1160 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 32.657000 0.000000 0.000000 }, { 0.000000 32.657000 0.000000 }, { 0.000000 0.000000 32.657000 }] Zn 6.504621 7.599937 9.065583 0.965671 Zn 9.823879 25.057063 25.394083 0.965671 Zn 26.152379 23.928437 7.262917 0.965671 Zn 22.833121 8.728563 23.591417 0.965671 Zn 9.065583 6.504621 7.599937 0.965671 Zn 25.394083 9.823879 25.057063 0.965671 Zn 7.262917 26.152379 23.928437 0.965671 Zn 23.591417 22.833121 8.728563 0.965671 Zn 7.599937 9.065583 6.504621 0.965671 Zn 25.057063 25.394083 9.823879 0.965671 Zn 23.928437 7.262917 26.152379 0.965671 Zn 8.728563 23.591417 22.833121 0.965671 Zn 9.261525 9.261525 9.261525 0.973497 Zn 7.066975 23.395475 25.590025 0.973497 Zn 23.395475 25.590025 7.066975 0.973497 Zn 25.590025 7.066975 23.395475 0.973497 Zn 26.152379 25.057063 23.591417 0.965671 Zn 22.833121 7.599937 7.262917 0.965671 Zn 6.504621 8.728563 25.394083 0.965671 Zn 9.823879 23.928437 9.065583 0.965671 Zn 23.591417 26.152379 25.057063 0.965671 Zn 7.262917 22.833121 7.599937 0.965671 Zn 25.394083 6.504621 8.728563 0.965671 Zn 9.065583 9.823879 23.928437 0.965671 Zn 25.057063 23.591417 26.152379 0.965671 Zn 7.599937 7.262917 22.833121 0.965671 Zn 8.728563 25.394083 6.504621 0.965671 Zn 23.928437 9.065583 9.823879 0.965671 Zn 23.395475 23.395475 23.395475 0.973497 Zn 25.590025 9.261525 7.066975 0.973497 Zn 9.261525 7.066975 25.590025 0.973497 Zn 7.066975 25.590025 9.261525 0.973497 H 8.386318 10.891109 13.115051 0.104322 H 4.967130 3.863323 10.032230 0.120526 H 8.454897 2.446009 8.732482 0.122310 H 5.117352 8.650839 12.716636 0.122440 H 6.482414 11.900211 19.574606 0.129974 H 2.939130 30.371010 11.181757 0.122063 H 6.717545 29.224749 11.596501 0.122979 H 7.419670 31.311532 10.835593 0.116573 H 7.805023 0.326570 9.392153 0.114355 H 7.703786 11.554047 15.227959 0.106133 H 7.217197 11.234008 17.504152 0.098640 H 4.385835 1.779806 10.793139 0.113214 H 2.612560 11.619361 18.287920 0.108665 H 3.631458 32.376150 10.476366 0.108010 H 3.504096 10.871515 16.171746 0.114718 H 4.487072 9.225602 14.878529 0.114908 H 7.942182 21.765891 29.443551 0.104322 H 11.361370 28.793677 26.360730 0.120526 H 7.873603 30.210991 25.060982 0.122310 H 11.211148 24.006161 29.045136 0.122440 H 9.846085 20.756789 3.246106 0.129974 H 13.389370 2.285990 27.510257 0.122063 H 9.610955 3.432251 27.925001 0.122979 H 8.908830 1.345468 27.164093 0.116573 H 8.523477 32.330430 25.720653 0.114355 H 8.624714 21.102953 31.556459 0.106133 H 9.111303 21.422992 1.175652 0.098640 H 11.942665 30.877193 27.121638 0.113214 H 13.715940 21.037639 1.959420 0.108665 H 12.697042 0.280850 26.804866 0.108010 H 12.824404 21.785485 32.500246 0.114718 H 11.841428 23.431397 31.207029 0.114908 H 24.270682 27.219609 3.213449 0.104322 H 27.689870 20.191823 6.296270 0.120526 H 24.202103 18.774509 7.596018 0.122310 H 27.539648 24.979339 3.611864 0.122440 H 26.174585 28.228711 29.410894 0.129974 H 29.717870 14.042510 5.146743 0.122063 H 25.939455 12.896249 4.731999 0.122979 H 25.237330 14.983032 5.492907 0.116573 H 24.851977 16.655070 6.936347 0.114355 H 24.953214 27.882547 1.100541 0.106133 H 25.439803 27.562508 31.481348 0.098640 H 28.271165 18.108306 5.535361 0.113214 H 30.044440 27.947861 30.697580 0.108665 H 29.025542 16.047650 5.852134 0.108010 H 29.152904 27.200015 0.156754 0.114718 H 28.169928 25.554102 1.449971 0.114908 H 24.714818 5.437391 19.541949 0.104322 H 21.295630 12.465177 22.624770 0.120526 H 24.783397 13.882491 23.924518 0.122310 H 21.445852 7.677661 19.940364 0.122440 H 22.810914 4.428289 13.082394 0.129974 H 19.267630 18.614490 21.475243 0.122063 H 23.046045 19.760751 21.060499 0.122979 H 23.748170 17.673968 21.821407 0.116573 H 24.133523 16.001930 23.264847 0.114355 H 24.032286 4.774453 17.429041 0.106133 H 23.545697 5.094492 15.152848 0.098640 H 20.714335 14.548693 21.863861 0.113214 H 18.941060 4.709139 14.369080 0.108665 H 19.959958 16.609350 22.180634 0.108010 H 19.832596 5.456985 16.485254 0.114718 H 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8.523477 32.330430 0.114355 H 31.556459 8.624714 21.102953 0.106133 H 1.175652 9.111303 21.422992 0.098640 H 27.121638 11.942665 30.877193 0.113214 H 1.959420 13.715940 21.037639 0.108665 H 26.804866 12.697042 0.280850 0.108010 H 32.500246 12.824404 21.785485 0.114718 H 31.207029 11.841428 23.431397 0.114908 H 3.213449 24.270682 27.219609 0.104322 H 6.296270 27.689870 20.191823 0.120526 H 7.596018 24.202103 18.774509 0.122310 H 3.611864 27.539648 24.979339 0.122440 H 29.410894 26.174585 28.228711 0.129974 H 5.146743 29.717870 14.042510 0.122063 H 4.731999 25.939455 12.896249 0.122979 H 5.492907 25.237330 14.983032 0.116573 H 6.936347 24.851977 16.655070 0.114355 H 1.100541 24.953214 27.882547 0.106133 H 31.481348 25.439803 27.562508 0.098640 H 5.535361 28.271165 18.108306 0.113214 H 30.697580 30.044440 27.947861 0.108665 H 5.852134 29.025542 16.047650 0.108010 H 0.156754 29.152904 27.200015 0.114718 H 1.449971 28.169928 25.554102 0.114908 H 19.541949 24.714818 5.437391 0.104322 H 22.624770 21.295630 12.465177 0.120526 H 23.924518 24.783397 13.882491 0.122310 H 19.940364 21.445852 7.677661 0.122440 H 13.082394 22.810914 4.428289 0.129974 H 21.475243 19.267630 18.614490 0.122063 H 21.060499 23.046045 19.760751 0.122979 H 21.821407 23.748170 17.673968 0.116573 H 23.264847 24.133523 16.001930 0.114355 H 17.429041 24.032286 4.774453 0.106133 H 15.152848 23.545697 5.094492 0.098640 H 21.863861 20.714335 14.548693 0.113214 H 14.369080 18.941060 4.709139 0.108665 H 22.180634 19.959958 16.609350 0.108010 H 16.485254 19.832596 5.456985 0.114718 H 17.778471 20.815572 7.102897 0.114908 H 10.891109 13.115051 8.386318 0.104322 H 3.863323 10.032230 4.967130 0.120526 H 2.446009 8.732482 8.454897 0.122310 H 8.650839 12.716636 5.117352 0.122440 H 11.900211 19.574606 6.482414 0.129974 H 30.371010 11.181757 2.939130 0.122063 H 29.224749 11.596501 6.717545 0.122979 H 31.311532 10.835593 7.419670 0.116573 H 0.326570 9.392153 7.805023 0.114355 H 11.554047 15.227959 7.703786 0.106133 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16.655070 0.114355 H 15.227959 8.624714 27.882547 0.106133 H 17.504152 9.111303 27.562508 0.098640 H 10.793139 11.942665 18.108306 0.113214 H 18.287920 13.715940 27.947861 0.108665 H 10.476366 12.697042 16.047650 0.108010 H 16.171746 12.824404 27.200015 0.114718 H 14.878529 11.841428 25.554102 0.114908 H 21.765891 19.541949 24.270682 0.104322 H 28.793677 22.624770 27.689870 0.120526 H 30.210991 23.924518 24.202103 0.122310 H 24.006161 19.940364 27.539648 0.122440 H 20.756789 13.082394 26.174585 0.129974 H 2.285990 21.475243 29.717870 0.122063 H 3.432251 21.060499 25.939455 0.122979 H 1.345468 21.821407 25.237330 0.116573 H 32.330430 23.264847 24.851977 0.114355 H 21.102953 17.429041 24.953214 0.106133 H 21.422992 15.152848 25.439803 0.098640 H 30.877193 21.863861 28.271165 0.113214 H 21.037639 14.369080 30.044440 0.108665 H 0.280850 22.180634 29.025542 0.108010 H 21.785485 16.485254 29.152904 0.114718 H 23.431397 17.778471 28.169928 0.114908 H 10.891109 3.213449 24.714818 0.104322 H 3.863323 6.296270 21.295630 0.120526 H 2.446009 7.596018 24.783397 0.122310 H 8.650839 3.611864 21.445852 0.122440 H 11.900211 29.410894 22.810914 0.129974 H 30.371010 5.146743 19.267630 0.122063 H 29.224749 4.731999 23.046045 0.122979 H 31.311532 5.492907 23.748170 0.116573 H 0.326570 6.936347 24.133523 0.114355 H 11.554047 1.100541 24.032286 0.106133 H 11.234008 31.481348 23.545697 0.098640 H 1.779806 5.535361 20.714335 0.113214 H 11.619361 30.697580 18.941060 0.108665 H 32.376150 5.852134 19.959958 0.108010 H 10.871515 0.156754 19.832596 0.114718 H 9.225602 1.449971 20.815572 0.114908 H 5.437391 29.443551 8.386318 0.104322 H 12.465177 26.360730 4.967130 0.120526 H 13.882491 25.060982 8.454897 0.122310 H 7.677661 29.045136 5.117352 0.122440 H 4.428289 3.246106 6.482414 0.129974 H 18.614490 27.510257 2.939130 0.122063 H 19.760751 27.925001 6.717545 0.122979 H 17.673968 27.164093 7.419670 0.116573 H 16.001930 25.720653 7.805023 0.114355 H 4.774453 31.556459 7.703786 0.106133 H 5.094492 1.175652 7.217197 0.098640 H 14.548693 27.121638 4.385835 0.113214 H 4.709139 1.959420 2.612560 0.108665 H 16.609350 26.804866 3.631458 0.108010 H 5.456985 32.500246 3.504096 0.114718 H 7.102897 31.207029 4.487072 0.114908 H 27.219609 13.115051 7.942182 0.104322 H 20.191823 10.032230 11.361370 0.120526 H 18.774509 8.732482 7.873603 0.122310 H 24.979339 12.716636 11.211148 0.122440 H 28.228711 19.574606 9.846085 0.129974 H 14.042510 11.181757 13.389370 0.122063 H 12.896249 11.596501 9.610955 0.122979 H 14.983032 10.835593 8.908830 0.116573 H 16.655070 9.392153 8.523477 0.114355 H 27.882547 15.227959 8.624714 0.106133 H 27.562508 17.504152 9.111303 0.098640 H 18.108306 10.793139 11.942665 0.113214 H 27.947861 18.287920 13.715940 0.108665 H 16.047650 10.476366 12.697042 0.108010 H 27.200015 16.171746 12.824404 0.114718 H 25.554102 14.878529 11.841428 0.114908 C 7.426202 9.333371 11.367902 0.607803 C 7.582955 10.567805 13.457950 -0.110724 C 5.554956 3.151400 9.934259 -0.087625 C 6.815516 3.347342 9.343168 -0.027634 C 6.861236 9.715457 12.723167 -0.037570 C 7.628675 2.318647 9.140694 -0.094637 C 7.233525 4.673217 8.876173 0.606187 C 5.643130 9.222337 13.226085 -0.092490 C 4.526260 11.861022 19.104345 0.195635 C 5.963168 10.574337 15.237756 0.089965 C 5.871729 11.720597 18.895340 -0.179774 C 3.850260 30.495107 11.136037 -0.193789 C 5.456985 10.985815 16.566896 0.062106 C 6.077468 29.858295 11.371167 -0.183090 C 6.511806 31.131918 10.917235 -0.130384 C 7.236791 1.035227 9.548907 -0.154003 C 7.161680 10.989080 14.728307 -0.149145 C 6.309332 11.305853 17.641311 -0.132068 C 5.202260 1.897372 10.365332 -0.157318 C 3.667381 11.547515 18.127901 -0.180321 C 5.587613 32.101831 10.603728 0.055819 C 4.274801 31.749135 10.708230 -0.133310 C 4.751593 29.531725 11.485467 0.203239 C 4.124579 11.090317 16.831418 -0.150414 C 6.025216 0.816425 10.179187 0.089018 C 5.244714 9.610955 14.502974 -0.160684 C 8.902298 23.323629 27.696402 0.607803 C 8.745545 22.089195 29.786450 -0.110724 C 10.773544 29.505599 26.262759 -0.087625 C 9.512984 29.309657 25.671668 -0.027634 C 9.467264 22.941542 29.051667 -0.037570 C 8.699825 30.338353 25.469194 -0.094637 C 9.094974 27.983783 25.204673 0.606187 C 10.685370 23.434663 29.554585 -0.092490 C 11.802240 20.795978 2.775845 0.195635 C 10.365332 22.082663 31.566256 0.089965 C 10.456771 20.936403 2.566840 -0.179774 C 12.478240 2.161893 27.464537 -0.193789 C 10.871515 21.671185 0.238396 0.062106 C 10.251032 2.798705 27.699667 -0.183090 C 9.816694 1.525082 27.245735 -0.130384 C 9.091709 31.621773 25.877407 -0.154003 C 9.166820 21.667919 31.056807 -0.149145 C 10.019168 21.351147 1.312811 -0.132068 C 11.126240 30.759628 26.693832 -0.157318 C 12.661119 21.109485 1.799401 -0.180321 C 10.740887 0.555169 26.932228 0.055819 C 12.053699 0.907865 27.036730 -0.133310 C 11.576906 3.125275 27.813967 0.203239 C 12.203921 21.566683 0.502918 -0.150414 C 10.303283 31.840575 26.507687 0.089018 C 11.083786 23.046045 30.831474 -0.160684 C 25.230798 25.661871 4.960598 0.607803 C 25.074045 26.896305 2.870550 -0.110724 C 27.102044 19.479900 6.394241 -0.087625 C 25.841484 19.675842 6.985332 -0.027634 C 25.795764 26.043957 3.605333 -0.037570 C 25.028325 18.647147 7.187806 -0.094637 C 25.423474 21.001717 7.452327 0.606187 C 27.013870 25.550837 3.102415 -0.092490 C 28.130740 28.189522 29.881155 0.195635 C 26.693832 26.902837 1.090744 0.089965 C 26.785271 28.049097 30.090160 -0.179774 C 28.806740 14.166607 5.192463 -0.193789 C 27.200015 27.314315 32.418604 0.062106 C 26.579532 13.529795 4.957333 -0.183090 C 26.145194 14.803418 5.411265 -0.130384 C 25.420209 17.363727 6.779593 -0.154003 C 25.495320 27.317580 1.600193 -0.149145 C 26.347668 27.634353 31.344189 -0.132068 C 27.454740 18.225872 5.963168 -0.157318 C 28.989619 27.876015 30.857599 -0.180321 C 27.069387 15.773331 5.724772 0.055819 C 28.382199 15.420635 5.620270 -0.133310 C 27.905406 13.203225 4.843033 0.203239 C 28.532421 27.418817 32.154082 -0.150414 C 26.631783 17.144925 6.149313 0.089018 C 27.412286 25.939455 1.825526 -0.160684 C 23.754702 6.995129 21.289098 0.607803 C 23.911455 5.760695 19.199050 -0.110724 C 21.883456 13.177099 22.722741 -0.087625 C 23.144016 12.981158 23.313832 -0.027634 C 23.189736 6.613043 19.933833 -0.037570 C 23.957175 14.009853 23.516306 -0.094637 C 23.562025 11.655283 23.780827 0.606187 C 21.971630 7.106163 19.430915 -0.092490 C 20.854760 4.467478 13.552655 0.195635 C 22.291668 5.754163 17.419244 0.089965 C 22.200229 4.607903 13.761660 -0.179774 C 20.178760 18.490393 21.520963 -0.193789 C 21.785485 5.342685 16.090104 0.062106 C 22.405968 19.127205 21.285833 -0.183090 C 22.840306 17.853582 21.739765 -0.130384 C 23.565291 15.293273 23.108093 -0.154003 C 23.490180 5.339419 17.928693 -0.149145 C 22.637832 5.022647 15.015689 -0.132068 C 21.530760 14.431128 22.291668 -0.157318 C 19.995881 4.780985 14.529099 -0.180321 C 21.916113 16.883669 22.053272 0.055819 C 20.603301 17.236365 21.948770 -0.133310 C 21.080093 19.453775 21.171533 0.203239 C 20.453079 5.238183 15.825582 -0.150414 C 22.353716 15.512075 22.477813 0.089018 C 21.573214 6.717545 18.154026 -0.160684 C 11.367902 7.426202 9.333371 0.607803 C 13.457950 7.582955 10.567805 -0.110724 C 9.934259 5.554956 3.151400 -0.087625 C 9.343168 6.815516 3.347342 -0.027634 C 12.723167 6.861236 9.715457 -0.037570 C 9.140694 7.628675 2.318647 -0.094637 C 8.876173 7.233525 4.673217 0.606187 C 13.226085 5.643130 9.222337 -0.092490 C 19.104345 4.526260 11.861022 0.195635 C 15.237756 5.963168 10.574337 0.089965 C 18.895340 5.871729 11.720597 -0.179774 C 11.136037 3.850260 30.495107 -0.193789 C 16.566896 5.456985 10.985815 0.062106 C 11.371167 6.077468 29.858295 -0.183090 C 10.917235 6.511806 31.131918 -0.130384 C 9.548907 7.236791 1.035227 -0.154003 C 14.728307 7.161680 10.989080 -0.149145 C 17.641311 6.309332 11.305853 -0.132068 C 10.365332 5.202260 1.897372 -0.157318 C 18.127901 3.667381 11.547515 -0.180321 C 10.603728 5.587613 32.101831 0.055819 C 10.708230 4.274801 31.749135 -0.133310 C 11.485467 4.751593 29.531725 0.203239 C 16.831418 4.124579 11.090317 -0.150414 C 10.179187 6.025216 0.816425 0.089018 C 14.502974 5.244714 9.610955 -0.160684 C 27.696402 8.902298 23.323629 0.607803 C 29.786450 8.745545 22.089195 -0.110724 C 26.262759 10.773544 29.505599 -0.087625 C 25.671668 9.512984 29.309657 -0.027634 C 29.051667 9.467264 22.941542 -0.037570 C 25.469194 8.699825 30.338353 -0.094637 C 25.204673 9.094974 27.983783 0.606187 C 29.554585 10.685370 23.434663 -0.092490 C 2.775845 11.802240 20.795978 0.195635 C 31.566256 10.365332 22.082663 0.089965 C 2.566840 10.456771 20.936403 -0.179774 C 27.464537 12.478240 2.161893 -0.193789 C 0.238396 10.871515 21.671185 0.062106 C 27.699667 10.251032 2.798705 -0.183090 C 27.245735 9.816694 1.525082 -0.130384 C 25.877407 9.091709 31.621773 -0.154003 C 31.056807 9.166820 21.667919 -0.149145 C 1.312811 10.019168 21.351147 -0.132068 C 26.693832 11.126240 30.759628 -0.157318 C 1.799401 12.661119 21.109485 -0.180321 C 26.932228 10.740887 0.555169 0.055819 C 27.036730 12.053699 0.907865 -0.133310 C 27.813967 11.576906 3.125275 0.203239 C 0.502918 12.203921 21.566683 -0.150414 C 26.507687 10.303283 31.840575 0.089018 C 30.831474 11.083786 23.046045 -0.160684 C 4.960598 25.230798 25.661871 0.607803 C 2.870550 25.074045 26.896305 -0.110724 C 6.394241 27.102044 19.479900 -0.087625 C 6.985332 25.841484 19.675842 -0.027634 C 3.605333 25.795764 26.043957 -0.037570 C 7.187806 25.028325 18.647147 -0.094637 C 7.452327 25.423474 21.001717 0.606187 C 3.102415 27.013870 25.550837 -0.092490 C 29.881155 28.130740 28.189522 0.195635 C 1.090744 26.693832 26.902837 0.089965 C 30.090160 26.785271 28.049097 -0.179774 C 5.192463 28.806740 14.166607 -0.193789 C 32.418604 27.200015 27.314315 0.062106 C 4.957333 26.579532 13.529795 -0.183090 C 5.411265 26.145194 14.803418 -0.130384 C 6.779593 25.420209 17.363727 -0.154003 C 1.600193 25.495320 27.317580 -0.149145 C 31.344189 26.347668 27.634353 -0.132068 C 5.963168 27.454740 18.225872 -0.157318 C 30.857599 28.989619 27.876015 -0.180321 C 5.724772 27.069387 15.773331 0.055819 C 5.620270 28.382199 15.420635 -0.133310 C 4.843033 27.905406 13.203225 0.203239 C 32.154082 28.532421 27.418817 -0.150414 C 6.149313 26.631783 17.144925 0.089018 C 1.825526 27.412286 25.939455 -0.160684 C 21.289098 23.754702 6.995129 0.607803 C 19.199050 23.911455 5.760695 -0.110724 C 22.722741 21.883456 13.177099 -0.087625 C 23.313832 23.144016 12.981158 -0.027634 C 19.933833 23.189736 6.613043 -0.037570 C 23.516306 23.957175 14.009853 -0.094637 C 23.780827 23.562025 11.655283 0.606187 C 19.430915 21.971630 7.106163 -0.092490 C 13.552655 20.854760 4.467478 0.195635 C 17.419244 22.291668 5.754163 0.089965 C 13.761660 22.200229 4.607903 -0.179774 C 21.520963 20.178760 18.490393 -0.193789 C 16.090104 21.785485 5.342685 0.062106 C 21.285833 22.405968 19.127205 -0.183090 C 21.739765 22.840306 17.853582 -0.130384 C 23.108093 23.565291 15.293273 -0.154003 C 17.928693 23.490180 5.339419 -0.149145 C 15.015689 22.637832 5.022647 -0.132068 C 22.291668 21.530760 14.431128 -0.157318 C 14.529099 19.995881 4.780985 -0.180321 C 22.053272 21.916113 16.883669 0.055819 C 21.948770 20.603301 17.236365 -0.133310 C 21.171533 21.080093 19.453775 0.203239 C 15.825582 20.453079 5.238183 -0.150414 C 22.477813 22.353716 15.512075 0.089018 C 18.154026 21.573214 6.717545 -0.160684 C 9.333371 11.367902 7.426202 0.607803 C 10.567805 13.457950 7.582955 -0.110724 C 3.151400 9.934259 5.554956 -0.087625 C 3.347342 9.343168 6.815516 -0.027634 C 9.715457 12.723167 6.861236 -0.037570 C 2.318647 9.140694 7.628675 -0.094637 C 4.673217 8.876173 7.233525 0.606187 C 9.222337 13.226085 5.643130 -0.092490 C 11.861022 19.104345 4.526260 0.195635 C 10.574337 15.237756 5.963168 0.089965 C 11.720597 18.895340 5.871729 -0.179774 C 30.495107 11.136037 3.850260 -0.193789 C 10.985815 16.566896 5.456985 0.062106 C 29.858295 11.371167 6.077468 -0.183090 C 31.131918 10.917235 6.511806 -0.130384 C 1.035227 9.548907 7.236791 -0.154003 C 10.989080 14.728307 7.161680 -0.149145 C 11.305853 17.641311 6.309332 -0.132068 C 1.897372 10.365332 5.202260 -0.157318 C 11.547515 18.127901 3.667381 -0.180321 C 32.101831 10.603728 5.587613 0.055819 C 31.749135 10.708230 4.274801 -0.133310 C 29.531725 11.485467 4.751593 0.203239 C 11.090317 16.831418 4.124579 -0.150414 C 0.816425 10.179187 6.025216 0.089018 C 9.610955 14.502974 5.244714 -0.160684 C 23.323629 27.696402 8.902298 0.607803 C 22.089195 29.786450 8.745545 -0.110724 C 29.505599 26.262759 10.773544 -0.087625 C 29.309657 25.671668 9.512984 -0.027634 C 22.941542 29.051667 9.467264 -0.037570 C 30.338353 25.469194 8.699825 -0.094637 C 27.983783 25.204673 9.094974 0.606187 C 23.434663 29.554585 10.685370 -0.092490 C 20.795978 2.775845 11.802240 0.195635 C 22.082663 31.566256 10.365332 0.089965 C 20.936403 2.566840 10.456771 -0.179774 C 2.161893 27.464537 12.478240 -0.193789 C 21.671185 0.238396 10.871515 0.062106 C 2.798705 27.699667 10.251032 -0.183090 C 1.525082 27.245735 9.816694 -0.130384 C 31.621773 25.877407 9.091709 -0.154003 C 21.667919 31.056807 9.166820 -0.149145 C 21.351147 1.312811 10.019168 -0.132068 C 30.759628 26.693832 11.126240 -0.157318 C 21.109485 1.799401 12.661119 -0.180321 C 0.555169 26.932228 10.740887 0.055819 C 0.907865 27.036730 12.053699 -0.133310 C 3.125275 27.813967 11.576906 0.203239 C 21.566683 0.502918 12.203921 -0.150414 C 31.840575 26.507687 10.303283 0.089018 C 23.046045 30.831474 11.083786 -0.160684 C 25.661871 4.960598 25.230798 0.607803 C 26.896305 2.870550 25.074045 -0.110724 C 19.479900 6.394241 27.102044 -0.087625 C 19.675842 6.985332 25.841484 -0.027634 C 26.043957 3.605333 25.795764 -0.037570 C 18.647147 7.187806 25.028325 -0.094637 C 21.001717 7.452327 25.423474 0.606187 C 25.550837 3.102415 27.013870 -0.092490 C 28.189522 29.881155 28.130740 0.195635 C 26.902837 1.090744 26.693832 0.089965 C 28.049097 30.090160 26.785271 -0.179774 C 14.166607 5.192463 28.806740 -0.193789 C 27.314315 32.418604 27.200015 0.062106 C 13.529795 4.957333 26.579532 -0.183090 C 14.803418 5.411265 26.145194 -0.130384 C 17.363727 6.779593 25.420209 -0.154003 C 27.317580 1.600193 25.495320 -0.149145 C 27.634353 31.344189 26.347668 -0.132068 C 18.225872 5.963168 27.454740 -0.157318 C 27.876015 30.857599 28.989619 -0.180321 C 15.773331 5.724772 27.069387 0.055819 C 15.420635 5.620270 28.382199 -0.133310 C 13.203225 4.843033 27.905406 0.203239 C 27.418817 32.154082 28.532421 -0.150414 C 17.144925 6.149313 26.631783 0.089018 C 25.939455 1.825526 27.412286 -0.160684 C 6.995129 21.289098 23.754702 0.607803 C 5.760695 19.199050 23.911455 -0.110724 C 13.177099 22.722741 21.883456 -0.087625 C 12.981158 23.313832 23.144016 -0.027634 C 6.613043 19.933833 23.189736 -0.037570 C 14.009853 23.516306 23.957175 -0.094637 C 11.655283 23.780827 23.562025 0.606187 C 7.106163 19.430915 21.971630 -0.092490 C 4.467478 13.552655 20.854760 0.195635 C 5.754163 17.419244 22.291668 0.089965 C 4.607903 13.761660 22.200229 -0.179774 C 18.490393 21.520963 20.178760 -0.193789 C 5.342685 16.090104 21.785485 0.062106 C 19.127205 21.285833 22.405968 -0.183090 C 17.853582 21.739765 22.840306 -0.130384 C 15.293273 23.108093 23.565291 -0.154003 C 5.339419 17.928693 23.490180 -0.149145 C 5.022647 15.015689 22.637832 -0.132068 C 14.431128 22.291668 21.530760 -0.157318 C 4.780985 14.529099 19.995881 -0.180321 C 16.883669 22.053272 21.916113 0.055819 C 17.236365 21.948770 20.603301 -0.133310 C 19.453775 21.171533 21.080093 0.203239 C 5.238183 15.825582 20.453079 -0.150414 C 15.512075 22.477813 22.353716 0.089018 C 6.717545 18.154026 21.573214 -0.160684 C 25.230798 23.323629 21.289098 0.607803 C 25.074045 22.089195 19.199050 -0.110724 C 27.102044 29.505599 22.722741 -0.087625 C 25.841484 29.309657 23.313832 -0.027634 C 25.795764 22.941542 19.933833 -0.037570 C 25.028325 30.338353 23.516306 -0.094637 C 25.423474 27.983783 23.780827 0.606187 C 27.013870 23.434663 19.430915 -0.092490 C 28.130740 20.795978 13.552655 0.195635 C 26.693832 22.082663 17.419244 0.089965 C 26.785271 20.936403 13.761660 -0.179774 C 28.806740 2.161893 21.520963 -0.193789 C 27.200015 21.671185 16.090104 0.062106 C 26.579532 2.798705 21.285833 -0.183090 C 26.145194 1.525082 21.739765 -0.130384 C 25.420209 31.621773 23.108093 -0.154003 C 25.495320 21.667919 17.928693 -0.149145 C 26.347668 21.351147 15.015689 -0.132068 C 27.454740 30.759628 22.291668 -0.157318 C 28.989619 21.109485 14.529099 -0.180321 C 27.069387 0.555169 22.053272 0.055819 C 28.382199 0.907865 21.948770 -0.133310 C 27.905406 3.125275 21.171533 0.203239 C 28.532421 21.566683 15.825582 -0.150414 C 26.631783 31.840575 22.477813 0.089018 C 27.412286 23.046045 18.154026 -0.160684 C 23.754702 9.333371 4.960598 0.607803 C 23.911455 10.567805 2.870550 -0.110724 C 21.883456 3.151400 6.394241 -0.087625 C 23.144016 3.347342 6.985332 -0.027634 C 23.189736 9.715457 3.605333 -0.037570 C 23.957175 2.318647 7.187806 -0.094637 C 23.562025 4.673217 7.452327 0.606187 C 21.971630 9.222337 3.102415 -0.092490 C 20.854760 11.861022 29.881155 0.195635 C 22.291668 10.574337 1.090744 0.089965 C 22.200229 11.720597 30.090160 -0.179774 C 20.178760 30.495107 5.192463 -0.193789 C 21.785485 10.985815 32.418604 0.062106 C 22.405968 29.858295 4.957333 -0.183090 C 22.840306 31.131918 5.411265 -0.130384 C 23.565291 1.035227 6.779593 -0.154003 C 23.490180 10.989080 1.600193 -0.149145 C 22.637832 11.305853 31.344189 -0.132068 C 21.530760 1.897372 5.963168 -0.157318 C 19.995881 11.547515 30.857599 -0.180321 C 21.916113 32.101831 5.724772 0.055819 C 20.603301 31.749135 5.620270 -0.133310 C 21.080093 29.531725 4.843033 0.203239 C 20.453079 11.090317 32.154082 -0.150414 C 22.353716 0.816425 6.149313 0.089018 C 21.573214 9.610955 1.825526 -0.160684 C 7.426202 6.995129 27.696402 0.607803 C 7.582955 5.760695 29.786450 -0.110724 C 5.554956 13.177099 26.262759 -0.087625 C 6.815516 12.981158 25.671668 -0.027634 C 6.861236 6.613043 29.051667 -0.037570 C 7.628675 14.009853 25.469194 -0.094637 C 7.233525 11.655283 25.204673 0.606187 C 5.643130 7.106163 29.554585 -0.092490 C 4.526260 4.467478 2.775845 0.195635 C 5.963168 5.754163 31.566256 0.089965 C 5.871729 4.607903 2.566840 -0.179774 C 3.850260 18.490393 27.464537 -0.193789 C 5.456985 5.342685 0.238396 0.062106 C 6.077468 19.127205 27.699667 -0.183090 C 6.511806 17.853582 27.245735 -0.130384 C 7.236791 15.293273 25.877407 -0.154003 C 7.161680 5.339419 31.056807 -0.149145 C 6.309332 5.022647 1.312811 -0.132068 C 5.202260 14.431128 26.693832 -0.157318 C 3.667381 4.780985 1.799401 -0.180321 C 5.587613 16.883669 26.932228 0.055819 C 4.274801 17.236365 27.036730 -0.133310 C 4.751593 19.453775 27.813967 0.203239 C 4.124579 5.238183 0.502918 -0.150414 C 6.025216 15.512075 26.507687 0.089018 C 5.244714 6.717545 30.831474 -0.160684 C 8.902298 25.661871 11.367902 0.607803 C 8.745545 26.896305 13.457950 -0.110724 C 10.773544 19.479900 9.934259 -0.087625 C 9.512984 19.675842 9.343168 -0.027634 C 9.467264 26.043957 12.723167 -0.037570 C 8.699825 18.647147 9.140694 -0.094637 C 9.094974 21.001717 8.876173 0.606187 C 10.685370 25.550837 13.226085 -0.092490 C 11.802240 28.189522 19.104345 0.195635 C 10.365332 26.902837 15.237756 0.089965 C 10.456771 28.049097 18.895340 -0.179774 C 12.478240 14.166607 11.136037 -0.193789 C 10.871515 27.314315 16.566896 0.062106 C 10.251032 13.529795 11.371167 -0.183090 C 9.816694 14.803418 10.917235 -0.130384 C 9.091709 17.363727 9.548907 -0.154003 C 9.166820 27.317580 14.728307 -0.149145 C 10.019168 27.634353 17.641311 -0.132068 C 11.126240 18.225872 10.365332 -0.157318 C 12.661119 27.876015 18.127901 -0.180321 C 10.740887 15.773331 10.603728 0.055819 C 12.053699 15.420635 10.708230 -0.133310 C 11.576906 13.203225 11.485467 0.203239 C 12.203921 27.418817 16.831418 -0.150414 C 10.303283 17.144925 10.179187 0.089018 C 11.083786 25.939455 14.502974 -0.160684 C 21.289098 25.230798 23.323629 0.607803 C 19.199050 25.074045 22.089195 -0.110724 C 22.722741 27.102044 29.505599 -0.087625 C 23.313832 25.841484 29.309657 -0.027634 C 19.933833 25.795764 22.941542 -0.037570 C 23.516306 25.028325 30.338353 -0.094637 C 23.780827 25.423474 27.983783 0.606187 C 19.430915 27.013870 23.434663 -0.092490 C 13.552655 28.130740 20.795978 0.195635 C 17.419244 26.693832 22.082663 0.089965 C 13.761660 26.785271 20.936403 -0.179774 C 21.520963 28.806740 2.161893 -0.193789 C 16.090104 27.200015 21.671185 0.062106 C 21.285833 26.579532 2.798705 -0.183090 C 21.739765 26.145194 1.525082 -0.130384 C 23.108093 25.420209 31.621773 -0.154003 C 17.928693 25.495320 21.667919 -0.149145 C 15.015689 26.347668 21.351147 -0.132068 C 22.291668 27.454740 30.759628 -0.157318 C 14.529099 28.989619 21.109485 -0.180321 C 22.053272 27.069387 0.555169 0.055819 C 21.948770 28.382199 0.907865 -0.133310 C 21.171533 27.905406 3.125275 0.203239 C 15.825582 28.532421 21.566683 -0.150414 C 22.477813 26.631783 31.840575 0.089018 C 18.154026 27.412286 23.046045 -0.160684 C 4.960598 23.754702 9.333371 0.607803 C 2.870550 23.911455 10.567805 -0.110724 C 6.394241 21.883456 3.151400 -0.087625 C 6.985332 23.144016 3.347342 -0.027634 C 3.605333 23.189736 9.715457 -0.037570 C 7.187806 23.957175 2.318647 -0.094637 C 7.452327 23.562025 4.673217 0.606187 C 3.102415 21.971630 9.222337 -0.092490 C 29.881155 20.854760 11.861022 0.195635 C 1.090744 22.291668 10.574337 0.089965 C 30.090160 22.200229 11.720597 -0.179774 C 5.192463 20.178760 30.495107 -0.193789 C 32.418604 21.785485 10.985815 0.062106 C 4.957333 22.405968 29.858295 -0.183090 C 5.411265 22.840306 31.131918 -0.130384 C 6.779593 23.565291 1.035227 -0.154003 C 1.600193 23.490180 10.989080 -0.149145 C 31.344189 22.637832 11.305853 -0.132068 C 5.963168 21.530760 1.897372 -0.157318 C 30.857599 19.995881 11.547515 -0.180321 C 5.724772 21.916113 32.101831 0.055819 C 5.620270 20.603301 31.749135 -0.133310 C 4.843033 21.080093 29.531725 0.203239 C 32.154082 20.453079 11.090317 -0.150414 C 6.149313 22.353716 0.816425 0.089018 C 1.825526 21.573214 9.610955 -0.160684 C 27.696402 7.426202 6.995129 0.607803 C 29.786450 7.582955 5.760695 -0.110724 C 26.262759 5.554956 13.177099 -0.087625 C 25.671668 6.815516 12.981158 -0.027634 C 29.051667 6.861236 6.613043 -0.037570 C 25.469194 7.628675 14.009853 -0.094637 C 25.204673 7.233525 11.655283 0.606187 C 29.554585 5.643130 7.106163 -0.092490 C 2.775845 4.526260 4.467478 0.195635 C 31.566256 5.963168 5.754163 0.089965 C 2.566840 5.871729 4.607903 -0.179774 C 27.464537 3.850260 18.490393 -0.193789 C 0.238396 5.456985 5.342685 0.062106 C 27.699667 6.077468 19.127205 -0.183090 C 27.245735 6.511806 17.853582 -0.130384 C 25.877407 7.236791 15.293273 -0.154003 C 31.056807 7.161680 5.339419 -0.149145 C 1.312811 6.309332 5.022647 -0.132068 C 26.693832 5.202260 14.431128 -0.157318 C 1.799401 3.667381 4.780985 -0.180321 C 26.932228 5.587613 16.883669 0.055819 C 27.036730 4.274801 17.236365 -0.133310 C 27.813967 4.751593 19.453775 0.203239 C 0.502918 4.124579 5.238183 -0.150414 C 26.507687 6.025216 15.512075 0.089018 C 30.831474 5.244714 6.717545 -0.160684 C 11.367902 8.902298 25.661871 0.607803 C 13.457950 8.745545 26.896305 -0.110724 C 9.934259 10.773544 19.479900 -0.087625 C 9.343168 9.512984 19.675842 -0.027634 C 12.723167 9.467264 26.043957 -0.037570 C 9.140694 8.699825 18.647147 -0.094637 C 8.876173 9.094974 21.001717 0.606187 C 13.226085 10.685370 25.550837 -0.092490 C 19.104345 11.802240 28.189522 0.195635 C 15.237756 10.365332 26.902837 0.089965 C 18.895340 10.456771 28.049097 -0.179774 C 11.136037 12.478240 14.166607 -0.193789 C 16.566896 10.871515 27.314315 0.062106 C 11.371167 10.251032 13.529795 -0.183090 C 10.917235 9.816694 14.803418 -0.130384 C 9.548907 9.091709 17.363727 -0.154003 C 14.728307 9.166820 27.317580 -0.149145 C 17.641311 10.019168 27.634353 -0.132068 C 10.365332 11.126240 18.225872 -0.157318 C 18.127901 12.661119 27.876015 -0.180321 C 10.603728 10.740887 15.773331 0.055819 C 10.708230 12.053699 15.420635 -0.133310 C 11.485467 11.576906 13.203225 0.203239 C 16.831418 12.203921 27.418817 -0.150414 C 10.179187 10.303283 17.144925 0.089018 C 14.502974 11.083786 25.939455 -0.160684 C 23.323629 21.289098 25.230798 0.607803 C 22.089195 19.199050 25.074045 -0.110724 C 29.505599 22.722741 27.102044 -0.087625 C 29.309657 23.313832 25.841484 -0.027634 C 22.941542 19.933833 25.795764 -0.037570 C 30.338353 23.516306 25.028325 -0.094637 C 27.983783 23.780827 25.423474 0.606187 C 23.434663 19.430915 27.013870 -0.092490 C 20.795978 13.552655 28.130740 0.195635 C 22.082663 17.419244 26.693832 0.089965 C 20.936403 13.761660 26.785271 -0.179774 C 2.161893 21.520963 28.806740 -0.193789 C 21.671185 16.090104 27.200015 0.062106 C 2.798705 21.285833 26.579532 -0.183090 C 1.525082 21.739765 26.145194 -0.130384 C 31.621773 23.108093 25.420209 -0.154003 C 21.667919 17.928693 25.495320 -0.149145 C 21.351147 15.015689 26.347668 -0.132068 C 30.759628 22.291668 27.454740 -0.157318 C 21.109485 14.529099 28.989619 -0.180321 C 0.555169 22.053272 27.069387 0.055819 C 0.907865 21.948770 28.382199 -0.133310 C 3.125275 21.171533 27.905406 0.203239 C 21.566683 15.825582 28.532421 -0.150414 C 31.840575 22.477813 26.631783 0.089018 C 23.046045 18.154026 27.412286 -0.160684 C 9.333371 4.960598 23.754702 0.607803 C 10.567805 2.870550 23.911455 -0.110724 C 3.151400 6.394241 21.883456 -0.087625 C 3.347342 6.985332 23.144016 -0.027634 C 9.715457 3.605333 23.189736 -0.037570 C 2.318647 7.187806 23.957175 -0.094637 C 4.673217 7.452327 23.562025 0.606187 C 9.222337 3.102415 21.971630 -0.092490 C 11.861022 29.881155 20.854760 0.195635 C 10.574337 1.090744 22.291668 0.089965 C 11.720597 30.090160 22.200229 -0.179774 C 30.495107 5.192463 20.178760 -0.193789 C 10.985815 32.418604 21.785485 0.062106 C 29.858295 4.957333 22.405968 -0.183090 C 31.131918 5.411265 22.840306 -0.130384 C 1.035227 6.779593 23.565291 -0.154003 C 10.989080 1.600193 23.490180 -0.149145 C 11.305853 31.344189 22.637832 -0.132068 C 1.897372 5.963168 21.530760 -0.157318 C 11.547515 30.857599 19.995881 -0.180321 C 32.101831 5.724772 21.916113 0.055819 C 31.749135 5.620270 20.603301 -0.133310 C 29.531725 4.843033 21.080093 0.203239 C 11.090317 32.154082 20.453079 -0.150414 C 0.816425 6.149313 22.353716 0.089018 C 9.610955 1.825526 21.573214 -0.160684 C 6.995129 27.696402 7.426202 0.607803 C 5.760695 29.786450 7.582955 -0.110724 C 13.177099 26.262759 5.554956 -0.087625 C 12.981158 25.671668 6.815516 -0.027634 C 6.613043 29.051667 6.861236 -0.037570 C 14.009853 25.469194 7.628675 -0.094637 C 11.655283 25.204673 7.233525 0.606187 C 7.106163 29.554585 5.643130 -0.092490 C 4.467478 2.775845 4.526260 0.195635 C 5.754163 31.566256 5.963168 0.089965 C 4.607903 2.566840 5.871729 -0.179774 C 18.490393 27.464537 3.850260 -0.193789 C 5.342685 0.238396 5.456985 0.062106 C 19.127205 27.699667 6.077468 -0.183090 C 17.853582 27.245735 6.511806 -0.130384 C 15.293273 25.877407 7.236791 -0.154003 C 5.339419 31.056807 7.161680 -0.149145 C 5.022647 1.312811 6.309332 -0.132068 C 14.431128 26.693832 5.202260 -0.157318 C 4.780985 1.799401 3.667381 -0.180321 C 16.883669 26.932228 5.587613 0.055819 C 17.236365 27.036730 4.274801 -0.133310 C 19.453775 27.813967 4.751593 0.203239 C 5.238183 0.502918 4.124579 -0.150414 C 15.512075 26.507687 6.025216 0.089018 C 6.717545 30.831474 5.244714 -0.160684 C 25.661871 11.367902 8.902298 0.607803 C 26.896305 13.457950 8.745545 -0.110724 C 19.479900 9.934259 10.773544 -0.087625 C 19.675842 9.343168 9.512984 -0.027634 C 26.043957 12.723167 9.467264 -0.037570 C 18.647147 9.140694 8.699825 -0.094637 C 21.001717 8.876173 9.094974 0.606187 C 25.550837 13.226085 10.685370 -0.092490 C 28.189522 19.104345 11.802240 0.195635 C 26.902837 15.237756 10.365332 0.089965 C 28.049097 18.895340 10.456771 -0.179774 C 14.166607 11.136037 12.478240 -0.193789 C 27.314315 16.566896 10.871515 0.062106 C 13.529795 11.371167 10.251032 -0.183090 C 14.803418 10.917235 9.816694 -0.130384 C 17.363727 9.548907 9.091709 -0.154003 C 27.317580 14.728307 9.166820 -0.149145 C 27.634353 17.641311 10.019168 -0.132068 C 18.225872 10.365332 11.126240 -0.157318 C 27.876015 18.127901 12.661119 -0.180321 C 15.773331 10.603728 10.740887 0.055819 C 15.420635 10.708230 12.053699 -0.133310 C 13.203225 11.485467 11.576906 0.203239 C 27.418817 16.831418 12.203921 -0.150414 C 17.144925 10.179187 10.303283 0.089018 C 25.939455 14.502974 11.083786 -0.160684 N 4.042937 12.285563 20.371437 -0.191828 N 12.285563 20.371437 4.042937 -0.191828 N 28.614063 28.614063 28.614063 -0.191828 N 20.371437 4.042937 12.285563 -0.191828 N 4.395306 28.261694 11.933194 -0.164451 N 11.933194 4.395306 28.261694 -0.164451 N 28.261694 11.933194 4.395306 -0.164451 N 20.723806 20.723806 20.723806 -0.164451 N 28.614063 20.371437 12.285563 -0.191828 N 20.371437 12.285563 28.614063 -0.191828 N 4.042937 4.042937 4.042937 -0.191828 N 12.285563 28.614063 20.371437 -0.191828 N 28.261694 4.395306 20.723806 -0.164451 N 20.723806 28.261694 4.395306 -0.164451 N 4.395306 20.723806 28.261694 -0.164451 N 11.933194 11.933194 11.933194 -0.164451 O 6.608797 8.443141 10.803262 -0.608092 O 8.461102 9.734399 10.957077 -0.487049 O 6.394894 5.672194 9.166493 -0.610587 O 8.304675 4.849564 8.307941 -0.512415 O 9.719703 24.213859 27.131762 -0.608092 O 7.867398 22.922601 27.285577 -0.487049 O 9.933606 26.984806 25.494993 -0.610587 O 8.023825 27.807435 24.636441 -0.512415 O 26.048203 24.771641 5.525238 -0.608092 O 24.195898 26.062899 5.371423 -0.487049 O 26.262106 22.000694 7.162007 -0.610587 O 24.352325 21.178064 8.020559 -0.512415 O 22.937297 7.885359 21.853738 -0.608092 O 24.789602 6.594101 21.699923 -0.487049 O 22.723394 10.656306 23.490507 -0.610587 O 24.633175 11.478935 24.349059 -0.512415 O 10.803262 6.608797 8.443141 -0.608092 O 10.957077 8.461102 9.734399 -0.487049 O 9.166493 6.394894 5.672194 -0.610587 O 8.307941 8.304675 4.849564 -0.512415 O 27.131762 9.719703 24.213859 -0.608092 O 27.285577 7.867398 22.922601 -0.487049 O 25.494993 9.933606 26.984806 -0.610587 O 24.636441 8.023825 27.807435 -0.512415 O 5.525238 26.048203 24.771641 -0.608092 O 5.371423 24.195898 26.062899 -0.487049 O 7.162007 26.262106 22.000694 -0.610587 O 8.020559 24.352325 21.178064 -0.512415 O 21.853738 22.937297 7.885359 -0.608092 O 21.699923 24.789602 6.594101 -0.487049 O 23.490507 22.723394 10.656306 -0.610587 O 24.349059 24.633175 11.478935 -0.512415 O 8.443141 10.803262 6.608797 -0.608092 O 9.734399 10.957077 8.461102 -0.487049 O 5.672194 9.166493 6.394894 -0.610587 O 4.849564 8.307941 8.304675 -0.512415 O 24.213859 27.131762 9.719703 -0.608092 O 22.922601 27.285577 7.867398 -0.487049 O 26.984806 25.494993 9.933606 -0.610587 O 27.807435 24.636441 8.023825 -0.512415 O 24.771641 5.525238 26.048203 -0.608092 O 26.062899 5.371423 24.195898 -0.487049 O 22.000694 7.162007 26.262106 -0.610587 O 21.178064 8.020559 24.352325 -0.512415 O 7.885359 21.853738 22.937297 -0.608092 O 6.594101 21.699923 24.789602 -0.487049 O 10.656306 23.490507 22.723394 -0.610587 O 11.478935 24.349059 24.633175 -0.512415 O 8.140410 8.140410 8.140410 -1.043671 O 8.188090 24.516590 24.468910 -1.043671 O 24.516590 24.468910 8.188090 -1.043671 O 24.468910 8.188090 24.516590 -1.043671 O 26.048203 24.213859 21.853738 -0.608092 O 24.195898 22.922601 21.699923 -0.487049 O 26.262106 26.984806 23.490507 -0.610587 O 24.352325 27.807435 24.349059 -0.512415 O 22.937297 8.443141 5.525238 -0.608092 O 24.789602 9.734399 5.371423 -0.487049 O 22.723394 5.672194 7.162007 -0.610587 O 24.633175 4.849564 8.020559 -0.512415 O 6.608797 7.885359 27.131762 -0.608092 O 8.461102 6.594101 27.285577 -0.487049 O 6.394894 10.656306 25.494993 -0.610587 O 8.304675 11.478935 24.636441 -0.512415 O 9.719703 24.771641 10.803262 -0.608092 O 7.867398 26.062899 10.957077 -0.487049 O 9.933606 22.000694 9.166493 -0.610587 O 8.023825 21.178064 8.307941 -0.512415 O 21.853738 26.048203 24.213859 -0.608092 O 21.699923 24.195898 22.922601 -0.487049 O 23.490507 26.262106 26.984806 -0.610587 O 24.349059 24.352325 27.807435 -0.512415 O 5.525238 22.937297 8.443141 -0.608092 O 5.371423 24.789602 9.734399 -0.487049 O 7.162007 22.723394 5.672194 -0.610587 O 8.020559 24.633175 4.849564 -0.512415 O 27.131762 6.608797 7.885359 -0.608092 O 27.285577 8.461102 6.594101 -0.487049 O 25.494993 6.394894 10.656306 -0.610587 O 24.636441 8.304675 11.478935 -0.512415 O 10.803262 9.719703 24.771641 -0.608092 O 10.957077 7.867398 26.062899 -0.487049 O 9.166493 9.933606 22.000694 -0.610587 O 8.307941 8.023825 21.178064 -0.512415 O 24.213859 21.853738 26.048203 -0.608092 O 22.922601 21.699923 24.195898 -0.487049 O 26.984806 23.490507 26.262106 -0.610587 O 27.807435 24.349059 24.352325 -0.512415 O 8.443141 5.525238 22.937297 -0.608092 O 9.734399 5.371423 24.789602 -0.487049 O 5.672194 7.162007 22.723394 -0.610587 O 4.849564 8.020559 24.633175 -0.512415 O 7.885359 27.131762 6.608797 -0.608092 O 6.594101 27.285577 8.461102 -0.487049 O 10.656306 25.494993 6.394894 -0.610587 O 11.478935 24.636441 8.304675 -0.512415 O 24.771641 10.803262 9.719703 -0.608092 O 26.062899 10.957077 7.867398 -0.487049 O 22.000694 9.166493 9.933606 -0.610587 O 21.178064 8.307941 8.023825 -0.512415 O 24.516590 24.516590 24.516590 -1.043671 O 24.468910 8.140410 8.188090 -1.043671 O 8.140410 8.188090 24.468910 -1.043671 O 8.188090 24.468910 8.140410 -1.043671 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 Zn 6.504621 7.599937 9.065583 0.965671 90.267300 0.17422167E+04 0.54747094E+05 16.825313 13.961214 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.046419 -0.015865 0.033600 0.059458 0.040046 -0.080935 -0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498626 19.652101 -0.159749 3.371457 24.442944 2.758802 20.400834 -0.000000 2 Zn 9.823879 25.057063 25.394083 0.965671 90.267295 0.17422164E+04 0.54747085E+05 16.825312 13.961213 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 0.046419 0.015865 0.033600 0.059458 0.040046 0.080935 0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498625 19.652103 -0.159752 -3.371461 24.442940 -2.758798 20.400833 -0.000000 3 Zn 26.152379 23.928437 7.262917 0.965671 90.267303 0.17422165E+04 0.54747085E+05 16.825313 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.046419 -0.015865 -0.033600 0.059458 -0.040046 -0.080935 0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498627 19.652106 0.159754 3.371462 24.442939 -2.758797 20.400837 -0.000000 4 Zn 22.833121 8.728563 23.591417 0.965671 90.267302 0.17422167E+04 0.54747095E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.046419 0.015865 -0.033600 0.059458 -0.040046 0.080935 -0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498626 19.652102 0.159750 -3.371457 24.442943 2.758801 20.400835 -0.000000 5 Zn 9.065583 6.504621 7.599937 0.965671 90.267300 0.17422167E+04 0.54747095E+05 16.825313 13.961214 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.033600 -0.046419 -0.015865 0.059458 -0.080935 -0.035782 0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498626 20.400834 3.371457 2.758802 19.652101 -0.159749 24.442944 -0.000000 6 Zn 25.394083 9.823879 25.057063 0.965671 90.267294 0.17422164E+04 0.54747084E+05 16.825312 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.033600 0.046419 0.015865 0.059458 0.080935 0.035782 0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498625 20.400833 -3.371461 -2.758798 19.652103 -0.159752 24.442939 -0.000000 7 Zn 7.262917 26.152379 23.928437 0.965671 90.267303 0.17422164E+04 0.54747085E+05 16.825313 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.033600 0.046419 -0.015865 0.059458 -0.080935 0.035782 -0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498627 20.400837 3.371462 -2.758797 19.652106 0.159754 24.442938 -0.000000 8 Zn 23.591417 22.833121 8.728563 0.965671 90.267302 0.17422167E+04 0.54747096E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 -0.033600 -0.046419 0.015865 0.059458 0.080935 -0.035782 -0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498627 20.400835 -3.371458 2.758801 19.652102 0.159750 24.442943 -0.000000 9 Zn 7.599937 9.065583 6.504621 0.965671 90.267301 0.17422167E+04 0.54747095E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 -0.015865 0.033600 -0.046419 0.059458 -0.035782 0.040046 -0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498627 24.442944 2.758802 -0.159749 20.400834 3.371457 19.652102 -0.000000 10 Zn 25.057063 25.394083 9.823879 0.965671 90.267294 0.17422164E+04 0.54747085E+05 16.825312 13.961213 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 0.015865 0.033600 0.046419 0.059458 0.035782 0.040046 0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498625 24.442940 -2.758798 -0.159752 20.400833 -3.371461 19.652103 -0.000000 11 Zn 23.928437 7.262917 26.152379 0.965671 90.267304 0.17422164E+04 0.54747085E+05 16.825313 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.015865 -0.033600 0.046419 0.059458 0.035782 -0.040046 -0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498627 24.442938 -2.758797 0.159754 20.400837 3.371462 19.652106 -0.000000 12 Zn 8.728563 23.591417 22.833121 0.965671 90.267302 0.17422167E+04 0.54747096E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 0.015865 -0.033600 -0.046419 0.059458 -0.035782 -0.040046 0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498627 24.442943 2.758801 0.159750 20.400835 -3.371457 19.652102 -0.000000 13 Zn 9.261525 9.261525 9.261525 0.973497 82.955014 0.16490244E+04 0.50966735E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008579 0.479541 0.413257 -1.131853 0.010234 0.010234 0.010234 0.017726 0.037610 0.037610 0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717020 -0.028020 -0.028020 19.717020 -0.028020 19.717020 -0.000001 14 Zn 7.066975 23.395475 25.590025 0.973497 82.955012 0.16490244E+04 0.50966735E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008579 0.479541 0.413257 -1.131853 -0.010234 -0.010234 0.010234 0.017726 0.037610 -0.037610 -0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717020 -0.028020 0.028019 19.717021 0.028020 19.717018 -0.000001 15 Zn 23.395475 25.590025 7.066975 0.973497 82.955012 0.16490244E+04 0.50966735E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008579 0.479541 0.413257 -1.131853 -0.010234 0.010234 -0.010234 0.017726 -0.037610 0.037610 -0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717020 0.028020 -0.028020 19.717018 0.028019 19.717020 -0.000001 16 Zn 25.590025 7.066975 23.395475 0.973497 82.955013 0.16490244E+04 0.50966736E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008580 0.479541 0.413257 -1.131853 0.010234 -0.010234 -0.010234 0.017726 -0.037610 -0.037610 0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717019 0.028019 0.028020 19.717020 -0.028020 19.717021 -0.000001 17 Zn 26.152379 25.057063 23.591417 0.965671 90.267304 0.17422165E+04 0.54747086E+05 16.825313 13.961214 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 0.046419 0.015865 -0.033600 0.059458 0.040046 -0.080935 -0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498628 19.652106 -0.159754 3.371463 24.442941 2.758796 20.400836 -0.000000 18 Zn 22.833121 7.599937 7.262917 0.965671 90.267305 0.17422167E+04 0.54747096E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.046419 -0.015865 -0.033600 0.059458 0.040046 0.080935 0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498627 19.652103 -0.159749 -3.371457 24.442944 -2.758801 20.400835 -0.000000 19 Zn 6.504621 8.728563 25.394083 0.965671 90.267296 0.17422167E+04 0.54747095E+05 16.825312 13.961215 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.046419 0.015865 0.033600 0.059458 -0.040046 -0.080935 0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498625 19.652101 0.159749 3.371457 24.442942 -2.758802 20.400833 -0.000000 20 Zn 9.823879 23.928437 9.065583 0.965671 90.267294 0.17422164E+04 0.54747084E+05 16.825312 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.046419 -0.015865 0.033600 0.059458 -0.040046 0.080935 -0.035782 0.095381 0.004226 -0.067274 -0.057556 0.124829 21.498625 19.652103 0.159752 -3.371460 24.442937 2.758798 20.400835 -0.000000 21 Zn 23.591417 26.152379 25.057063 0.965671 90.267303 0.17422164E+04 0.54747085E+05 16.825313 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.033600 0.046419 0.015865 0.059458 -0.080935 -0.035782 0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498627 20.400836 3.371463 2.758796 19.652106 -0.159754 24.442941 -0.000000 22 Zn 7.262917 22.833121 7.599937 0.965671 90.267306 0.17422167E+04 0.54747096E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935110 0.464592 0.419542 -1.124401 -0.033600 -0.046419 -0.015865 0.059458 0.080935 0.035782 0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498628 20.400835 -3.371457 -2.758801 19.652103 -0.159749 24.442945 -0.000000 23 Zn 25.394083 6.504621 8.728563 0.965671 90.267297 0.17422167E+04 0.54747094E+05 16.825312 13.961215 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.033600 -0.046419 0.015865 0.059458 -0.080935 0.035782 -0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498625 20.400833 3.371457 -2.758801 19.652101 0.159749 24.442942 -0.000000 24 Zn 9.065583 9.823879 23.928437 0.965671 90.267295 0.17422164E+04 0.54747085E+05 16.825312 13.961213 0.010257 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.033600 0.046419 -0.015865 0.059458 0.080935 -0.035782 -0.040046 -0.045577 -0.145184 -0.067274 -0.057556 0.124829 21.498625 20.400834 -3.371460 2.758798 19.652103 0.159752 24.442937 -0.000000 25 Zn 25.057063 23.591417 26.152379 0.965671 90.267303 0.17422164E+04 0.54747085E+05 16.825313 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.015865 -0.033600 0.046419 0.059458 -0.035782 0.040046 -0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498628 24.442940 2.758796 -0.159754 20.400836 3.371463 19.652106 -0.000000 26 Zn 7.599937 7.262917 22.833121 0.965671 90.267305 0.17422167E+04 0.54747095E+05 16.825313 13.961215 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.015865 -0.033600 -0.046419 0.059458 0.035782 0.040046 0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498627 24.442945 -2.758801 -0.159749 20.400835 -3.371457 19.652103 -0.000000 27 Zn 8.728563 25.394083 6.504621 0.965671 90.267297 0.17422167E+04 0.54747095E+05 16.825312 13.961215 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 0.015865 0.033600 -0.046419 0.059458 0.035782 -0.040046 -0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498625 24.442942 -2.758802 0.159749 20.400833 3.371457 19.652101 -0.000000 28 Zn 23.928437 9.065583 9.823879 0.965671 90.267294 0.17422164E+04 0.54747084E+05 16.825312 13.961213 0.010256 1.875335 0.998720 45.628775 125.935109 0.464592 0.419542 -1.124401 -0.015865 0.033600 0.046419 0.059458 -0.035782 -0.040046 0.080935 -0.049803 0.140958 -0.067274 -0.057556 0.124829 21.498625 24.442937 2.758798 0.159752 20.400835 -3.371460 19.652103 -0.000000 29 Zn 23.395475 23.395475 23.395475 0.973497 82.955010 0.16490244E+04 0.50966735E+05 15.820202 13.480571 0.055330 1.906270 0.998329 44.250988 120.008579 0.479541 0.413257 -1.131853 -0.010234 -0.010234 -0.010234 0.017726 0.037610 0.037610 0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717019 19.717019 -0.028019 -0.028019 19.717019 -0.028019 19.717019 -0.000001 30 Zn 25.590025 9.261525 7.066975 0.973497 82.955014 0.16490244E+04 0.50966735E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008579 0.479541 0.413257 -1.131853 0.010234 0.010234 -0.010234 0.017726 0.037610 -0.037610 -0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717020 -0.028020 0.028020 19.717020 0.028020 19.717021 -0.000001 31 Zn 9.261525 7.066975 25.590025 0.973497 82.955014 0.16490244E+04 0.50966736E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008580 0.479541 0.413257 -1.131853 0.010234 -0.010234 0.010234 0.017726 -0.037610 0.037610 -0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717020 0.028020 -0.028020 19.717021 0.028021 19.717020 -0.000001 32 Zn 7.066975 25.590025 9.261525 0.973497 82.955014 0.16490244E+04 0.50966736E+05 15.820203 13.480571 0.055330 1.906270 0.998329 44.250988 120.008580 0.479541 0.413257 -1.131853 -0.010234 0.010234 0.010234 0.017726 -0.037610 -0.037610 0.037610 -0.000000 0.000000 -0.037610 -0.037610 0.075221 19.717020 19.717021 0.028020 0.028020 19.717020 -0.028020 19.717020 -0.000001 33 H 8.386318 10.891109 13.115051 0.104322 1.084471 0.76953123E+01 0.75456496E+02 1.784335 1.647823 -1.300792 2.255394 0.993366 3.805638 10.947907 0.472073 1.323202 -0.697072 0.030189 0.013967 -0.012502 0.035535 0.010951 -0.003938 0.002749 0.003916 -0.000790 -0.012727 0.001323 0.011404 1.901509 2.321653 0.354203 -0.432368 1.524788 -0.073420 1.858087 -0.000000 34 H 4.967130 3.863323 10.032230 0.120526 1.139726 0.80939144E+01 0.77982400E+02 1.664103 1.559094 -0.942992 2.434258 0.998725 3.179648 8.215332 0.564483 1.126205 -0.747990 -0.028422 0.029890 0.004943 0.041541 -0.009777 -0.009617 -0.000486 0.010843 -0.033867 -0.015956 -0.003083 0.019039 1.734157 1.618890 -0.341867 -0.060679 2.206091 0.005551 1.377489 0.000000 35 H 8.454897 2.446009 8.732482 0.122310 1.109202 0.79789684E+01 0.76600151E+02 1.635711 1.549666 -0.913972 2.450325 0.998881 3.151787 8.128649 0.565279 1.128653 -0.747587 0.034851 0.002833 -0.017197 0.038966 -0.006051 -0.010779 0.001856 0.012778 -0.029492 -0.014392 -0.003490 0.017882 1.672682 1.967196 0.224699 -0.290103 1.606158 -0.136392 1.444691 0.000000 36 H 5.117352 8.650839 12.716636 0.122440 1.164600 0.82225205E+01 0.79730990E+02 1.708537 1.587052 -0.916387 2.449287 0.998963 3.196327 8.352049 0.549889 1.148706 -0.742464 -0.025320 -0.024381 -0.023255 0.042147 0.016157 0.001795 0.006556 0.011711 -0.005275 -0.017558 -0.001835 0.019393 1.783279 1.666733 0.309532 0.229993 1.710526 0.447236 1.972579 0.000000 37 H 6.482414 11.900211 19.574606 0.129974 1.086144 0.80619240E+01 0.79063163E+02 1.735436 1.654529 -0.906456 2.461980 0.998698 3.360280 9.311474 0.490489 1.273331 -0.711930 0.024510 0.005931 0.027612 0.037394 0.001595 0.005228 0.005979 0.022371 0.026055 -0.016930 0.002778 0.014152 1.782321 1.867257 -0.015241 0.307098 1.451724 0.204499 2.027983 0.000000 38 H 2.939130 30.371010 11.181757 0.122063 1.145479 0.84179297E+01 0.82596533E+02 1.730248 1.637520 -0.950753 2.430322 0.998827 3.282470 8.797335 0.522577 1.194535 -0.730875 -0.037946 0.004495 -0.001062 0.038226 -0.007625 0.002106 -0.008731 0.018873 -0.044891 -0.019418 -0.000922 0.020340 1.792734 2.260105 0.308372 -0.070707 1.742834 -0.110442 1.375264 -0.000000 39 H 6.717545 29.224749 11.596501 0.122979 1.037675 0.73416975E+01 0.70570054E+02 1.700060 1.587790 -0.959766 2.433066 0.998156 3.393924 9.412880 0.494836 1.287719 -0.707568 0.028274 -0.024013 0.005953 0.037569 -0.002432 0.000479 -0.006052 0.010863 -0.045335 -0.017027 0.003405 0.013623 1.806993 1.820544 -0.405909 0.169932 2.038695 -0.336799 1.561739 -0.000000 40 H 7.419670 31.311532 10.835593 0.116573 1.109164 0.80932899E+01 0.78141346E+02 1.650548 1.573270 -0.856779 2.473774 0.999224 3.185764 8.297436 0.553144 1.146865 -0.743012 0.037514 0.005025 -0.003927 0.038053 -0.002366 0.000447 -0.006203 0.011931 -0.047963 -0.017919 0.003415 0.014504 1.683070 1.999353 0.221051 -0.055034 1.660789 -0.168224 1.389067 -0.000000 41 H 7.805023 0.326570 9.392153 0.114355 1.109102 0.80191086E+01 0.77332636E+02 1.657552 1.571482 -0.840295 2.481257 0.999433 3.192452 8.339985 0.549978 1.154846 -0.740904 0.024167 -0.026376 -0.009663 0.037056 -0.005075 -0.012471 -0.001337 0.001814 -0.036892 -0.018904 0.004040 0.014864 1.707685 1.587693 -0.259751 -0.070180 2.151152 -0.038540 1.384211 -0.000000 42 H 7.703786 11.554047 15.227959 0.106133 1.236402 0.94444193E+01 0.96412497E+02 1.882016 1.781502 -1.179176 2.313496 0.995366 3.666915 10.385657 0.476123 1.260169 -0.713390 0.020206 0.020773 0.019700 0.035041 0.009709 -0.002750 0.010246 0.000017 0.013223 -0.016250 0.003297 0.012954 1.928582 1.980810 0.303235 0.140790 1.706901 0.320029 2.098036 -0.000000 43 H 7.217197 11.234008 17.504152 0.098640 1.131724 0.81942090E+01 0.81544613E+02 1.832704 1.699316 -1.248789 2.278256 0.993634 3.815826 11.025210 0.465742 1.321516 -0.697941 0.034372 -0.002848 -0.004155 0.034739 0.000991 0.000284 0.004554 0.020965 0.017428 -0.014450 0.006595 0.007855 1.929070 2.564506 -0.226833 -0.323169 1.393679 0.101137 1.829025 -0.000000 44 H 4.385835 1.779806 10.793139 0.113214 1.133928 0.82044691E+01 0.79311539E+02 1.657217 1.568949 -0.875949 2.459816 0.999076 3.211647 8.310286 0.563147 1.125118 -0.748213 -0.030087 -0.000694 0.017881 0.035007 -0.006055 -0.011643 -0.002290 0.002052 -0.032160 -0.017682 0.003343 0.014339 1.689069 1.859710 0.170623 -0.344466 1.688069 -0.123315 1.519429 0.000000 45 H 2.612560 11.619361 18.287920 0.108665 1.892099 0.15895813E+02 0.18154994E+03 2.359398 2.200145 -1.312878 2.216268 0.997054 3.960482 11.191110 0.469615 1.141960 -0.744377 -0.046445 -0.000622 0.001348 0.046469 0.002838 0.006287 0.011433 0.043576 -0.001070 -0.026593 0.002217 0.024375 2.479144 3.353682 -0.056286 -0.505476 1.766395 0.086335 2.317356 -0.000001 46 H 3.631458 32.376150 10.476366 0.108010 1.138141 0.81822382E+01 0.79088359E+02 1.665025 1.569274 -0.867637 2.460936 0.999102 3.226322 8.363479 0.561447 1.128643 -0.747200 -0.026104 0.021905 -0.010543 0.035671 -0.001930 0.002558 -0.007939 0.011183 -0.045704 -0.018421 0.004298 0.014123 1.723991 1.676200 -0.262976 0.092420 2.088258 -0.257014 1.407516 0.000000 47 H 3.504096 10.871515 16.171746 0.114718 1.212242 0.89277254E+01 0.88474980E+02 1.762626 1.661763 -0.968830 2.419021 0.998314 3.298013 8.746472 0.532841 1.159922 -0.739770 -0.026201 -0.008314 -0.026148 0.037939 0.000966 0.004021 0.005773 0.029611 0.007075 -0.017652 0.002492 0.015160 1.798002 1.855544 0.071925 0.271275 1.431408 0.267089 2.107055 -0.000001 48 H 4.487072 9.225602 14.878529 0.114908 1.175408 0.85414147E+01 0.83536582E+02 1.710223 1.611281 -0.895463 2.451928 0.998984 3.250622 8.504383 0.549434 1.139840 -0.744600 -0.027994 -0.019836 0.014381 0.037201 0.015817 -0.004549 0.005899 0.003803 0.003609 -0.019236 0.003885 0.015351 1.755676 1.962341 0.251059 -0.403449 1.507407 -0.002756 1.797282 0.000000 49 H 7.942182 21.765891 29.443551 0.104322 1.084471 0.76953124E+01 0.75456497E+02 1.784335 1.647823 -1.300792 2.255394 0.993366 3.805638 10.947907 0.472073 1.323202 -0.697072 -0.030189 -0.013967 -0.012502 0.035535 0.010951 0.003938 -0.002749 0.003916 -0.000790 -0.012727 0.001323 0.011404 1.901509 2.321653 0.354203 0.432368 1.524788 0.073419 1.858087 -0.000000 50 H 11.361370 28.793677 26.360730 0.120526 1.139726 0.80939081E+01 0.77982323E+02 1.664102 1.559093 -0.942992 2.434258 0.998725 3.179648 8.215331 0.564483 1.126205 -0.747990 0.028422 -0.029890 0.004943 0.041541 -0.009777 0.009617 0.000486 0.010843 -0.033867 -0.015956 -0.003083 0.019039 1.734155 1.618890 -0.341867 0.060679 2.206088 -0.005551 1.377488 0.000000 51 H 7.873603 30.210991 25.060982 0.122310 1.109202 0.79789682E+01 0.76600148E+02 1.635711 1.549666 -0.913972 2.450325 0.998881 3.151787 8.128649 0.565279 1.128653 -0.747587 -0.034851 -0.002833 -0.017197 0.038966 -0.006051 0.010779 -0.001856 0.012778 -0.029492 -0.014392 -0.003490 0.017882 1.672682 1.967196 0.224699 0.290103 1.606158 0.136392 1.444691 0.000000 52 H 11.211148 24.006161 29.045136 0.122440 1.164600 0.82225204E+01 0.79730988E+02 1.708537 1.587052 -0.916387 2.449287 0.998963 3.196327 8.352049 0.549889 1.148706 -0.742464 0.025320 0.024381 -0.023255 0.042147 0.016157 -0.001795 -0.006556 0.011711 -0.005275 -0.017558 -0.001835 0.019393 1.783279 1.666733 0.309532 -0.229993 1.710526 -0.447236 1.972579 0.000000 53 H 9.846085 20.756789 3.246106 0.129974 1.086145 0.80619285E+01 0.79063216E+02 1.735436 1.654530 -0.906456 2.461980 0.998698 3.360280 9.311474 0.490489 1.273331 -0.711930 -0.024510 -0.005931 0.027612 0.037394 0.001595 -0.005228 -0.005979 0.022371 0.026055 -0.016930 0.002778 0.014152 1.782321 1.867258 -0.015241 -0.307098 1.451724 -0.204499 2.027982 0.000000 54 H 13.389370 2.285990 27.510257 0.122063 1.145479 0.84179260E+01 0.82596490E+02 1.730248 1.637520 -0.950753 2.430322 0.998827 3.282469 8.797333 0.522577 1.194536 -0.730875 0.037946 -0.004495 -0.001062 0.038226 -0.007625 -0.002106 0.008731 0.018873 -0.044891 -0.019418 -0.000922 0.020340 1.792734 2.260105 0.308372 0.070707 1.742834 0.110442 1.375264 -0.000000 55 H 9.610955 3.432251 27.925001 0.122979 1.037675 0.73416938E+01 0.70570016E+02 1.700061 1.587791 -0.959766 2.433066 0.998156 3.393923 9.412880 0.494835 1.287720 -0.707568 -0.028274 0.024013 0.005953 0.037569 -0.002432 -0.000479 0.006052 0.010863 -0.045335 -0.017027 0.003405 0.013623 1.806993 1.820545 -0.405910 -0.169932 2.038695 0.336799 1.561739 -0.000000 56 H 8.908830 1.345468 27.164093 0.116573 1.109164 0.80932899E+01 0.78141346E+02 1.650548 1.573270 -0.856779 2.473774 0.999224 3.185764 8.297436 0.553144 1.146865 -0.743012 -0.037514 -0.005025 -0.003927 0.038053 -0.002366 -0.000447 0.006203 0.011931 -0.047963 -0.017919 0.003415 0.014504 1.683070 1.999353 0.221051 0.055034 1.660789 0.168224 1.389067 -0.000000 57 H 8.523477 32.330430 25.720653 0.114355 1.109102 0.80191095E+01 0.77332648E+02 1.657553 1.571482 -0.840295 2.481257 0.999433 3.192452 8.339986 0.549978 1.154846 -0.740904 -0.024167 0.026376 -0.009663 0.037056 -0.005075 0.012471 0.001337 0.001814 -0.036892 -0.018904 0.004040 0.014864 1.707686 1.587694 -0.259751 0.070180 2.151153 0.038540 1.384211 -0.000000 58 H 8.624714 21.102953 31.556459 0.106133 1.236401 0.94444139E+01 0.96412430E+02 1.882015 1.781502 -1.179176 2.313496 0.995366 3.666915 10.385657 0.476123 1.260169 -0.713390 -0.020206 -0.020773 0.019700 0.035041 0.009709 0.002750 -0.010246 0.000017 0.013223 -0.016250 0.003297 0.012954 1.928582 1.980809 0.303235 -0.140790 1.706900 -0.320029 2.098036 -0.000000 59 H 9.111303 21.422992 1.175652 0.098640 1.131724 0.81942090E+01 0.81544613E+02 1.832704 1.699316 -1.248789 2.278256 0.993634 3.815826 11.025210 0.465742 1.321516 -0.697941 -0.034372 0.002848 -0.004155 0.034739 0.000991 -0.000284 -0.004554 0.020965 0.017428 -0.014450 0.006595 0.007855 1.929070 2.564506 -0.226833 0.323169 1.393679 -0.101137 1.829025 -0.000000 60 H 11.942665 30.877193 27.121638 0.113214 1.133928 0.82044645E+01 0.79311486E+02 1.657217 1.568948 -0.875949 2.459816 0.999076 3.211647 8.310286 0.563147 1.125118 -0.748213 0.030087 0.000694 0.017881 0.035007 -0.006055 0.011643 0.002290 0.002052 -0.032160 -0.017682 0.003343 0.014339 1.689069 1.859710 0.170623 0.344465 1.688069 0.123314 1.519428 0.000000 61 H 13.715940 21.037639 1.959420 0.108665 1.892099 0.15895812E+02 0.18154991E+03 2.359398 2.200144 -1.312878 2.216268 0.997054 3.960482 11.191109 0.469615 1.141960 -0.744377 0.046445 0.000622 0.001348 0.046469 0.002838 -0.006287 -0.011433 0.043576 -0.001070 -0.026593 0.002217 0.024375 2.479144 3.353682 -0.056286 0.505476 1.766394 -0.086335 2.317356 -0.000001 62 H 12.697042 0.280850 26.804866 0.108010 1.138141 0.81822382E+01 0.79088359E+02 1.665025 1.569274 -0.867637 2.460936 0.999102 3.226322 8.363479 0.561447 1.128643 -0.747200 0.026104 -0.021905 -0.010543 0.035671 -0.001930 -0.002558 0.007939 0.011183 -0.045705 -0.018421 0.004298 0.014123 1.723991 1.676200 -0.262976 -0.092420 2.088258 0.257014 1.407516 0.000000 63 H 12.824404 21.785485 32.500246 0.114718 1.212242 0.89277247E+01 0.88474969E+02 1.762626 1.661763 -0.968830 2.419021 0.998314 3.298013 8.746471 0.532841 1.159922 -0.739770 0.026201 0.008314 -0.026148 0.037939 0.000966 -0.004021 -0.005773 0.029611 0.007075 -0.017652 0.002492 0.015160 1.798002 1.855544 0.071925 -0.271275 1.431407 -0.267089 2.107055 -0.000001 64 H 11.841428 23.431397 31.207029 0.114908 1.175407 0.85414109E+01 0.83536534E+02 1.710222 1.611280 -0.895463 2.451928 0.998984 3.250622 8.504382 0.549434 1.139840 -0.744600 0.027994 0.019836 0.014381 0.037201 0.015817 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0.12546032E+05 8.775149 6.919878 0.636057 2.240176 0.998873 27.852936 71.577845 0.755813 0.340570 -1.160291 0.024383 -0.003688 -0.008423 0.026059 0.039051 -0.066166 0.011844 0.048342 -0.030947 -0.078786 -0.005905 0.084691 11.241974 20.920877 0.493814 -2.068109 5.813126 -0.382017 6.991919 0.000000 1144 O 27.807435 24.349059 24.352325 -0.512415 31.440915 0.42170799E+03 0.95236677E+04 7.840304 6.238813 0.488418 2.231001 0.997930 25.941740 65.713558 0.783593 0.346117 -1.151471 0.001607 -0.012791 0.014961 0.019749 -0.003670 0.036963 -0.000480 -0.107218 0.067979 -0.078540 0.035731 0.042809 9.710914 11.246009 -2.939062 5.069494 6.902225 -3.167808 10.984508 0.000000 1145 O 8.443141 5.525238 22.937297 -0.608092 39.074441 0.52422743E+03 0.12458085E+05 9.031676 6.909845 0.596878 2.231090 0.998550 27.763210 71.340342 0.754617 0.341545 -1.159270 0.006609 -0.026556 -0.004975 0.027815 -0.021805 0.038197 -0.054718 0.052839 0.001572 -0.069970 -0.009229 0.079199 11.880220 11.037928 -7.344211 2.989632 16.603838 -2.816713 7.998893 0.000000 1146 O 9.734399 5.371423 24.789602 -0.487049 31.624642 0.41637813E+03 0.93855317E+04 7.889081 6.257031 0.592331 2.281437 0.998092 25.403433 64.560270 0.770646 0.352598 -1.144667 -0.007065 -0.018551 -0.014741 0.024725 0.046975 -0.028975 0.011038 0.020095 0.046934 -0.065028 0.015746 0.049281 9.713475 5.862339 -0.439697 1.392683 11.794562 5.188156 11.483524 0.000000 1147 O 5.672194 7.162007 22.723394 -0.610587 37.543882 0.52725548E+03 0.12546025E+05 8.775149 6.919876 0.636057 2.240176 0.998873 27.852936 71.577845 0.755813 0.340570 -1.160291 -0.024383 -0.003688 0.008423 0.026059 -0.039051 -0.066166 -0.011844 0.048342 -0.030947 -0.078786 -0.005905 0.084691 11.241975 20.920882 -0.493816 -2.068110 5.813126 0.382017 6.991918 0.000000 1148 O 4.849564 8.020559 24.633175 -0.512415 31.440907 0.42170827E+03 0.95236754E+04 7.840303 6.238815 0.488418 2.231001 0.997930 25.941740 65.713557 0.783592 0.346117 -1.151471 -0.001607 -0.012791 -0.014961 0.019749 0.003670 0.036963 0.000480 -0.107218 0.067979 -0.078540 0.035731 0.042809 9.710909 11.246002 2.939057 5.069487 6.902223 3.167805 10.984503 0.000000 1149 O 7.885359 27.131762 6.608797 -0.608092 39.074439 0.52422741E+03 0.12458084E+05 9.031675 6.909844 0.596878 2.231090 0.998550 27.763211 71.340342 0.754617 0.341545 -1.159270 -0.006609 0.026556 -0.004975 0.027815 -0.021805 -0.038197 0.054718 0.052839 0.001572 -0.069970 -0.009229 0.079199 11.880218 11.037928 -7.344210 -2.989632 16.603835 2.816713 7.998892 0.000000 1150 O 6.594101 27.285577 8.461102 -0.487049 31.624642 0.41637814E+03 0.93855320E+04 7.889081 6.257031 0.592331 2.281437 0.998092 25.403433 64.560271 0.770646 0.352598 -1.144667 0.007065 0.018551 -0.014741 0.024725 0.046975 0.028975 -0.011038 0.020095 0.046934 -0.065028 0.015746 0.049281 9.713475 5.862339 -0.439698 -1.392683 11.794561 -5.188156 11.483524 0.000000 1151 O 10.656306 25.494993 6.394894 -0.610587 37.543875 0.52725547E+03 0.12546025E+05 8.775148 6.919876 0.636057 2.240176 0.998873 27.852936 71.577845 0.755813 0.340570 -1.160291 0.024383 0.003688 0.008423 0.026059 -0.039051 0.066166 0.011844 0.048342 -0.030947 -0.078786 -0.005905 0.084691 11.241973 20.920875 -0.493816 2.068109 5.813126 -0.382017 6.991918 0.000000 1152 O 11.478935 24.636441 8.304675 -0.512415 31.440917 0.42170829E+03 0.95236759E+04 7.840305 6.238815 0.488418 2.231001 0.997930 25.941740 65.713558 0.783592 0.346117 -1.151471 0.001607 0.012791 -0.014961 0.019749 0.003670 -0.036963 -0.000480 -0.107218 0.067979 -0.078540 0.035731 0.042809 9.710913 11.246008 2.939060 -5.069492 6.902224 -3.167806 10.984506 0.000000 1153 O 24.771641 10.803262 9.719703 -0.608092 39.074441 0.52422744E+03 0.12458085E+05 9.031675 6.909845 0.596878 2.231090 0.998550 27.763211 71.340343 0.754617 0.341545 -1.159270 0.006609 0.026556 0.004975 0.027815 0.021805 -0.038197 -0.054718 0.052839 0.001572 -0.069970 -0.009229 0.079199 11.880219 11.037927 7.344210 -2.989632 16.603838 -2.816713 7.998893 0.000000 1154 O 26.062899 10.957077 7.867398 -0.487049 31.624642 0.41637813E+03 0.93855316E+04 7.889081 6.257031 0.592331 2.281437 0.998092 25.403433 64.560270 0.770646 0.352598 -1.144667 -0.007065 0.018551 0.014741 0.024725 -0.046975 0.028975 0.011038 0.020095 0.046934 -0.065028 0.015746 0.049281 9.713475 5.862339 0.439698 -1.392683 11.794561 5.188156 11.483524 0.000000 1155 O 22.000694 9.166493 9.933606 -0.610587 37.543881 0.52725570E+03 0.12546032E+05 8.775149 6.919878 0.636057 2.240176 0.998873 27.852936 71.577845 0.755813 0.340570 -1.160291 -0.024383 0.003688 -0.008423 0.026059 0.039051 0.066166 -0.011844 0.048342 -0.030947 -0.078786 -0.005905 0.084691 11.241973 20.920873 0.493816 2.068110 5.813127 0.382017 6.991920 0.000000 1156 O 21.178064 8.307941 8.023825 -0.512415 31.440898 0.42170797E+03 0.95236669E+04 7.840301 6.238813 0.488418 2.231001 0.997930 25.941740 65.713557 0.783593 0.346117 -1.151471 -0.001607 0.012791 0.014961 0.019749 -0.003670 -0.036963 0.000480 -0.107218 0.067979 -0.078540 0.035731 0.042809 9.710907 11.246000 -2.939058 -5.069486 6.902222 3.167805 10.984501 0.000000 1157 O 24.516590 24.516590 24.516590 -1.043671 58.382328 0.13020543E+04 0.38758286E+05 11.328890 10.537777 0.018902 1.921652 0.998433 37.676747 107.562565 0.643384 0.319816 -1.181123 -0.001559 -0.001559 -0.001559 0.002700 0.004153 0.004153 0.004153 0.000000 -0.000000 -0.004153 -0.004153 0.008305 13.238183 13.238184 1.061681 1.061681 13.238183 1.061681 13.238184 0.000000 1158 O 24.468910 8.140410 8.188090 -1.043671 58.382327 0.13020543E+04 0.38758286E+05 11.328890 10.537777 0.018902 1.921652 0.998433 37.676747 107.562565 0.643384 0.319816 -1.181123 0.001559 0.001559 -0.001559 0.002700 0.004153 -0.004153 -0.004153 0.000000 -0.000000 -0.004153 -0.004153 0.008305 13.238183 13.238183 1.061681 -1.061680 13.238183 -1.061680 13.238184 0.000000 1159 O 8.140410 8.188090 24.468910 -1.043671 58.382327 0.13020543E+04 0.38758286E+05 11.328890 10.537777 0.018902 1.921652 0.998433 37.676747 107.562565 0.643384 0.319816 -1.181123 0.001559 -0.001559 0.001559 0.002700 -0.004153 0.004153 -0.004153 0.000000 -0.000000 -0.004153 -0.004153 0.008305 13.238183 13.238183 -1.061680 1.061681 13.238184 -1.061680 13.238183 0.000000 1160 O 8.188090 24.468910 8.140410 -1.043671 58.382327 0.13020543E+04 0.38758286E+05 11.328890 10.537777 0.018902 1.921652 0.998433 37.676747 107.562565 0.643384 0.319816 -1.181123 -0.001559 0.001559 0.001559 0.002700 -0.004153 -0.004153 0.004153 -0.000000 -0.000000 -0.004153 -0.004153 0.008305 13.238183 13.238184 -1.061680 -1.061680 13.238183 1.061681 13.238183 0.000000 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000002 The total net atomic charge of the unit cell is -0.000024 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= 4601148 The rms potential error without charges in kcal/mol is= 2.69673 The rms potential error with partial charges in kcal/mol is= 0.58626 The RRMSE value at monopole order= 0.21740 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.59484 The RRMSE value at monopole order with cloud penetration is= 0.22058 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.27279 The RRMSE value at dipole order= 0.10115 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.26892 The RRMSE value at dipole order with cloud penetration= 0.09972 ****************************************************** 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.