.031173 0.017915 -0.019493 0.000349 0.019145 2.010427 1.472917 -0.125788 -0.217576 1.913502 0.479112 2.644863 -0.000000 25 H 19.061988 32.048603 27.660943 0.166828 0.877707 0.59862105E+01 0.53536127E+02 1.406415 1.342134 -0.765286 2.532828 0.999920 2.879103 7.188968 0.606932 1.128421 -0.746919 0.008192 0.006462 -0.009806 0.014319 0.002547 -0.000661 -0.000380 -0.005305 -0.005037 -0.003011 -0.001564 0.004575 1.429552 1.299096 0.076131 -0.260258 1.425610 -0.256825 1.563951 -0.000001 26 H 17.908050 31.393402 28.465200 0.158657 0.919286 0.62616323E+01 0.57626019E+02 1.548221 1.446789 -0.857604 2.481423 0.999518 3.168708 8.495298 0.530910 1.253587 -0.714991 -0.011318 -0.002523 -0.001126 0.011650 0.001393 0.001812 0.003272 0.003958 -0.013435 -0.006246 0.000750 0.005496 1.637062 2.320910 -0.181905 -0.322588 1.273588 0.045900 1.316686 -0.000000 27 H 19.335801 31.456966 29.063237 0.184315 0.891165 0.63620666E+01 0.59346289E+02 1.568123 1.501134 -1.180338 2.349440 0.997471 3.279527 9.131707 0.494355 1.328225 -0.698047 0.015987 0.000942 0.011721 0.019845 -0.002569 0.002757 0.002348 -0.004133 -0.002607 -0.005540 0.001531 0.004009 1.592738 1.604298 0.046607 0.359885 1.279513 0.077368 1.894402 -0.000000 28 H 20.536188 29.537817 23.942113 0.163717 0.892155 0.61182317E+01 0.56357152E+02 1.546847 1.453079 -1.115278 2.363054 0.998074 3.313116 9.082936 0.513806 1.294148 -0.704589 -0.002198 0.014310 -0.001990 0.014614 -0.009069 -0.002325 -0.001354 -0.004286 0.018634 -0.012798 0.005979 0.006819 1.600384 1.246342 0.151066 -0.054714 2.232003 -0.250661 1.322806 0.000000 29 H 21.254951 28.185853 24.196451 0.170985 0.863865 0.63422079E+01 0.59148667E+02 1.541659 1.505308 -0.940165 2.451681 0.999372 3.276464 9.139295 0.490185 1.339805 -0.696135 0.013996 -0.003330 0.001802 0.014499 0.000013 -0.002254 0.000579 0.015885 0.011733 -0.009923 0.002487 0.007435 1.559348 1.819383 -0.348508 -0.086491 1.621915 0.036666 1.236747 0.000000 30 H 19.768525 28.200522 23.749642 0.164890 0.925050 0.67001363E+01 0.61826241E+02 1.479975 1.443178 -0.684146 2.569820 0.999992 2.946061 7.549096 0.569416 1.165702 -0.738555 -0.008074 -0.006075 -0.003211 0.010602 0.003524 0.000444 0.000665 0.002075 -0.002970 -0.003211 -0.001065 0.004276 1.490959 1.557112 0.271399 0.255271 1.525397 0.195214 1.390368 0.000000 31 H 19.174436 25.506372 28.018391 0.159650 0.895648 0.60807382E+01 0.55315038E+02 1.492117 1.403493 -0.885534 2.473021 0.999326 3.115528 8.188909 0.554273 1.214774 -0.723730 0.005011 -0.006352 -0.011973 0.014450 -0.001686 -0.000306 0.001431 -0.004778 0.000975 -0.003093 -0.000350 0.003443 1.544255 1.288054 -0.067941 -0.215411 1.831358 0.319795 1.513352 0.000000 32 H 19.384688 26.271587 29.351945 0.171484 0.934165 0.69027384E+01 0.64124367E+02 1.487224 1.464272 -0.767080 2.536912 0.999969 2.932061 7.520223 0.566045 1.164806 -0.739245 0.011098 0.005932 0.011049 0.016746 0.005033 0.005126 -0.000195 0.001241 0.005159 -0.007492 0.000260 0.007232 1.476438 1.356547 0.013250 0.220997 1.322628 0.042766 1.750139 0.000001 33 H 17.978939 26.225137 28.698916 0.162555 0.970064 0.70546694E+01 0.66161927E+02 1.540265 1.488179 -0.878945 2.472861 0.999518 3.093509 8.078720 0.554766 1.177240 -0.734294 -0.012843 0.003666 -0.001907 0.013492 -0.000674 0.001531 -0.003404 0.009734 -0.009752 -0.006679 -0.000202 0.006881 1.567971 1.987121 0.067444 -0.226913 1.440634 0.052594 1.276158 0.000001 34 H 19.370021 26.044225 25.110692 0.123236 1.003355 0.74342834E+01 0.71246150E+02 1.623799 1.564590 -0.770192 2.506599 0.999216 3.356027 9.109585 0.517595 1.234791 -0.719428 -0.013312 0.003921 -0.020096 0.024422 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0.27796475E+03 0.55837414E+04 5.405608 4.998980 0.834948 2.443069 0.999161 21.228522 48.624004 0.904412 0.337135 -1.174111 -0.016980 -0.017153 0.049418 0.054997 0.018254 -0.008600 -0.005418 0.001912 0.012860 -0.020601 -0.001229 0.021830 5.683901 6.349670 1.037792 -1.505174 4.144385 -0.536597 6.557648 0.000000 1027 F 21.817254 33.038737 31.847204 -0.460535 17.625175 0.26886590E+03 0.53894940E+04 5.198361 4.949722 0.496687 2.303435 0.998852 22.002328 51.371871 0.894204 0.341710 -1.162936 -0.004170 0.054328 0.021131 0.058441 -0.008557 -0.001143 0.009340 -0.034705 -0.012448 -0.017366 -0.007116 0.024482 5.237676 4.370968 -0.566567 -0.255576 6.783051 1.048040 4.559010 -0.000000 1028 F 23.142324 32.136614 30.355548 -0.447703 17.087448 0.25266515E+03 0.49616388E+04 5.024254 4.738277 0.937373 2.472765 0.999498 21.201428 48.196873 0.936051 0.333217 -1.176178 0.023836 0.020654 -0.031844 0.044820 0.002620 -0.014692 -0.000338 0.003083 0.024964 -0.013336 -0.005322 0.018658 5.189748 5.708221 0.497792 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11.803424 20.213432 13.864841 -0.447135 15.960479 0.24155476E+03 0.46835404E+04 4.749172 4.605348 1.088426 2.527628 0.999765 20.945924 47.087583 0.959416 0.329261 -1.181431 -0.046062 -0.016088 -0.008610 0.049544 0.009830 0.006667 0.000941 0.008821 -0.023140 -0.011088 -0.005124 0.016213 4.766486 5.109239 0.678357 0.773074 5.051129 0.253018 4.139091 -0.000000 1038 F 12.705549 21.538502 15.363372 -0.443333 18.880580 0.27842120E+03 0.55954576E+04 5.412769 5.004888 0.831502 2.441447 0.999140 21.244820 48.679585 0.903348 0.337379 -1.173846 -0.016955 0.016772 0.049309 0.054774 -0.018559 -0.005852 0.008911 -0.002144 0.014280 -0.021121 -0.001341 0.022462 5.692062 4.149281 -1.040506 -0.538348 6.359732 1.509367 6.567174 0.000000 1039 F 14.702934 20.966424 14.662225 -0.461345 17.662462 0.26957176E+03 0.54075529E+04 5.208547 4.958502 0.495111 2.302448 0.998846 22.023844 51.452104 0.892733 0.342025 -1.162588 0.054377 0.005067 0.021071 0.058537 0.008334 0.009710 0.001503 0.035412 -0.013873 -0.017299 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1056 F 3.202672 6.593570 1.821608 -0.443419 18.883613 0.27848013E+03 0.55970403E+04 5.413931 5.005928 0.839443 2.443807 0.999129 21.247473 48.690304 0.903100 0.337447 -1.173765 0.016824 -0.016707 -0.049038 0.054469 -0.018866 -0.009504 0.006159 0.002247 0.013991 -0.021413 -0.001859 0.023271 5.693202 6.361005 -1.041397 -1.509445 4.150435 0.539193 6.568165 0.000000 1057 F 2.630597 8.590955 2.522755 -0.461928 17.676620 0.26986454E+03 0.54149887E+04 5.211862 4.961626 0.493027 2.301557 0.998901 22.033321 51.484573 0.892320 0.342085 -1.162518 0.004547 0.054157 -0.021396 0.058407 0.008347 -0.000951 -0.009449 -0.035304 -0.012902 -0.017495 -0.007245 0.024740 5.251739 4.381389 0.569631 -0.256697 6.804590 -1.052183 4.569238 -0.000000 1058 F 25.753323 7.688831 4.014411 -0.448437 17.097675 0.25283133E+03 0.49659734E+04 5.028313 4.741380 0.941608 2.474007 0.999479 21.216608 48.244679 0.935239 0.333434 -1.175926 -0.023591 0.020244 0.031714 0.044409 -0.002889 -0.015169 0.000547 0.003439 0.025347 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5.534008 3.784857 0.045844 -0.210184 6.711129 1.832323 6.106038 0.000000 1097 F 26.325402 17.915328 31.049821 -0.447135 15.960476 0.24155471E+03 0.46835392E+04 4.749172 4.605347 1.088426 2.527628 0.999765 20.945924 47.087582 0.959416 0.329261 -1.181431 -0.016088 -0.046062 -0.008610 0.049544 0.009830 0.000941 0.006667 -0.008821 -0.023140 -0.011088 -0.005124 0.016213 4.766486 5.051130 0.678358 0.253019 5.109237 0.773073 4.139089 -0.000000 1098 F 27.650474 18.817451 32.548351 -0.443333 18.880581 0.27842119E+03 0.55954571E+04 5.412769 5.004888 0.831502 2.441447 0.999140 21.244821 48.679586 0.903348 0.337379 -1.173846 0.016772 -0.016955 0.049309 0.054774 -0.018559 0.008911 -0.005852 0.002144 0.014280 -0.021121 -0.001341 0.022462 5.692063 6.359729 -1.040509 1.509368 4.149284 -0.538350 6.567175 0.000000 1099 F 27.078399 20.814837 31.847204 -0.461345 17.662463 0.26957179E+03 0.54075537E+04 5.208548 4.958503 0.495111 2.302448 0.998846 22.023845 51.452105 0.892733 0.342025 -1.162588 0.005067 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5.253055 4.855057 0.849580 2.433199 0.999532 21.498735 49.356735 0.916521 0.336600 -1.171646 -0.022549 0.003405 0.045020 0.050466 0.006751 -0.012430 0.000158 0.002297 0.023501 -0.014578 -0.002094 0.016672 5.529396 6.704510 0.045131 -1.830136 3.782431 0.210499 6.101247 0.000000 1103 F 34.794143 30.980232 31.049821 -0.446875 15.890053 0.24015949E+03 0.46492962E+04 4.733228 4.590246 1.144131 2.548193 0.999648 20.910869 46.957541 0.961646 0.329006 -1.181775 0.015818 0.045644 -0.008406 0.049033 0.010411 -0.001036 -0.007081 -0.008166 -0.024419 -0.011777 -0.005155 0.016932 4.750487 5.033988 0.675140 -0.251661 5.091728 -0.769495 4.125746 -0.000000 1104 F 33.469070 30.078108 32.548351 -0.443419 18.883614 0.27848015E+03 0.55970408E+04 5.413931 5.005928 0.839443 2.443807 0.999129 21.247473 48.690305 0.903100 0.337447 -1.173765 -0.016824 0.016707 0.049038 0.054469 -0.018866 -0.009504 0.006159 0.002247 0.013991 -0.021413 -0.001859 0.023271 5.693202 6.361005 -1.041397 -1.509445 4.150435 0.539193 6.568165 0.000000 1105 F 34.041145 28.080723 31.847204 -0.461928 17.676621 0.26986456E+03 0.54149892E+04 5.211862 4.961627 0.493027 2.301557 0.998901 22.033321 51.484574 0.892320 0.342085 -1.162518 -0.004547 -0.054157 0.021396 0.058407 0.008347 -0.000951 -0.009449 -0.035304 -0.012903 -0.017495 -0.007245 0.024740 5.251739 4.381390 0.569631 -0.256698 6.804590 -1.052183 4.569238 -0.000000 1106 F 10.918419 28.982847 30.355548 -0.448437 17.097674 0.25283131E+03 0.49659730E+04 5.028313 4.741380 0.941608 2.474007 0.999479 21.216608 48.244678 0.935239 0.333434 -1.175926 0.023591 -0.020244 -0.031714 0.044409 -0.002889 -0.015169 0.000547 0.003439 0.025347 -0.013707 -0.005570 0.019277 5.194591 5.713803 -0.498365 -1.631258 4.010873 0.407529 5.859098 -0.000000 1107 F 33.251485 29.552481 30.431162 -0.438686 19.759975 0.28681510E+03 0.57926237E+04 5.578086 5.064105 0.857118 2.459095 0.998912 21.002782 47.851631 0.904478 0.335301 -1.178601 -0.028891 -0.002491 -0.035249 0.045644 -0.004955 0.017684 -0.003669 0.007921 0.018040 -0.014650 -0.007926 0.022576 5.937543 7.381853 -0.799484 2.285962 4.105815 -0.499972 6.324959 -0.000000 1108 F 35.583804 29.508474 32.472737 -0.454037 18.024059 0.26290546E+03 0.52213689E+04 5.257214 4.858545 0.847351 2.432239 0.999538 21.506718 49.386947 0.915961 0.336701 -1.171527 0.022422 -0.003682 0.044852 0.050279 0.006447 0.013129 0.000092 0.002655 0.024843 -0.014724 -0.002863 0.017587 5.534008 6.711130 0.045840 1.832322 3.784857 -0.210187 6.106036 0.000000 1109 F 12.644407 7.989532 13.864841 -0.446999 15.884978 0.24006195E+03 0.46468646E+04 4.731625 4.588830 1.144969 2.548611 0.999638 20.910284 46.951131 0.961961 0.328936 -1.181856 0.045840 -0.016156 -0.008830 0.049399 -0.009829 -0.006777 0.000991 0.008653 -0.024587 -0.011403 -0.005027 0.016430 4.748822 5.089776 -0.674729 -0.768954 5.032393 0.251415 4.124297 -0.000000 1110 F 11.742285 9.314602 15.363372 -0.443658 18.890727 0.27861500E+03 0.56004605E+04 5.415422 5.007261 0.833640 2.441974 0.999139 21.249956 48.699976 0.902942 0.337464 -1.173744 0.017053 0.016873 0.048914 0.054480 0.018521 0.006055 0.009415 -0.002545 0.014818 -0.021209 -0.001679 0.022888 5.694757 4.151434 1.041683 0.539346 6.362278 1.509770 6.570559 0.000000 1111 F 9.744899 8.742524 14.662225 -0.462551 17.674190 0.26981878E+03 0.54137830E+04 5.211073 4.960942 0.491392 2.301121 0.998877 22.032580 51.479676 0.892463 0.342048 -1.162561 -0.054758 0.004827 0.021396 0.058987 -0.008706 -0.009452 0.001310 0.034421 -0.012778 -0.017237 -0.007313 0.024550 5.250939 6.803487 -0.569240 -1.052253 4.380566 0.256605 4.568763 -0.000000 1112 F 10.647021 7.417454 13.170568 -0.449171 17.111930 0.25309953E+03 0.49725513E+04 5.030914 4.743671 0.934898 2.471564 0.999470 21.226165 48.272519 0.935081 0.333403 -1.175956 -0.020745 -0.024852 -0.032054 0.045557 0.002466 0.000414 0.015013 -0.002994 0.025362 -0.013572 -0.005435 0.019006 5.197359 4.012639 0.498847 0.407655 5.717239 1.632566 5.862199 -0.000000 1113 F 11.216659 9.532189 13.246182 -0.439136 19.772923 0.28704110E+03 0.57984127E+04 5.580927 5.066472 0.853390 2.457752 0.998882 21.006318 47.866981 0.904154 0.335350 -1.178541 -0.002363 0.029166 -0.035917 0.046328 0.004845 -0.003717 -0.017639 -0.008249 0.017009 -0.014504 -0.007972 0.022476 5.940730 4.107761 0.800451 -0.500542 7.386241 -2.287756 6.328188 -0.000000 1114 F 11.172647 7.199867 15.287758 -0.454095 18.009250 0.26263717E+03 0.52146189E+04 5.253934 4.855714 0.849598 2.433322 0.999561 21.499274 49.360323 0.916344 0.336652 -1.171590 -0.003962 -0.022364 0.044968 0.050378 -0.006920 -0.000022 -0.013216 -0.002560 0.024207 -0.015157 -0.002457 0.017614 5.530439 3.782775 -0.045785 -0.209971 6.706424 -1.830874 6.102118 0.000000 1115 F 24.027318 16.458250 13.864841 -0.446679 15.943682 0.24124012E+03 0.46757135E+04 4.743799 4.600679 1.094017 2.529937 0.999760 20.933722 47.044813 0.960466 0.329023 -1.181696 -0.046248 0.015929 -0.008755 0.049691 -0.009644 0.006511 -0.000911 0.008405 -0.022952 -0.010916 -0.004955 0.015871 4.760835 5.101708 -0.676607 0.771017 5.045627 -0.252179 4.135170 -0.000000 1116 F 24.929438 15.133178 15.363372 -0.442519 18.854785 0.27796486E+03 0.55837442E+04 5.405609 4.998982 0.834944 2.443068 0.999161 21.228524 48.624013 0.904411 0.337135 -1.174111 -0.017153 -0.016980 0.049418 0.054997 0.018254 -0.005418 -0.008600 -0.001912 0.012860 -0.020601 -0.001229 0.021830 5.683902 4.144389 1.037796 -0.536600 6.349668 -1.505173 6.557650 0.000000 1117 F 26.926825 15.705257 14.662225 -0.460535 17.625166 0.26886572E+03 0.53894893E+04 5.198358 4.949720 0.496687 2.303435 0.998852 22.002325 51.371858 0.894205 0.341709 -1.162936 0.054328 -0.004170 0.021131 0.058442 -0.008558 0.009339 -0.001142 0.034705 -0.012446 -0.017366 -0.007115 0.024481 5.237674 6.783045 -0.566571 1.048039 4.370968 -0.255577 4.559008 -0.000000 1118 F 26.024704 17.030329 13.170568 -0.447703 17.087446 0.25266513E+03 0.49616384E+04 5.024254 4.738277 0.937373 2.472766 0.999498 21.201427 48.196869 0.936051 0.333217 -1.176178 0.020654 0.023836 -0.031844 0.044820 0.002620 -0.000338 -0.014692 -0.003083 0.024964 -0.013336 -0.005322 0.018658 5.189748 4.008812 0.497794 -0.406580 5.708219 -1.627509 5.852213 -0.000000 1119 F 25.455067 14.915594 13.246182 -0.438106 19.762040 0.28688068E+03 0.57940304E+04 5.576080 5.062740 0.854765 2.458329 0.998874 20.997169 47.832474 0.905160 0.335043 -1.178878 0.002332 -0.029053 -0.035679 0.046071 0.004349 0.003499 0.016585 -0.006574 0.016626 -0.013894 -0.007027 0.020921 5.934800 4.104849 0.798181 0.499068 7.378171 2.283472 6.321381 -0.000000 1120 F 25.499076 17.247913 15.287758 -0.453032 17.978289 0.26208467E+03 0.52004731E+04 5.244668 4.848010 0.854024 2.435190 0.999540 21.479903 49.287264 0.917885 0.336292 -1.172002 0.003759 0.022802 0.045011 0.050597 -0.006655 -0.000124 0.012158 -0.001082 0.022950 -0.014349 -0.001874 0.016223 5.519962 3.777803 -0.044934 0.210124 6.691378 1.824819 6.090705 0.000000 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000007 The total net atomic charge of the unit cell is 0.000002 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 1463292 The rms potential error without charges in kcal/mol is= 8.01508 The rms potential error with partial charges in kcal/mol is= 0.88641 The RRMSE value at monopole order= 0.11059 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.89528 The RRMSE value at monopole order with cloud penetration is= 0.11170 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.30000 The RRMSE value at dipole order= 0.03743 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.30868 The RRMSE value at dipole order with cloud penetration= 0.03851 ****************************************************** The electron densities and ab initio electrostatic potential were computed in VASP using the PBE functional and projector augmented wave method. See the main text of the journal article for a description of computational details. The atomic charges, dipoles, and quadrupoles were computed with the DDEC6 method as described in (a) T. A. Manz and N. Gabaldon Limas, RSC Adv. 6 (2016) 47771-47801 DOI: 10.1039/c6ra04656h (b) N. Gabaldon Limas and T. A. Manz, RSC Adv. 8 (2018) 2678-2707 DOI: 10.1039/c7ra11829e. For each atom in the material, the electron cloud parameters were fit to the spherically averaged atom-in-material electron density using radial positions for which this density was between 10^-4 and 10^-2 electrons per cubic bohr. The polarizabilities, dispersion coefficients, and quantum Drude oscillator (QDO) parameters were fit using the MCLF method. The magnetic structure of the system was optimized in VASP from the default ferromagnetic initial guess using spin polarization. The atomic spin moments (ASMs) were computed on this optimized magnetic structure using the DDEC6 partition as inputs to the method of T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. 7 (2011) 4146-4164 DOI: 10.1021/ct200539n. The RMSE and RRMSE were computed using a uniform grid with Ewald summation.