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0.054820 C 29.455142 11.997170 17.472663 -0.091992 C 31.723652 8.133780 19.033424 -0.289784 C 32.512157 7.348484 19.909953 0.219802 C 32.823224 10.137314 19.797963 0.022832 C 30.360703 10.671313 15.712504 -0.103491 C 33.033492 11.543201 19.766004 -0.206555 C 31.056268 10.263233 17.981262 0.099291 C 33.442106 7.934657 20.722838 -0.085603 C 31.879457 9.488316 18.958855 0.048925 C 30.193248 11.254484 18.393441 -0.147474 C 31.114796 9.959220 16.639292 -0.149942 C 33.904912 12.185097 20.592547 0.063065 C 34.563626 10.026963 21.482187 -0.139857 C 34.108948 17.980728 20.500770 0.601051 C 35.140508 14.339133 20.750972 -0.149975 C 32.820785 14.439378 20.375942 -0.146497 C 34.084833 16.482244 20.504047 -0.029414 C 33.974008 13.678118 20.577797 0.092635 C 34.682308 11.382318 21.464705 -0.138907 C 32.854927 15.805932 20.366928 -0.095987 C 35.222339 15.726720 20.707269 -0.096413 C 31.710917 5.288136 18.959128 0.068858 C 31.998139 3.854661 19.153063 -0.476015 C 25.450294 12.186732 14.820952 0.595992 C 24.632253 11.192478 15.611440 -0.016819 C 20.569148 6.626555 17.962688 0.054832 C 24.737658 9.842039 15.317534 -0.092003 C 22.469148 8.281280 19.180924 -0.289983 C 21.680643 7.404752 19.966221 0.219755 C 21.369576 7.516740 17.177391 0.022882 C 23.832097 11.602199 16.643389 -0.103629 C 21.159308 7.548698 15.771504 -0.206605 C 23.136532 9.333441 17.051470 0.099392 C 20.750694 6.591866 19.380048 -0.085452 C 22.313343 8.355848 17.826388 0.048959 C 23.999552 8.921261 16.060220 -0.147337 C 23.078004 10.675412 17.355483 -0.150028 C 20.287888 6.722155 15.129608 0.063190 C 19.629174 5.832517 17.287742 -0.139634 C 20.083852 6.813929 9.333977 0.601103 C 19.052292 6.563728 12.975572 -0.149786 C 21.372015 6.938759 12.875327 -0.146322 C 20.107967 6.810652 10.832461 -0.029563 C 20.218792 6.736904 13.636587 0.092809 C 19.510492 5.849997 15.932387 -0.138378 C 21.337873 6.947772 11.508773 -0.096033 C 18.970461 6.607431 11.587985 -0.096350 C 22.481883 8.355577 22.026568 0.068847 C 22.194661 8.161644 23.460044 -0.476046 C 38.998494 1.470638 26.151087 0.597695 C 38.180453 2.464893 25.360600 -0.021438 C 34.117348 7.030815 23.009351 0.055220 C 38.285858 3.815331 25.654506 -0.093260 C 36.017348 5.376091 21.791116 -0.286774 C 35.228843 6.252619 21.005818 0.221146 C 34.917776 6.140630 23.794649 0.023682 C 37.380297 2.055172 24.328651 -0.101347 C 34.707508 6.108673 25.200536 -0.207680 C 36.684732 4.323930 23.920569 0.098383 C 34.298894 7.065504 21.591992 -0.090746 C 35.861543 5.301522 23.145651 0.048942 C 37.547752 4.736109 24.911819 -0.147647 C 36.626204 2.981959 23.616557 -0.151698 C 33.836088 6.935216 25.842431 0.064398 C 33.177374 7.824854 23.684297 -0.139034 C 20.083852 6.843426 4.323370 0.601016 C 19.052292 7.093626 0.681775 -0.149904 C 21.372015 6.718595 0.782020 -0.143115 C 20.107967 6.846703 2.824886 -0.029873 C 20.218792 6.920451 0.020759 0.090433 C 33.058692 7.807373 25.039652 -0.138899 C 21.337873 6.709582 2.148574 -0.097879 C 18.970461 7.049923 2.069361 -0.094689 C 36.030083 5.301793 18.945471 0.066480 C 35.742861 5.495726 17.511996 -0.475992 C 38.998494 26.151088 1.470623 0.597697 C 38.180453 25.360601 2.464878 -0.021545 C 34.117348 23.009355 7.030802 0.055230 C 38.285858 25.654508 3.815316 -0.093267 C 36.017348 21.791119 5.376078 -0.286972 C 35.228843 21.005822 6.252606 0.221100 C 34.917776 23.794652 6.140616 0.023732 C 37.380297 24.328652 2.055158 -0.101480 C 34.707508 25.200539 6.108658 -0.207726 C 36.684732 23.920572 4.323916 0.098482 C 34.298894 21.591996 7.065492 -0.090582 C 35.861543 23.145655 5.301509 0.048979 C 37.547752 24.911822 4.736095 -0.147509 C 36.626204 23.616558 2.981945 -0.151782 C 33.836088 25.842435 6.935201 0.064527 C 33.177374 23.684302 7.824840 -0.138803 C 20.083852 4.323374 6.843423 0.601068 C 19.052292 0.681779 7.093626 -0.149714 C 21.372015 0.782024 6.718595 -0.142940 C 20.107967 2.824890 6.846701 -0.030021 C 20.218792 0.020763 6.920451 0.090602 C 33.058692 25.039657 7.807359 -0.138374 C 21.337873 2.148578 6.709581 -0.097924 C 18.970461 2.069365 7.049922 -0.094625 C 36.030083 18.945474 5.301782 0.066469 C 35.742861 17.511999 5.495716 -0.476022 C 25.450294 14.820960 12.186723 0.596003 C 24.632253 15.611446 11.192469 -0.016726 C 20.569148 17.962692 6.626545 0.054820 C 24.737658 15.317539 9.842030 -0.091994 C 22.469148 19.180929 8.281269 -0.289785 C 21.680643 19.966225 7.404740 0.219802 C 21.369576 17.177395 7.516730 0.022832 C 23.832097 16.643396 11.602189 -0.103489 C 21.159308 15.771508 7.548689 -0.206555 C 23.136532 17.051476 9.333431 0.099292 C 20.750694 19.380052 6.591855 -0.085603 C 22.313343 17.826393 8.355838 0.048925 C 23.999552 16.060225 8.921252 -0.147474 C 23.078004 17.355489 10.675401 -0.149942 C 20.287888 15.129612 6.722146 0.063066 C 19.629174 17.287746 5.832506 -0.139858 C 20.083852 9.333981 6.813923 0.601051 C 19.052292 12.975576 6.563721 -0.149975 C 21.372015 12.875331 6.938751 -0.146497 C 20.107967 10.832465 6.810646 -0.029413 C 20.218792 13.636591 6.736896 0.092635 C 19.510492 15.932391 5.849988 -0.138907 C 21.337873 11.508777 6.947765 -0.095988 C 18.970461 11.587989 6.607424 -0.096413 C 22.481883 22.026573 8.355565 0.068858 C 22.194661 23.460048 8.161630 -0.476016 C 28.742506 15.127977 12.493741 0.595991 C 29.560547 16.122231 11.703253 -0.016819 C 33.623652 20.688154 9.352005 0.054832 C 29.455142 17.472670 11.997159 -0.092001 C 31.723652 19.033429 8.133769 -0.289983 C 32.512157 19.909957 7.348472 0.219755 C 32.823224 19.797969 10.137302 0.022882 C 30.360703 15.712510 10.671304 -0.103630 C 33.033492 19.766011 11.543189 -0.206605 C 31.056268 17.981268 10.263223 0.099392 C 33.442106 20.722843 7.934645 -0.085452 C 31.879457 18.958861 9.488305 0.048959 C 30.193248 18.393448 11.254473 -0.147336 C 31.114796 16.639297 9.959210 -0.150029 C 33.904912 20.592554 12.185085 0.063190 C 34.563626 21.482192 10.026951 -0.139634 C 34.108948 20.500780 17.980716 0.601103 C 35.140508 20.750981 14.339121 -0.149786 C 32.820785 20.375950 14.439366 -0.146322 C 34.084833 20.504057 16.482232 -0.029564 C 33.974008 20.577805 13.678106 0.092809 C 34.682308 21.464712 11.382306 -0.138378 C 32.854927 20.366937 15.805920 -0.096033 C 35.222339 20.707278 15.726708 -0.096350 C 31.710917 18.959132 5.288125 0.068847 C 31.998139 19.153065 3.854649 -0.476046 C 15.194306 25.844071 1.163606 0.597695 C 16.012347 24.849816 1.954093 -0.021438 C 20.075452 20.283894 4.305342 0.055220 C 15.906942 23.499378 1.660187 -0.093259 C 18.175452 21.938618 5.523577 -0.286773 C 18.963957 21.062090 6.308875 0.221146 C 19.275024 21.174079 3.520044 0.023682 C 16.812503 25.259537 2.986042 -0.101347 C 19.485292 21.206036 2.114157 -0.207679 C 17.508068 22.990779 3.394124 0.098383 C 19.893906 20.249205 5.722701 -0.090746 C 18.331257 22.013187 4.169042 0.048942 C 16.645048 22.578600 2.402874 -0.147647 C 17.566596 24.332750 3.698136 -0.151698 C 20.356712 20.379493 1.472262 0.064397 C 21.015426 19.489855 3.630396 -0.139033 C 34.108948 20.471283 22.991323 0.601016 C 35.140508 20.221083 26.632918 -0.149904 C 32.820785 20.596114 26.532673 -0.143115 C 34.084833 20.468006 24.489807 -0.029875 C 20.425808 20.394242 -0.020759 0.090433 C 21.134108 19.507336 2.275041 -0.138899 C 32.854927 20.605127 25.166119 -0.097878 C 35.222339 20.264786 25.245332 -0.094689 C 18.162717 22.012916 8.369222 0.066480 C 18.449939 21.818983 9.802697 -0.475992 C 21.968406 1.470632 14.820952 0.596606 C 22.786447 2.464887 15.611440 -0.018996 C 26.849552 7.030813 17.962688 0.054059 C 22.681042 3.815325 15.317534 -0.093725 C 24.949552 5.376089 19.180924 -0.289235 C 25.738057 6.252618 19.966221 0.220178 C 26.049124 6.140626 17.177391 0.024292 C 23.586603 2.055167 16.643389 -0.103326 C 26.259392 6.108667 15.771504 -0.206454 C 24.282168 4.323926 17.051470 0.098194 C 26.668006 7.065503 19.380048 -0.088321 C 25.105357 5.301519 17.826388 0.048689 C 23.419148 4.736104 16.060220 -0.146179 C 24.340696 2.981955 17.355483 -0.147958 C 27.130812 6.935209 15.129608 0.063289 C 27.789526 7.824850 17.287742 -0.137645 C 27.334848 6.843429 9.333977 0.601437 C 28.366408 7.093633 12.975572 -0.152394 C 26.046685 6.718603 12.875327 -0.145140 C 27.310733 6.846707 10.832461 -0.032052 C 27.199908 6.920459 13.636587 0.092980 C 27.908208 7.807368 15.932387 -0.141152 C 26.080827 6.709588 11.508773 -0.094817 C 28.448239 7.049929 11.587985 -0.093143 C 24.936817 5.301795 22.026568 0.070016 C 25.224039 5.495730 23.460044 -0.480014 C 35.516606 12.186739 26.151087 0.596104 C 36.334647 11.192483 25.360600 -0.016821 C 40.397752 6.626558 23.009351 0.054398 C 36.229242 9.842045 25.654506 -0.093842 C 38.497752 8.281281 21.791116 -0.288458 C 39.286257 7.404752 21.005818 0.220442 C 39.597324 7.516744 23.794649 0.023412 C 37.134803 11.602203 24.328651 -0.102213 C 39.807592 7.548703 25.200536 -0.206929 C 37.830368 9.333445 23.920569 0.099024 C 40.216206 6.591868 21.591992 -0.088294 C 38.653557 8.355851 23.145651 0.048554 C 36.967348 8.921266 24.911819 -0.145198 C 37.888896 10.675415 23.616557 -0.150904 C 40.679012 6.722161 25.842431 0.063986 C 41.337726 5.832520 23.684297 -0.136641 C 27.334848 6.813926 4.323370 0.602178 C 28.366408 6.563721 0.681775 -0.150563 C 26.046685 6.938752 0.782020 -0.145125 C 27.310733 6.810647 2.824886 -0.030688 C 27.199908 6.736896 0.020759 0.092476 C 41.456408 5.850002 25.039652 -0.139106 C 26.080827 6.947767 2.148574 -0.096049 C 28.448239 6.607425 2.069361 -0.094882 C 38.485017 8.355576 18.945471 0.068327 C 38.772239 8.161641 17.511996 -0.477640 C 18.676194 1.163615 15.127970 0.596942 C 17.858153 1.954103 16.122224 -0.019788 C 13.795048 4.305354 20.688148 0.054371 C 17.963558 1.660197 17.472663 -0.093486 C 15.695048 5.523588 19.033424 -0.288595 C 14.906543 6.308886 19.909953 0.220508 C 14.595476 3.520056 19.797963 0.023391 C 17.057997 2.986051 15.712504 -0.101816 C 14.385208 2.114169 19.766004 -0.206469 C 16.362432 3.394134 17.981262 0.098116 C 13.976594 5.722713 20.722838 -0.088803 C 15.539243 4.169053 18.958855 0.049289 C 17.225452 2.402884 18.393441 -0.146023 C 16.303904 3.698146 16.639292 -0.151703 C 13.513788 1.472274 20.592547 0.063844 C 12.855074 3.630408 21.482187 -0.136942 C 26.857952 22.991335 20.500770 0.602194 C 25.826392 26.632930 20.750972 -0.150627 C 28.146115 26.532685 20.375942 -0.144958 C 26.882067 24.489819 20.504047 -0.030781 C 13.444692 -0.020747 20.577797 0.092552 C 12.736392 2.275053 21.464705 -0.139223 C 28.111973 25.166131 20.366928 -0.095970 C 25.744561 25.245344 20.707269 -0.094953 C 15.707783 8.369233 18.959128 0.068371 C 15.420561 9.802708 19.153063 -0.477685 C 32.224394 12.493756 25.844070 0.595825 C 31.406353 11.703268 24.849815 -0.016129 C 27.343248 9.352016 20.283891 0.054083 C 31.511758 11.997173 23.499377 -0.094057 C 29.243248 8.133782 21.938615 -0.289098 C 28.454743 7.348484 21.062087 0.220114 C 28.143676 10.137314 21.174077 0.024313 C 30.606197 10.671319 25.259535 -0.103703 C 27.933408 11.543202 21.206035 -0.206913 C 29.910632 10.263236 22.990777 0.099100 C 27.524794 7.934657 20.249201 -0.087797 C 29.087443 9.488318 22.013184 0.047954 C 30.773652 11.254486 22.578598 -0.145339 C 29.852104 9.959224 24.332748 -0.147148 C 27.061988 12.185096 20.379492 0.063436 C 26.403274 10.026962 19.489853 -0.137336 C 26.857952 17.980728 20.471270 0.601421 C 25.826392 14.339133 20.221067 -0.152329 C 28.146115 14.439378 20.596098 -0.145307 C 26.882067 16.482244 20.467992 -0.031957 C 26.992892 13.678118 20.394242 0.092901 C 26.284592 11.382317 19.507334 -0.141035 C 28.111973 15.805932 20.605112 -0.094896 C 25.744561 15.726720 20.264771 -0.093071 C 29.255983 5.288137 22.012911 0.069974 C 28.968761 3.854662 21.818977 -0.479969 C 32.224394 25.844077 12.493741 0.596606 C 31.406353 24.849822 11.703253 -0.018996 C 27.343248 20.283896 9.352005 0.054059 C 31.511758 23.499384 11.997159 -0.093725 C 29.243248 21.938620 8.133769 -0.289235 C 28.454743 21.062091 7.348472 0.220178 C 28.143676 21.174083 10.137302 0.024292 C 30.606197 25.259542 10.671304 -0.103326 C 27.933408 21.206042 11.543189 -0.206455 C 29.910632 22.990783 10.263223 0.098194 C 27.524794 20.249206 7.934645 -0.088321 C 29.087443 22.013190 9.488305 0.048690 C 30.773652 22.578605 11.254473 -0.146179 C 29.852104 24.332754 9.959210 -0.147958 C 27.061988 20.379500 12.185085 0.063289 C 26.403274 19.489859 10.026951 -0.137645 C 26.857952 20.471280 17.980716 0.601438 C 25.826392 20.221076 14.339121 -0.152394 C 28.146115 20.596106 14.439366 -0.145140 C 26.882067 20.468002 16.482232 -0.032052 C 26.992892 20.394250 13.678106 0.092980 C 26.284592 19.507341 11.382306 -0.141151 C 28.111973 20.605121 15.805920 -0.094816 C 25.744561 20.264780 15.726708 -0.093143 C 29.255983 22.012914 5.288125 0.070016 C 28.968761 21.818979 3.854649 -0.480014 C 18.676194 15.127970 1.163606 0.596104 C 17.858153 16.122226 1.954093 -0.016821 C 13.795048 20.688151 4.305342 0.054397 C 17.963558 17.472664 1.660187 -0.093839 C 15.695048 19.033428 5.523577 -0.288458 C 14.906543 19.909957 6.308875 0.220442 C 14.595476 19.797965 3.520044 0.023412 C 17.057997 15.712506 2.986042 -0.102216 C 14.385208 19.766006 2.114157 -0.206929 C 16.362432 17.981264 3.394124 0.099024 C 13.976594 20.722841 5.722701 -0.088295 C 15.539243 18.958858 4.169042 0.048554 C 17.225452 18.393443 2.402874 -0.145198 C 16.303904 16.639294 3.698136 -0.150904 C 13.513788 20.592548 1.472262 0.063986 C 12.855074 21.482189 3.630396 -0.136641 C 26.857952 20.500783 22.991323 0.602178 C 25.826392 20.750988 26.632918 -0.150563 C 28.146115 20.375957 26.532673 -0.145125 C 26.882067 20.504062 24.489807 -0.030688 C 13.444692 20.577797 -0.020759 0.092476 C 12.736392 21.464707 2.275041 -0.139106 C 28.111973 20.366942 25.166119 -0.096049 C 25.744561 20.707284 25.245332 -0.094882 C 15.707783 18.959133 8.369222 0.068327 C 15.420561 19.153068 9.802697 -0.477640 C 35.516606 26.151094 12.186723 0.596942 C 36.334647 25.360606 11.192469 -0.019788 C 40.397752 23.009355 6.626545 0.054372 C 36.229242 25.654512 9.842030 -0.093486 C 38.497752 21.791121 8.281269 -0.288595 C 39.286257 21.005823 7.404740 0.220508 C 39.597324 23.794653 7.516730 0.023391 C 37.134803 24.328658 11.602189 -0.101816 C 39.807592 25.200540 7.548689 -0.206469 C 37.830368 23.920575 9.333431 0.098116 C 40.216206 21.591996 6.591855 -0.088803 C 38.653557 23.145656 8.355838 0.049289 C 36.967348 24.911825 8.921252 -0.146023 C 37.888896 23.616563 10.675401 -0.151703 C 40.679012 25.842435 6.722146 0.063844 C 41.337726 23.684301 5.832506 -0.136942 C 27.334848 4.323374 6.813923 0.602194 C 28.366408 0.681779 6.563721 -0.150627 C 26.046685 0.782024 6.938751 -0.144958 C 27.310733 2.824890 6.810646 -0.030781 C 27.199908 0.020763 6.736896 0.092552 C 41.456408 25.039656 5.849988 -0.139224 C 26.080827 2.148578 6.947765 -0.095970 C 28.448239 2.069365 6.607424 -0.094953 C 38.485017 18.945476 8.355565 0.068371 C 38.772239 17.512001 8.161630 -0.477685 C 21.968406 14.820953 1.470623 0.595825 C 22.786447 15.611441 2.464878 -0.016129 C 26.849552 17.962693 7.030802 0.054083 C 22.681042 15.317536 3.815316 -0.094060 C 24.949552 19.180927 5.376078 -0.289098 C 25.738057 19.966225 6.252606 0.220113 C 26.049124 17.177395 6.140616 0.024313 C 23.586603 16.643390 2.055158 -0.103699 C 26.259392 15.771507 6.108658 -0.206913 C 24.282168 17.051473 4.323916 0.099100 C 26.668006 19.380052 7.065492 -0.087797 C 25.105357 17.826391 5.301509 0.047954 C 23.419148 16.060223 4.736095 -0.145339 C 24.340696 17.355485 2.981945 -0.147149 C 27.130812 15.129613 6.935201 0.063436 C 27.789526 17.287747 7.824840 -0.137336 C 27.334848 9.333981 6.843423 0.601421 C 28.366408 12.975576 7.093626 -0.152330 C 26.046685 12.875331 6.718595 -0.145307 C 27.310733 10.832465 6.846701 -0.031956 C 27.199908 13.636591 6.920451 0.092901 C 27.908208 15.932392 7.807359 -0.141035 C 26.080827 11.508777 6.709581 -0.094896 C 28.448239 11.587989 7.049922 -0.093071 C 24.936817 22.026572 5.301782 0.069974 C 25.224039 23.460047 5.495716 -0.479969 O 15.100553 1.641083 26.985824 -0.523579 O 33.003957 22.403250 20.485200 -0.534394 O 14.655359 0.098621 25.404030 -0.543875 O 35.245100 22.439579 20.483288 -0.539221 O 18.831727 7.649492 20.965393 -0.206679 O 28.648753 12.016288 13.986215 -0.521953 O 33.003957 18.568813 20.486839 -0.533872 O 28.203559 13.558750 15.568009 -0.541164 O 35.245100 18.532485 20.488751 -0.539798 O 32.379927 6.007878 20.006647 -0.206816 O 25.544047 13.328487 15.298413 -0.522063 O 21.188843 6.827859 8.745892 -0.533773 O 25.989241 11.746692 13.755953 -0.541072 O 18.947700 6.825947 8.782220 -0.539695 O 21.812873 7.308059 21.306826 -0.206807 O 39.092247 0.328884 25.673626 -0.523523 O 21.188843 6.829496 4.911455 -0.534495 O 39.537441 1.910679 27.216087 -0.543904 O 18.947700 6.831408 4.875126 -0.539324 O 35.361073 6.349312 19.665213 -0.206693 O 39.092247 25.673626 0.328869 -0.523580 O 21.188843 4.911459 6.829493 -0.534394 O 39.537441 27.216088 1.910663 -0.543874 O 18.947700 4.875130 6.831405 -0.539221 O 35.361073 19.665217 6.349300 -0.206679 O 25.544047 15.298421 13.328478 -0.521958 O 21.188843 8.745896 6.827854 -0.533872 O 25.989241 13.755959 11.746684 -0.541159 O 18.947700 8.782224 6.825942 -0.539797 O 21.812873 21.306831 7.308046 -0.206816 O 28.648753 13.986222 12.016280 -0.522057 O 33.003957 20.486850 18.568801 -0.533772 O 28.203559 15.568017 13.558740 -0.541076 O 35.245100 20.488762 18.532473 -0.539695 O 32.379927 20.006650 6.007867 -0.206807 O 15.100553 26.985825 1.641067 -0.523522 O 33.003957 20.485213 22.403238 -0.534494 O 14.655359 25.404030 0.098606 -0.543906 O 35.245100 20.483301 22.439567 -0.539324 O 18.831727 20.965397 7.649480 -0.206693 O 21.874653 0.328878 15.298413 -0.525418 O 26.229857 6.829498 8.745892 -0.534679 O 21.429459 1.910671 13.755953 -0.542331 O 28.471000 6.831410 8.782220 -0.539534 O 25.605827 6.349313 21.306826 -0.206087 O 35.422853 13.328493 25.673626 -0.522189 O 26.229857 6.827857 4.911455 -0.534188 O 34.977659 11.746700 27.216087 -0.541463 O 28.471000 6.825945 4.875126 -0.540354 O 39.154027 7.308058 19.665213 -0.206204 O 18.769947 1.641075 13.986215 -0.524695 O 27.962943 22.403250 20.486839 -0.534101 O 19.215141 0.098615 15.568009 -0.543770 O 25.721800 22.439579 20.488751 -0.540316 O 15.038773 7.649491 20.006647 -0.206369 O 32.318147 12.016296 26.985824 -0.522832 O 27.962943 18.568813 20.485200 -0.534766 O 32.763341 13.558755 25.404030 -0.540148 O 25.721800 18.532485 20.483288 -0.539572 O 28.586973 6.007879 20.965393 -0.205917 O 32.318147 26.985831 12.016280 -0.525418 O 27.962943 20.485211 18.568801 -0.534679 O 32.763341 25.404038 13.558740 -0.542331 O 25.721800 20.483299 18.532473 -0.539534 O 28.586973 20.965396 6.007867 -0.206087 O 18.769947 13.986216 1.641067 -0.522165 O 27.962943 20.486852 22.403238 -0.534189 O 19.215141 15.568009 0.098606 -0.541487 O 25.721800 20.488764 22.439567 -0.540355 O 15.038773 20.006651 7.649480 -0.206204 O 35.422853 25.673634 13.328478 -0.524695 O 26.229857 4.911459 6.827854 -0.534101 O 34.977659 27.216094 11.746684 -0.543770 O 28.471000 4.875130 6.825942 -0.540316 O 39.154027 19.665218 7.308046 -0.206369 O 21.874653 15.298413 0.328869 -0.522856 O 26.229857 8.745896 6.829493 -0.534766 O 21.429459 13.755954 1.910663 -0.540124 O 28.471000 8.782224 6.831405 -0.539571 O 25.605827 21.306830 6.349300 -0.205917 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 Cu 27.339184 0.925969 0.925968 0.869921 49.919839 0.75610842E+03 0.19125239E+05 11.857725 9.503514 1.140269 2.298840 0.996815 39.681288 95.630162 0.540590 0.447936 -1.115367 0.018550 0.104252 0.104255 0.148599 -0.022608 -0.022581 -0.088739 0.067382 -0.067353 -0.117485 0.051204 0.066281 16.653658 13.613700 -1.481901 -1.482836 18.173385 -10.070746 18.173888 0.709502 2 Cu 27.339048 12.731386 12.731105 0.865731 50.116062 0.75990317E+03 0.19248070E+05 11.896046 9.534493 1.118130 2.292036 0.996732 39.726022 95.849913 0.539025 0.448609 -1.114787 0.018419 -0.103159 -0.103248 0.147110 0.023021 0.023068 -0.088551 0.067178 -0.067358 -0.117502 0.051359 0.066143 16.707499 13.653196 1.487676 1.486768 18.235273 -10.105012 18.234029 0.641673 3 Cu 26.853752 14.583323 14.583588 0.865699 50.117468 0.75992852E+03 0.19248902E+05 11.896366 9.534738 1.117995 2.291995 0.996732 39.726108 95.851076 0.539010 0.448617 -1.114780 -0.018420 0.103163 0.103252 0.147115 0.023018 0.023064 -0.088531 0.067162 -0.067342 -0.117476 0.051348 0.066128 16.707986 13.653550 1.487722 1.486812 18.235826 -10.105350 18.234581 -0.727746 4 Cu 26.853616 26.388740 26.388725 0.869921 49.919788 0.75610747E+03 0.19125208E+05 11.857716 9.503507 1.140271 2.298841 0.996815 39.681272 95.630099 0.540590 0.447936 -1.115367 -0.018550 -0.104252 -0.104254 0.148599 -0.022608 -0.022582 -0.088739 0.067382 -0.067352 -0.117484 0.051203 0.066281 16.653643 13.613690 -1.481900 -1.482834 18.173369 -10.070736 18.173872 0.709507 5 Cu 32.803173 20.486032 20.486020 0.886801 54.693645 0.78113715E+03 0.19878425E+05 12.491607 9.612156 1.087252 2.288735 0.996439 39.375991 94.537470 0.542633 0.443553 -1.120441 -0.139116 0.000492 0.000513 0.139118 0.000115 0.000133 -0.000856 -0.191927 0.191927 -0.127951 0.063119 0.064832 18.067254 8.032452 -0.000002 0.000215 23.084651 -1.383290 23.084660 0.728087 6 Cu 35.438298 20.486032 20.486020 0.861005 51.365951 0.76195058E+03 0.19328892E+05 12.113536 9.563099 1.036807 2.263886 0.996015 39.997783 96.839189 0.536444 0.450092 -1.112947 0.148453 -0.000088 -0.000065 0.148453 0.000242 0.000222 0.001884 -0.169283 0.169282 -0.112856 0.054544 0.058312 16.738468 7.650655 0.000273 0.000054 21.282368 -1.874983 21.282381 0.715002 7 Cu 21.389627 6.828677 6.828673 0.886802 54.693571 0.78113606E+03 0.19878389E+05 12.491592 9.612146 1.087257 2.288737 0.996439 39.375985 94.537420 0.542633 0.443553 -1.120441 0.139116 -0.000492 -0.000513 0.139118 0.000115 0.000133 -0.000857 -0.191928 0.191927 -0.127952 0.063120 0.064832 18.067226 8.032442 -0.000001 0.000214 23.084613 -1.383288 23.084624 0.728087 8 Cu 18.754502 6.828677 6.828673 0.861006 51.365795 0.76194816E+03 0.19328813E+05 12.113506 9.563079 1.036820 2.263890 0.996015 39.997754 96.839042 0.536445 0.450092 -1.112947 -0.148453 0.000088 0.000065 0.148453 0.000242 0.000222 0.001884 -0.169285 0.169284 -0.112857 0.054544 0.058313 16.738417 7.650637 0.000271 0.000056 21.282300 -1.874976 21.282315 0.715002 9 Cu 34.113148 26.388733 14.583588 0.870930 49.790018 0.75367075E+03 0.19046872E+05 11.834782 9.485537 1.140874 2.299673 0.996811 39.640697 95.468796 0.541366 0.447686 -1.115600 0.018723 -0.103640 0.104348 0.148258 0.022298 -0.022445 0.088959 0.068419 -0.069651 -0.117980 0.051929 0.066051 16.620084 13.589115 1.476577 -1.481751 18.134762 10.048282 18.136376 0.709825 10 Cu 34.113284 14.583330 26.388725 0.865433 50.146639 0.76043637E+03 0.19265364E+05 11.902177 9.539013 1.046782 2.270045 0.996448 39.730039 95.875715 0.538786 0.448720 -1.114694 0.018692 0.103746 -0.103215 0.147533 -0.023023 0.022974 0.088290 0.068059 -0.067069 -0.117399 0.051713 0.065686 16.717878 13.661083 -1.490915 1.485948 18.247450 10.112547 18.245100 0.641559 11 Cu 20.079652 0.925976 12.731105 0.870930 49.789969 0.75366996E+03 0.19046847E+05 11.834773 9.485531 1.140877 2.299674 0.996811 39.640686 95.468746 0.541366 0.447686 -1.115600 -0.018723 0.103641 -0.104348 0.148258 0.022298 -0.022445 0.088959 0.068418 -0.069651 -0.117980 0.051929 0.066051 16.620069 13.589104 1.476575 -1.481748 18.134745 10.048271 18.136359 0.709826 12 Cu 20.079516 12.731379 0.925968 0.865426 50.148525 0.76046943E+03 0.19266425E+05 11.902498 9.539242 1.046695 2.270012 0.996446 39.730636 95.877941 0.538778 0.448722 -1.114692 -0.018697 -0.103768 0.103237 0.147565 -0.023027 0.022977 0.088301 0.068068 -0.067077 -0.117414 0.051720 0.065694 16.718391 13.661455 -1.490961 1.485996 18.248034 10.112921 18.245685 -0.727806 13 Cu 26.029073 6.828677 6.828673 0.887013 54.671396 0.78072801E+03 0.19865365E+05 12.488660 9.609839 1.082179 2.287523 0.996433 39.365468 94.505194 0.542682 0.443572 -1.120432 -0.139192 0.000550 0.000544 0.139194 0.000113 0.000086 -0.001135 -0.192419 0.192419 -0.128280 0.063005 0.065275 18.063361 8.030482 0.000322 0.000190 23.079795 1.383024 23.079807 0.728083 14 Cu 28.664198 6.828677 6.828673 0.861427 51.330729 0.76125731E+03 0.19306537E+05 12.107312 9.557944 1.037566 2.264144 0.996027 39.985995 96.792564 0.536666 0.450017 -1.113015 0.148506 0.000107 0.000091 0.148506 -0.000005 -0.000004 -0.002390 -0.169990 0.169989 -0.113327 0.054274 0.059053 16.730275 7.646572 -0.000354 -0.000164 21.272123 1.873725 21.272131 0.715001 15 Cu 28.163727 20.486032 20.486020 0.887013 54.671413 0.78072816E+03 0.19865371E+05 12.488665 9.609841 1.082175 2.287522 0.996433 39.365462 94.505191 0.542682 0.443572 -1.120432 0.139191 -0.000550 -0.000544 0.139194 0.000113 0.000086 -0.001135 -0.192419 0.192419 -0.128280 0.063005 0.065275 18.063370 8.030484 0.000322 0.000190 23.079807 1.383025 23.079818 0.728083 16 Cu 25.528602 20.486032 20.486020 0.861426 51.330752 0.76125763E+03 0.19306547E+05 12.107317 9.557947 1.037563 2.264143 0.996027 39.985995 96.792577 0.536666 0.450017 -1.113015 -0.148506 -0.000107 -0.000091 0.148506 -0.000005 -0.000004 -0.002390 -0.169990 0.169990 -0.113327 0.054274 0.059053 16.730284 7.646575 -0.000354 -0.000163 21.272135 1.873726 21.272141 0.715001 17 H 15.341982 0.966954 23.206563 0.118780 1.093063 0.82565678E+01 0.82019959E+02 1.772458 1.695867 -1.207640 2.311050 0.994874 3.627290 10.346615 0.472032 1.306216 -0.702545 -0.024256 -0.029891 -0.011347 0.040132 0.011518 0.000767 0.004753 -0.002566 0.004007 -0.012761 0.000322 0.012439 1.795919 1.751656 0.422085 0.036740 1.935902 0.076203 1.700199 0.000203 18 H 17.531371 5.943690 22.479992 0.127058 1.118075 0.84674765E+01 0.85271639E+02 1.850443 1.753310 -1.346414 2.244711 0.993646 3.812021 11.214068 0.446746 1.361428 -0.690220 -0.026820 0.010889 0.016934 0.033536 -0.003778 -0.011801 -0.001602 -0.000111 -0.006732 -0.013444 0.001789 0.011654 1.964577 2.172253 -0.207669 -0.569182 1.892882 0.113491 1.828596 -0.000003 19 H 16.851251 3.214955 26.170207 0.117809 1.196106 0.87169516E+01 0.85808603E+02 1.742406 1.636802 -0.908019 2.447253 0.998872 3.265565 8.610707 0.539859 1.152548 -0.741495 0.001234 0.010079 0.038747 0.040056 0.010692 0.003522 0.007019 -0.006995 0.035072 -0.017156 0.000213 0.016943 1.802611 1.480818 0.036419 -0.139473 1.511807 0.060118 2.415208 0.000266 20 H 18.999996 1.603385 21.827171 0.111123 1.286308 0.99473869E+01 0.10298217E+03 1.934425 1.827700 -1.345986 2.229430 0.994664 3.789427 10.845804 0.469809 1.259308 -0.712754 -0.012054 -0.021317 0.025469 0.035332 0.000652 -0.003540 -0.008929 -0.016289 0.011819 -0.011121 -0.003266 0.014387 2.031574 1.973450 0.167801 -0.538505 2.089853 -0.248224 2.031418 0.000002 21 H 16.553191 2.223429 21.660552 0.105918 1.013701 0.74239175E+01 0.72745290E+02 1.762362 1.664091 -1.283954 2.262305 0.993278 3.899315 11.521280 0.446871 1.398790 -0.681784 -0.004863 -0.006046 -0.033054 0.033953 0.009563 -0.003615 0.002827 -0.006937 0.028637 -0.015775 0.005389 0.010386 1.834492 1.598057 0.055530 -0.071497 1.470831 0.092620 2.434588 0.000118 22 H 18.122072 4.397680 24.626927 0.112313 1.211439 0.91074355E+01 0.90533863E+02 1.747963 1.667569 -0.975581 2.408667 0.998536 3.305613 8.725571 0.538131 1.144993 -0.743587 0.020931 0.025807 0.013504 0.035867 0.013540 0.000737 0.006631 -0.001247 0.026489 -0.018589 0.004047 0.014542 1.765306 1.802495 0.431787 0.008716 1.875838 0.072515 1.617584 0.000114 23 H 21.579573 4.129993 18.929082 0.110112 1.013196 0.72720457E+01 0.71022662E+02 1.777177 1.657628 -1.317270 2.251875 0.992885 3.897200 11.566559 0.442606 1.416931 -0.678320 0.022041 0.016674 -0.022586 0.035692 0.002792 -0.012688 0.000443 -0.000954 -0.005373 -0.013749 0.001412 0.012337 1.937917 2.030035 0.437247 -0.503601 1.979297 -0.368929 1.804419 -0.000001 24 H 35.924407 27.128965 20.065373 0.109687 1.207296 0.87631983E+01 0.86303739E+02 1.744257 1.633397 -0.929574 2.429801 0.998635 3.300120 8.679403 0.544737 1.141700 -0.743890 0.029797 0.017051 -0.006542 0.034948 0.000430 -0.005598 -0.001057 0.008394 -0.055066 -0.019353 0.004980 0.014372 1.818332 2.023671 0.435192 -0.151473 2.038236 -0.174473 1.393089 0.000115 25 H 32.000848 26.973271 20.729121 0.108601 1.048552 0.74537261E+01 0.71800913E+02 1.695256 1.587537 -0.835616 2.474076 0.999183 3.449564 9.526345 0.501469 1.267961 -0.711473 -0.032262 0.014465 0.005934 0.035851 -0.000900 -0.003769 -0.000830 0.006659 -0.046918 -0.016203 0.004450 0.011753 1.750372 1.994122 -0.387024 -0.137068 1.919844 0.070359 1.337151 0.000116 26 H 21.747571 1.860142 18.926351 0.105603 1.073212 0.78696918E+01 0.77348458E+02 1.753423 1.655053 -1.197314 2.301828 0.995451 3.712926 10.581036 0.477435 1.305261 -0.701729 0.019745 -0.015518 -0.024839 0.035322 -0.002791 -0.009781 0.002390 -0.011667 -0.008662 -0.013457 0.003038 0.010420 1.809022 1.853414 -0.160689 -0.485204 1.766622 0.144892 1.807030 -0.000010 27 H 32.057751 24.676106 20.704537 0.121934 1.082298 0.77449506E+01 0.74501658E+02 1.664283 1.568639 -0.884753 2.463283 0.999073 3.260656 8.681196 0.534441 1.191403 -0.730619 -0.035298 -0.020659 0.003658 0.041063 0.003146 -0.003667 -0.001136 0.013585 -0.043496 -0.014998 -0.000230 0.015227 1.712369 1.893103 0.350331 -0.107176 1.925559 -0.080015 1.318445 0.000212 28 H 36.054470 24.820873 20.155512 0.117548 1.210706 0.88451123E+01 0.87175655E+02 1.742762 1.638326 -0.973823 2.419259 0.998267 3.240560 8.482115 0.546117 1.137964 -0.745676 0.037389 -0.017999 -0.005012 0.041797 -0.001665 -0.005334 -0.000103 0.015407 -0.048588 -0.017070 0.000241 0.016829 1.772759 2.021775 -0.347116 -0.084075 1.916786 0.004510 1.379715 0.000235 29 H 18.490583 8.074237 22.889713 0.068932 1.360545 0.11371658E+02 0.11921746E+03 1.878422 1.850910 -0.839680 2.449093 0.998513 3.586663 9.649339 0.517144 1.129739 -0.747814 0.015493 -0.003230 0.030869 0.034690 -0.005975 -0.000725 0.002459 -0.003796 0.011079 -0.008182 0.001662 0.006520 1.843579 1.719218 -0.042127 0.207465 1.686917 -0.129061 2.124601 -0.000000 30 H 17.198085 8.210810 21.971939 0.077083 1.267207 0.98128181E+01 0.10051533E+03 1.884550 1.789122 -0.835495 2.462884 0.998189 3.625089 10.079918 0.488821 1.223256 -0.723151 -0.038252 0.001459 -0.006323 0.038798 0.001157 -0.002848 0.007710 0.000538 -0.011459 -0.010005 0.002807 0.007199 1.961145 2.809471 0.163554 0.000176 1.613355 0.020130 1.460608 0.000000 31 H 19.390184 9.917978 21.614117 0.156291 1.087174 0.79246874E+01 0.76310536E+02 1.648982 1.566671 -0.914663 2.453076 0.999305 3.162441 8.296114 0.547645 1.161462 -0.738738 0.013694 -0.007418 -0.005060 0.016375 -0.002707 -0.000810 -0.003708 0.004534 -0.012976 -0.006872 0.001094 0.005778 1.708719 2.393880 0.152456 -0.217278 1.424450 0.002282 1.307827 -0.000001 32 H 18.233168 10.289458 22.630223 0.157799 0.983990 0.69004271E+01 0.63242661E+02 1.455939 1.394135 -0.817974 2.497106 0.999813 2.894935 7.058550 0.632713 1.056246 -0.767789 -0.004272 0.001527 0.013473 0.014216 0.002119 -0.003133 -0.000522 -0.005995 0.009181 -0.006099 0.001409 0.004689 1.478685 1.269634 -0.103860 -0.170022 1.508719 0.404098 1.657704 -0.000001 33 H 17.913430 10.141958 21.084212 0.146329 1.036048 0.75948188E+01 0.72163916E+02 1.572742 1.514012 -0.875065 2.464227 0.999278 3.160154 8.161966 0.569549 1.131808 -0.745559 -0.007934 -0.004305 -0.011987 0.015006 0.003792 0.003988 0.000174 -0.002832 0.004267 -0.006199 0.000860 0.005339 1.560778 1.658684 -0.153695 0.361952 1.429706 -0.182996 1.593943 -0.000001 34 H 28.890182 12.690417 17.765476 0.118183 1.094432 0.82659941E+01 0.82104968E+02 1.770921 1.694442 -1.208713 2.309991 0.994939 3.626267 10.329973 0.473415 1.302536 -0.703316 -0.024302 0.030492 0.011581 0.040675 -0.011400 -0.000870 0.004741 -0.002468 0.004025 -0.012616 0.000252 0.012364 1.794312 1.750179 -0.421661 -0.036759 1.934263 0.076175 1.698496 -0.000229 35 H 31.079571 7.713680 18.492047 0.128800 1.111860 0.84129995E+01 0.84625154E+02 1.847486 1.750770 -1.350493 2.243935 0.993701 3.803629 11.199648 0.445676 1.366276 -0.689291 -0.026241 -0.010493 -0.016801 0.032878 0.003732 0.011767 -0.001634 0.000039 -0.006571 -0.013367 0.001718 0.011648 1.961231 2.168227 0.206955 0.567532 1.889913 0.113083 1.825553 0.000000 36 H 30.399451 10.442416 14.801832 0.119019 1.188284 0.86457120E+01 0.84914830E+02 1.733036 1.628707 -0.896318 2.452747 0.998963 3.255057 8.567328 0.542010 1.150579 -0.741970 0.001611 -0.010136 -0.038627 0.039967 -0.010639 -0.003252 0.007007 -0.006635 0.034953 -0.017060 0.000320 0.016740 1.792507 1.473723 -0.036020 0.138010 1.504518 0.059618 2.399279 0.000240 37 H 32.548196 12.053985 19.144868 0.110984 1.287684 0.99596876E+01 0.10313616E+03 1.935297 1.828426 -1.345679 2.229268 0.994685 3.791050 10.850056 0.469895 1.258752 -0.712869 -0.012039 0.021322 -0.025393 0.035276 -0.000783 0.003471 -0.008937 -0.016360 0.011990 -0.011110 -0.003324 0.014434 2.032521 1.974341 -0.168122 0.538997 2.090869 -0.248637 2.032355 0.000003 38 H 30.101391 11.433942 19.311488 0.105939 1.015645 0.74431576E+01 0.72991795E+02 1.765429 1.666864 -1.301003 2.255249 0.993080 3.906107 11.551499 0.446185 1.399827 -0.681557 -0.004874 0.006016 0.033075 0.033969 -0.009525 0.003796 0.002824 -0.007189 0.028854 -0.015867 0.005366 0.010501 1.837716 1.600702 -0.055689 0.071654 1.473111 0.092905 2.439333 0.000093 39 H 31.670272 9.259691 16.345112 0.112483 1.206988 0.90636682E+01 0.89983837E+02 1.743645 1.663586 -0.972465 2.411054 0.998551 3.296669 8.694355 0.538800 1.145033 -0.743634 0.021052 -0.026201 -0.013544 0.036237 -0.013360 -0.000727 0.006505 -0.001171 0.026045 -0.018321 0.004015 0.014306 1.760885 1.797943 -0.430219 -0.008924 1.871155 0.072448 1.613557 -0.000101 40 H 35.127773 9.527378 22.042957 0.110423 1.013432 0.72724463E+01 0.71008002E+02 1.775374 1.656055 -1.306408 2.256131 0.993088 3.893304 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1.071454 0.78514806E+01 0.77097517E+02 1.748913 1.651119 -1.190891 2.304457 0.995452 3.706031 10.544276 0.479050 1.302077 -0.702406 0.019475 0.015451 0.024619 0.034988 0.002809 0.009958 0.002335 -0.011731 -0.008520 -0.013644 0.003171 0.010473 1.804193 1.848415 0.159960 0.483069 1.762025 0.144231 1.802139 0.000002 44 H 32.057751 16.295958 20.267502 0.121056 1.086548 0.77832582E+01 0.74981913E+02 1.670713 1.574167 -0.894399 2.459203 0.998994 3.267150 8.712318 0.532524 1.193910 -0.730047 -0.035467 0.020691 -0.003784 0.041235 -0.003374 0.003476 -0.001244 0.013655 -0.044127 -0.015167 -0.000249 0.015417 1.719263 1.901134 -0.352893 0.107922 1.934008 -0.080604 1.322647 0.000211 45 H 36.054470 16.151190 20.816528 0.118623 1.201084 0.87582938E+01 0.86089764E+02 1.731398 1.628543 -0.913192 2.447061 0.998689 3.231258 8.440835 0.548737 1.135560 -0.746223 0.037124 0.018062 0.004922 0.041578 0.001676 0.005442 0.000006 0.015279 -0.048235 -0.016989 0.000237 0.016753 1.760941 2.007017 0.343005 0.083128 1.903471 0.004410 1.372335 0.000234 46 H 32.038783 5.583134 18.082327 0.068553 1.363338 0.11400651E+02 0.11959915E+03 1.881318 1.853559 -0.843800 2.447323 0.998416 3.588903 9.658932 0.516646 1.130093 -0.747745 0.015415 0.003168 -0.030935 0.034708 0.006093 0.000722 0.002424 -0.003518 0.010389 -0.008142 0.001645 0.006497 1.846397 1.721633 0.042339 -0.208232 1.689152 -0.129408 2.128407 -0.000001 47 H 30.746285 5.446561 19.000100 0.075607 1.275153 0.98846512E+01 0.10139297E+03 1.888522 1.792493 -0.837828 2.460642 0.998115 3.635700 10.102516 0.489863 1.218947 -0.724096 -0.038896 -0.001238 0.006207 0.039408 -0.000913 0.002727 0.007852 0.000480 -0.011326 -0.009997 0.002608 0.007389 1.965523 2.817260 -0.164167 -0.000181 1.616238 0.020258 1.463071 -0.000001 48 H 32.938384 3.739393 19.357923 0.156350 1.088378 0.79361387E+01 0.76457694E+02 1.651234 1.568650 -0.918725 2.451377 0.999281 3.163252 8.303541 0.546789 1.162717 -0.738448 0.013618 0.007643 0.005238 0.016471 0.002603 0.000857 -0.003659 0.004345 -0.013197 -0.006840 0.001176 0.005664 1.711164 2.397911 -0.152913 0.217850 1.426244 0.002271 1.309337 -0.000001 49 H 31.781368 3.367912 18.341816 0.157796 0.984027 0.69004524E+01 0.63238794E+02 1.455474 1.393719 -0.811702 2.499356 0.999811 2.895293 7.057679 0.633135 1.055611 -0.767955 -0.004224 -0.001631 -0.013316 0.014065 -0.002148 0.003324 -0.000457 -0.006085 0.008961 -0.006240 0.001503 0.004737 1.478190 1.269239 0.103839 0.170045 1.508116 0.403908 1.657213 -0.000001 50 H 31.461630 3.515413 19.887828 0.146720 1.035807 0.75925942E+01 0.72137456E+02 1.572489 1.513769 -0.878644 2.462708 0.999259 3.159340 8.159548 0.569607 1.131775 -0.745564 -0.008156 0.004306 0.011686 0.014887 -0.003813 -0.003976 0.000208 -0.002814 0.004943 -0.006248 0.000859 0.005389 1.560522 1.658442 0.153679 -0.361955 1.429408 -0.182977 1.593716 -0.000001 51 H 25.302618 9.549225 14.624287 0.118182 1.094540 0.82670801E+01 0.82119068E+02 1.771090 1.694595 -1.208877 2.309917 0.994936 3.626503 10.331107 0.473373 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0.10322762E+03 1.936088 1.829134 -1.345881 2.229094 0.994683 3.792420 10.855575 0.469769 1.258851 -0.712843 0.012059 0.025354 -0.021316 0.035251 0.003481 -0.000785 -0.008929 -0.014189 0.018510 -0.011115 -0.003313 0.014429 2.033388 1.975147 0.539328 -0.168192 2.033225 -0.248770 2.091791 0.000004 55 H 24.091409 8.003214 15.880763 0.106069 1.015161 0.74387065E+01 0.72938446E+02 1.765025 1.666492 -1.301006 2.255361 0.993086 3.905045 11.548216 0.446177 1.400039 -0.681520 0.004854 -0.033104 -0.006022 0.033995 0.003793 -0.009519 0.002824 -0.018018 -0.003615 -0.015860 0.005367 0.010494 1.837297 1.600334 0.071643 -0.055664 2.438770 0.092874 1.472787 -0.000104 56 H 22.522528 10.969591 18.055012 0.112450 1.207464 0.90682946E+01 0.90042174E+02 1.744160 1.664055 -0.973035 2.410745 0.998546 3.297440 8.697278 0.538698 1.145093 -0.743617 -0.021061 0.013531 0.026185 0.036226 -0.000727 -0.013358 0.006504 -0.013607 -0.011289 -0.018320 0.004016 0.014304 1.761414 1.798481 -0.008903 -0.430420 1.614035 0.072459 1.871726 0.000089 57 H 19.065027 5.271746 17.787328 0.110556 1.012723 0.72661217E+01 0.70930629E+02 1.774587 1.655375 -1.305849 2.256526 0.993099 3.891417 11.536135 0.443663 1.414234 -0.678832 -0.021932 -0.022795 0.016634 0.035739 0.012653 -0.002828 0.000351 0.002277 0.003718 -0.013642 0.001246 0.012396 1.934877 2.026816 0.502365 -0.436176 1.801680 -0.368024 1.976134 -0.000001 58 H 18.268393 6.408035 13.471607 0.109314 1.208274 0.87701914E+01 0.86383878E+02 1.744772 1.633691 -0.926619 2.430835 0.998670 3.300788 8.679770 0.544904 1.141201 -0.744023 -0.030062 -0.006693 0.017012 0.035185 0.005593 -0.000411 -0.000955 0.031595 0.014896 -0.019272 0.004962 0.014310 1.818980 2.024705 0.151677 -0.435717 1.393405 -0.174591 2.038829 0.000114 59 H 22.191952 7.071782 13.315913 0.109619 1.045194 0.74283618E+01 0.71526549E+02 1.694987 1.587496 -0.844492 2.471867 0.999188 3.446335 9.528879 0.499998 1.272223 -0.710569 0.031846 0.005888 0.014315 0.035408 0.003702 0.000876 -0.000875 0.026518 0.012661 -0.015924 0.004193 0.011731 1.750018 1.993234 0.136936 0.386470 1.337114 0.070270 1.919708 0.000115 60 H 18.897029 5.269013 15.517477 0.106064 1.070360 0.78415608E+01 0.76978222E+02 1.748021 1.650319 -1.190295 2.304958 0.995462 3.703954 10.537962 0.479045 1.302460 -0.702332 -0.019448 -0.024714 -0.015462 0.035044 0.009917 0.002817 0.002343 -0.001601 0.021860 -0.013604 0.003137 0.010467 1.803250 1.847489 0.482746 0.159869 1.801223 0.144147 1.761037 -0.000010 61 H 22.135049 7.047197 11.018747 0.120996 1.086834 0.77858085E+01 0.75012234E+02 1.670954 1.574383 -0.894531 2.459084 0.998993 3.267644 8.713821 0.532512 1.193846 -0.730060 0.035464 0.003730 -0.020679 0.041222 0.003467 -0.003368 -0.001245 0.028897 0.001612 -0.015174 -0.000237 0.015410 1.719515 1.901418 0.107948 -0.352970 1.322811 -0.080626 1.934315 0.000212 62 H 18.138330 6.498172 11.163515 0.118605 1.200946 0.87570219E+01 0.86073786E+02 1.731238 1.628405 -0.912942 2.447168 0.998691 3.231081 8.440090 0.548772 1.135533 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1.086548 0.77832649E+01 0.74981979E+02 1.670713 1.574167 -0.894400 2.459202 0.998994 3.267151 8.712315 0.532525 1.193908 -0.730047 0.035467 -0.020691 0.003783 0.041235 -0.003374 0.003476 -0.001244 0.013655 -0.044127 -0.015167 -0.000249 0.015417 1.719262 1.901133 -0.352892 0.107922 1.934008 -0.080604 1.322646 0.000211 113 H 18.138330 11.163519 6.498165 0.118623 1.201081 0.87582652E+01 0.86089412E+02 1.731395 1.628540 -0.913187 2.447063 0.998689 3.231254 8.440821 0.548737 1.135560 -0.746223 -0.037124 -0.018062 -0.004923 0.041577 0.001676 0.005442 0.000006 0.015279 -0.048235 -0.016989 0.000237 0.016753 1.760938 2.007013 0.343004 0.083128 1.903467 0.004410 1.372333 0.000234 114 H 22.154017 21.731575 9.232366 0.068553 1.363337 0.11400643E+02 0.11959903E+03 1.881318 1.853558 -0.843800 2.447323 0.998416 3.588902 9.658928 0.516647 1.130093 -0.747745 -0.015415 -0.003168 0.030935 0.034708 0.006093 0.000722 0.002424 -0.003518 0.010389 -0.008143 0.001645 0.006497 1.846397 1.721632 0.042339 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0.106069 1.015161 0.74387059E+01 0.72938442E+02 1.765025 1.666492 -1.301006 2.255361 0.993086 3.905045 11.548218 0.446176 1.400040 -0.681520 -0.004854 0.033104 0.006022 0.033995 0.003793 -0.009519 0.002824 -0.018018 -0.003615 -0.015860 0.005366 0.010494 1.837297 1.600334 0.071643 -0.055664 2.438771 0.092874 1.472787 0.000100 124 H 31.670272 16.345118 9.259681 0.112450 1.207461 0.90682699E+01 0.90041857E+02 1.744157 1.664051 -0.973034 2.410746 0.998546 3.297437 8.697263 0.538699 1.145092 -0.743617 0.021061 -0.013531 -0.026185 0.036226 -0.000727 -0.013358 0.006504 -0.013607 -0.011289 -0.018320 0.004016 0.014304 1.761410 1.798478 -0.008903 -0.430418 1.614032 0.072459 1.871722 -0.000102 125 H 35.127773 22.042963 9.527365 0.110556 1.012723 0.72661139E+01 0.70930536E+02 1.774586 1.655374 -1.305848 2.256526 0.993099 3.891415 11.536129 0.443663 1.414234 -0.678832 0.021932 0.022795 -0.016634 0.035739 0.012653 -0.002828 0.000351 0.002277 0.003718 -0.013642 0.001246 0.012396 1.934876 2.026815 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0.984795 0.69073428E+01 0.63318567E+02 1.456295 1.394463 -0.812378 2.498924 0.999809 2.896550 7.061972 0.632924 1.055685 -0.767931 -0.004211 -0.013304 -0.001610 0.014047 0.003318 -0.002153 -0.000464 -0.007522 0.004637 -0.006236 0.001495 0.004741 1.479044 1.269898 0.170193 0.103933 1.658206 0.404279 1.509027 -0.000001 135 H 31.461630 19.887830 3.515401 0.146709 1.035952 0.75940753E+01 0.72156342E+02 1.572756 1.514011 -0.878768 2.462646 0.999258 3.159696 8.161218 0.569498 1.131917 -0.745528 -0.008147 0.011708 0.004324 0.014904 -0.003977 -0.003819 0.000207 -0.003897 0.001721 -0.006256 0.000861 0.005395 1.560788 1.658722 -0.362053 0.153706 1.594009 -0.183017 1.429632 -0.000001 136 H 15.341982 23.206564 0.966940 0.118780 1.092974 0.82556690E+01 0.82008185E+02 1.772308 1.695732 -1.207507 2.311110 0.994876 3.627086 10.345601 0.472072 1.306151 -0.702559 -0.024264 -0.011339 -0.029891 0.040134 0.000772 0.011520 0.004759 -0.003283 0.001862 -0.012760 0.000313 0.012447 1.795767 1.751509 0.036735 0.422029 1.700048 0.076197 1.935743 0.000203 137 H 17.531371 22.479996 5.943677 0.127155 1.117618 0.84630815E+01 0.85216811E+02 1.850021 1.752924 -1.346300 2.244869 0.993646 3.810969 11.210490 0.446766 1.361536 -0.690202 -0.026824 0.016955 0.010898 0.033552 -0.011788 -0.003779 -0.001596 0.003308 0.003492 -0.013424 0.001775 0.011649 1.964114 2.171752 -0.569002 -0.207624 1.828185 0.113472 1.892406 -0.000003 138 H 16.851251 26.170209 3.214939 0.117860 1.195815 0.87142588E+01 0.85775543E+02 1.742150 1.636573 -0.907731 2.447442 0.998875 3.265023 8.608973 0.539885 1.152582 -0.741489 0.001226 0.038755 0.010090 0.040066 0.003527 0.010684 0.007020 -0.021036 -0.007049 -0.017149 0.000204 0.016945 1.802334 1.480607 -0.139417 0.036398 2.414796 0.060123 1.511597 0.000266 139 H 18.999996 21.827172 1.603372 0.111211 1.285626 0.99405864E+01 0.10289262E+03 1.933653 1.827008 -1.345829 2.229584 0.994666 3.788083 10.840415 0.469930 1.259216 -0.712777 -0.012033 0.025506 -0.021323 0.035356 -0.003529 0.000651 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39.387327 22.042960 4.129982 0.109075 1.017797 0.73057675E+01 0.71361382E+02 1.774734 1.655408 -1.284837 2.263923 0.993363 3.892415 11.514491 0.445793 1.406616 -0.680258 -0.022287 0.023044 0.016938 0.036258 -0.012857 -0.002968 -0.000374 0.002343 0.003296 -0.013811 0.001120 0.012692 1.935092 2.027098 -0.502630 -0.436530 1.801898 0.368327 1.976279 -0.000001 245 H 25.042493 20.906682 27.128953 0.109333 1.208224 0.87723298E+01 0.86434692E+02 1.747265 1.635936 -0.942225 2.425231 0.998539 3.300092 8.687470 0.543356 1.144060 -0.743347 -0.030013 0.006465 0.017018 0.035103 -0.005665 -0.000408 0.000926 0.031567 0.015431 -0.019370 0.005138 0.014232 1.821670 2.027667 -0.151950 -0.436523 1.395165 0.174976 2.042178 0.000114 246 H 28.966052 20.242935 26.973259 0.109232 1.047038 0.74441071E+01 0.71718442E+02 1.697166 1.589295 -0.848556 2.469757 0.999138 3.449945 9.542554 0.499643 1.272412 -0.710520 0.031853 -0.006083 0.014511 0.035528 -0.003641 0.000696 0.000949 0.026946 0.013035 -0.016180 0.004354 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20.107967 2.824890 6.846701 -0.030021 41.287889 0.43539551E+03 0.10141788E+05 10.385148 6.883510 0.031813 2.015027 0.999283 27.077879 75.085628 0.644330 0.408101 -1.079933 0.005339 -0.041532 -0.001932 0.041919 -0.004602 0.004053 -0.002172 0.004511 -0.042042 -0.014801 0.001887 0.012914 15.562218 9.597321 0.005880 -0.758473 31.195326 -1.497757 5.894007 0.013257 413 C 20.218792 0.020763 6.920451 0.090602 38.645245 0.40105604E+03 0.92032149E+04 10.097219 6.732717 -0.102248 1.981593 0.999280 26.237387 73.541331 0.629745 0.423845 -1.063808 0.007030 0.001412 -0.001240 0.007277 -0.000010 -0.013793 -0.002704 -0.038654 0.040825 -0.030465 0.011504 0.018961 14.417853 9.935215 -1.155527 -0.976293 27.733494 -0.905900 5.584849 -0.000823 414 C 33.058692 25.039657 7.807359 -0.138374 36.406434 0.45519744E+03 0.10866878E+05 9.652416 7.177085 0.041428 1.979651 0.999550 30.175250 88.516487 0.604607 0.424353 -1.055143 0.027802 -0.007491 -0.005388 0.029293 -0.012671 -0.010082 0.015294 0.011086 0.039848 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9.882857 6.860468 -0.182217 1.961607 0.999162 26.347947 74.829667 0.613430 0.431822 -1.055831 -0.004560 0.003322 -0.006550 0.008645 0.017691 0.018139 -0.013559 -0.011595 -0.049959 -0.036340 0.009393 0.026947 14.623582 14.355833 -6.196691 8.551258 11.042675 -4.492022 18.472238 0.000217 429 C 20.750694 19.380052 6.591855 -0.085603 49.820122 0.52338998E+03 0.12903785E+05 11.913964 7.731699 -0.462536 1.832564 0.998158 29.984944 88.603170 0.580041 0.428308 -1.055538 -0.052192 0.008278 -0.052752 0.074668 -0.023480 0.004458 -0.030736 0.001826 0.033950 -0.038452 -0.003222 0.041674 18.209379 18.932201 -4.988510 10.324717 20.300591 -4.037310 15.395345 0.000122 430 C 22.313343 17.826393 8.355838 0.048925 42.865244 0.43790086E+03 0.10297377E+05 10.795206 7.060037 -0.171839 1.947717 0.999125 27.400948 78.377535 0.610219 0.426844 -1.059312 0.012996 0.005810 0.005842 0.015388 -0.018153 -0.010361 -0.005770 0.009224 0.026002 -0.026503 0.008669 0.017834 16.287353 16.511904 -2.865404 10.625005 16.034989 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13.636591 6.736896 0.092635 38.605598 0.40056428E+03 0.91894384E+04 10.092200 6.729754 -0.103696 1.981165 0.999317 26.220830 73.493506 0.629697 0.423992 -1.063678 0.006549 -0.001653 0.001120 0.006846 -0.000099 0.014621 -0.002756 -0.038878 0.039116 -0.030845 0.011790 0.019055 14.409983 9.930826 1.152298 0.975969 27.716814 -0.905872 5.582309 -0.000819 440 C 19.510492 15.932391 5.849988 -0.138907 36.422177 0.45541726E+03 0.10873359E+05 9.656003 7.179971 0.037481 1.978246 0.999540 30.181520 88.537804 0.604345 0.424490 -1.055066 0.027385 0.007872 0.005949 0.029109 0.012391 0.010126 0.015387 0.011999 0.038143 -0.022406 -0.005336 0.027742 12.212933 9.131057 -2.108648 3.795975 18.839614 -2.352575 8.668127 -0.000070 441 C 21.337873 11.508777 6.947765 -0.095988 35.237590 0.41653870E+03 0.96866733E+04 9.377334 6.812893 0.036225 1.983212 0.999658 28.962793 82.757234 0.630301 0.417868 -1.063489 -0.020041 0.011737 -0.007517 0.024411 -0.021062 0.004364 -0.002356 0.035279 -0.012591 -0.025379 -0.004904 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0.10349994E+05 10.067518 7.112558 -0.170049 1.949859 0.999393 27.613717 79.851123 0.600356 0.432434 -1.052887 0.011113 0.008129 0.006662 0.015296 0.002747 0.001437 0.001180 -0.007852 0.035066 -0.010683 -0.001239 0.011921 13.532704 11.947953 5.986247 -1.210086 10.450867 -1.747919 18.199293 -0.000050 448 C 29.455142 17.472670 11.997159 -0.092001 33.764374 0.43122447E+03 0.10155465E+05 9.224483 7.006450 0.018030 1.982481 0.999624 29.296184 85.333097 0.609236 0.426898 -1.053651 0.014169 0.000049 -0.023153 0.027145 -0.007871 0.000870 0.004393 0.029923 0.056149 -0.026704 0.007544 0.019161 11.983156 9.687541 5.037748 -4.204152 16.780243 -3.647172 9.481684 0.000753 449 C 31.723652 19.033429 8.133769 -0.289983 42.589687 0.53877566E+03 0.13438750E+05 10.703522 7.805255 -0.149454 1.897532 0.999242 32.987087 99.464973 0.579106 0.424031 -1.053537 -0.006857 0.013030 0.005183 0.015609 -0.003139 0.017788 0.006368 0.025362 -0.049841 -0.026011 -0.002069 0.028079 14.339356 13.880959 7.004378 -3.469965 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10.289810 0.000586 458 C 31.114796 16.639297 9.959210 -0.150029 34.147564 0.42440188E+03 0.99234998E+04 9.164594 6.866935 0.238974 2.047140 0.999753 29.449945 84.593606 0.628693 0.416658 -1.063433 -0.021302 -0.013640 0.018302 0.031222 -0.009306 -0.013573 0.013722 0.018019 0.027491 -0.020439 -0.006809 0.027248 11.950844 10.476703 5.855986 -4.057319 16.435924 -3.158342 8.939905 -0.000678 459 C 33.904912 20.592554 12.185085 0.063190 41.202294 0.41792898E+03 0.96905432E+04 10.474608 6.851268 -0.079397 1.984108 0.999429 26.740697 75.363194 0.627176 0.421183 -1.065395 0.005866 0.010286 -0.004016 0.012504 0.000975 0.003241 -0.004293 0.020545 0.044318 -0.018309 0.002250 0.016059 15.044623 9.398751 3.555303 0.574081 8.853413 -1.094180 26.881704 0.000040 460 C 34.563626 21.482192 10.026951 -0.139634 37.013665 0.47037814E+03 0.11358940E+05 9.842581 7.369734 -0.117695 1.930172 0.999128 30.646916 91.391115 0.585771 0.433000 -1.046399 -0.022766 -0.010221 0.011165 0.027339 0.005825 -0.017711 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21.464712 11.382306 -0.138378 36.398417 0.45510374E+03 0.10864014E+05 9.652666 7.178125 0.036895 1.978324 0.999534 30.166693 88.487015 0.604343 0.424564 -1.055019 -0.027656 -0.005522 -0.007864 0.029278 0.009954 0.012288 0.015336 -0.013271 -0.037295 -0.022406 -0.005190 0.027595 12.207945 9.128221 3.794806 -2.107634 8.665442 -2.351450 18.830173 -0.000078 467 C 32.854927 20.366937 15.805920 -0.096033 35.238997 0.41656205E+03 0.96873731E+04 9.377563 6.813059 0.036401 1.983247 0.999659 28.964108 82.762245 0.630295 0.417865 -1.063489 0.020021 0.007871 -0.011749 0.024512 0.004314 -0.021057 -0.002389 0.024011 -0.046616 -0.025367 -0.004931 0.030299 12.191440 9.114129 0.708788 1.340321 5.199758 -0.650609 22.260432 0.000701 468 C 35.222339 20.707278 15.726708 -0.096350 35.272863 0.41321088E+03 0.95946881E+04 9.396702 6.791032 0.007834 1.973413 0.999622 29.042700 83.054036 0.630254 0.418534 -1.062550 -0.016954 -0.003096 -0.021693 0.027706 0.005726 0.020876 0.001760 0.034041 -0.042854 -0.023476 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0.43209102E+03 0.10181614E+05 9.235868 7.013852 0.012502 1.980383 0.999654 29.329693 85.472172 0.608829 0.426942 -1.053558 0.014597 0.002139 0.022608 0.026996 0.007651 -0.001124 0.003747 0.028669 0.056576 -0.026018 0.006816 0.019202 11.999973 9.701209 -5.046670 4.211027 16.804213 -3.653962 9.494498 0.000655 475 C 18.175452 21.938618 5.523577 -0.286773 42.489689 0.53716277E+03 0.13388868E+05 10.689918 7.795687 -0.146564 1.898937 0.999235 32.938039 99.290664 0.579207 0.424262 -1.053364 -0.007611 -0.011765 -0.005295 0.014979 0.001375 -0.017470 0.006903 0.025409 -0.050297 -0.025831 -0.002135 0.027966 14.320615 13.865153 -6.996527 3.461973 11.576462 -4.239954 17.520230 0.000016 476 C 18.963957 21.062090 6.308875 0.221146 34.903820 0.38058629E+03 0.86948562E+04 9.555191 6.698455 -0.090221 1.977075 0.999700 26.395307 75.939176 0.606414 0.442107 -1.043567 -0.030400 0.014721 0.060449 0.069246 -0.002914 -0.002811 -0.002214 -0.004855 0.072414 -0.016164 -0.008296 0.024459 12.894439 13.681235 -7.051674 1.289658 10.637203 -1.293216 14.364880 -0.000030 477 C 19.275024 21.174079 3.520044 0.023682 40.430947 0.44431524E+03 0.10488036E+05 10.358584 7.098571 -0.135379 1.958480 0.999351 27.664237 79.325021 0.610128 0.425287 -1.060102 0.011918 -0.005060 -0.018633 0.022690 -0.005213 -0.012256 0.006839 0.007355 0.046199 -0.014092 -0.009281 0.023374 14.431970 13.781344 -7.632604 -0.433444 12.203830 -0.572630 17.310736 0.000033 478 C 16.812503 25.259537 2.986042 -0.101347 32.615604 0.41113216E+03 0.95414086E+04 8.917921 6.789181 0.084305 2.000757 0.999721 28.973809 83.034573 0.627755 0.420421 -1.060575 0.001314 -0.028563 0.001706 0.028644 0.008932 -0.010646 0.009408 -0.034669 -0.032138 -0.025494 -0.000697 0.026191 11.269733 9.950129 -4.798891 4.485178 13.895758 -3.366014 9.963311 0.000467 479 C 19.485292 21.206036 2.114157 -0.207679 39.991945 0.48877704E+03 0.11915536E+05 10.324854 7.490161 -0.120592 1.914321 0.999222 31.777876 95.174872 0.583715 0.430430 -1.048087 0.006183 -0.000348 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10.798951 7.061563 -0.180234 1.945186 0.999173 27.400405 78.384521 0.610005 0.426968 -1.059210 -0.012899 0.006296 0.004546 0.015056 0.010237 0.017964 -0.005452 -0.007710 -0.030171 -0.026416 0.008246 0.018169 16.296725 16.522080 -10.633844 2.867800 16.327464 -4.057746 16.040631 0.000039 483 C 16.645048 22.578600 2.402874 -0.147647 35.484836 0.46634062E+03 0.11210833E+05 9.559409 7.303952 -0.012062 1.970671 0.998695 30.151032 89.024437 0.593920 0.428987 -1.051304 -0.017732 0.024108 -0.003062 0.030083 0.000863 -0.018469 0.005972 -0.016155 -0.029809 -0.025987 0.009780 0.016207 12.417250 12.032695 -5.188484 5.279654 14.923600 -3.340420 10.295456 0.000724 484 C 17.566596 24.332750 3.698136 -0.151698 34.203411 0.42518661E+03 0.99465447E+04 9.173799 6.872559 0.241046 2.047207 0.999744 29.484321 84.715232 0.628528 0.416571 -1.063478 -0.021797 0.013288 -0.018263 0.031388 0.009125 0.013637 0.013921 0.018670 0.030422 -0.021089 -0.006594 0.027683 11.965137 10.489051 -5.865670 4.062735 16.457612 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7.496811 6.049163 0.204090 2.185202 0.998744 23.054681 58.296663 0.760743 0.365863 -1.131735 0.065331 0.144190 0.062907 0.170341 0.063155 -0.073500 -0.087566 -0.028600 0.340899 -0.121628 -0.065093 0.186721 8.454894 7.207438 2.397625 -2.490491 6.307533 -2.590758 11.849710 0.000004 770 O 18.769947 13.986216 1.641067 -0.522165 31.455920 0.47796412E+03 0.11177373E+05 7.971808 6.757868 0.374618 2.165695 0.999199 27.212010 70.970167 0.730981 0.358307 -1.137467 -0.009863 0.015033 -0.009831 0.020492 0.001047 0.054688 0.003426 -0.010895 -0.117380 -0.073385 0.024757 0.048628 9.937312 7.551775 -4.232015 -1.343661 14.801658 2.856095 7.458504 -0.060264 771 O 27.962943 20.486852 22.403238 -0.534189 34.016168 0.50562312E+03 0.11983444E+05 8.409556 6.950618 0.343028 2.151543 0.999045 27.469080 71.960170 0.721274 0.358304 -1.138250 -0.019023 -0.002214 0.015830 0.024846 -0.000744 -0.048948 -0.002287 -0.067319 -0.073003 -0.071921 0.025999 0.045923 10.554618 7.518262 -0.227383 -3.036222 6.323289 0.672242 17.822302 0.062833 772 O 19.215141 15.568009 0.098606 -0.541487 31.805886 0.50938674E+03 0.12095944E+05 8.013089 6.981994 0.390750 2.164248 0.999159 27.680968 72.602788 0.718739 0.358874 -1.137712 -0.016325 0.002208 0.013018 0.020997 0.037546 -0.003639 0.005660 0.086518 0.109496 -0.075915 0.036171 0.039743 9.432243 7.971246 -2.708754 -3.426905 8.947535 3.296973 11.377949 0.053571 773 O 25.721800 20.488764 22.439567 -0.540355 32.550617 0.49580868E+03 0.11702083E+05 8.173690 6.882688 0.315156 2.138783 0.998904 27.673939 72.521982 0.724309 0.358289 -1.137416 0.017695 -0.001351 0.012640 0.021788 0.001093 0.053067 0.001949 -0.048865 -0.069821 -0.071364 0.033527 0.037837 9.830030 7.443808 0.163566 2.825063 6.113757 0.835371 15.932525 0.064727 774 O 15.038773 20.006651 7.649480 -0.206204 28.226065 0.37475822E+03 0.82452217E+04 7.491726 6.045666 0.209261 2.187210 0.998791 23.049189 58.271402 0.761179 0.365737 -1.131860 0.065629 -0.144464 -0.061694 0.170244 -0.063434 0.073165 -0.087639 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31.442214 0.47773743E+03 0.11170412E+05 7.967990 6.755145 0.379812 2.167536 0.999221 27.210887 70.955002 0.731332 0.358188 -1.137595 0.009949 -0.009178 0.014059 0.019516 -0.055195 -0.001500 0.003815 0.053115 0.073143 -0.073503 0.024007 0.049496 9.931398 7.547718 1.342245 4.228585 7.454608 2.853584 14.791868 0.053007 781 O 26.229857 8.745896 6.829493 -0.534766 34.046481 0.50614376E+03 0.11999182E+05 8.415226 6.954756 0.305281 2.139270 0.998949 27.480121 72.005390 0.720953 0.358361 -1.138174 0.018307 0.015667 -0.002397 0.024215 0.048227 0.000539 -0.002546 0.003929 0.139385 -0.071540 0.024949 0.046591 10.562888 7.522658 3.038888 0.227359 17.838601 0.672045 6.327406 0.062668 782 O 21.429459 13.755954 1.910663 -0.540124 31.734236 0.50800218E+03 0.12054391E+05 7.999720 6.971522 0.392065 2.165156 0.999162 27.651927 72.491320 0.719458 0.358774 -1.137836 0.016269 0.014342 0.001519 0.021741 0.004162 -0.037597 0.005194 -0.012638 -0.185215 -0.076174 0.035944 0.040230 9.414081 7.956091 3.418740 2.700663 11.357408 3.287508 8.928744 -0.060923 783 O 28.471000 8.782224 6.831405 -0.539571 32.503676 0.49494619E+03 0.11676226E+05 8.164385 6.875611 0.313768 2.138776 0.998963 27.657118 72.452393 0.724879 0.358175 -1.137547 -0.018622 0.012674 -0.001672 0.022588 -0.053164 -0.001079 0.002067 0.010398 0.107796 -0.071390 0.033494 0.037896 9.817288 7.436484 -2.822189 -0.163685 15.908368 0.834399 6.107013 0.064626 784 O 25.605827 21.306830 6.349300 -0.205917 28.239242 0.37494437E+03 0.82505106E+04 7.495321 6.048170 0.204238 2.185327 0.998743 23.051353 58.284991 0.760816 0.365858 -1.131743 -0.065245 -0.062829 -0.144104 0.170206 -0.073466 0.063173 -0.087501 -0.184833 -0.127541 -0.121672 -0.065013 0.186684 8.453115 7.206334 -2.489911 2.397381 11.846296 -2.590282 6.306717 -0.000002 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 11.827709 The total net atomic charge of the unit cell is 0.000011 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= 2864095 The rms potential error without charges in kcal/mol is= 4.93133 The rms potential error with partial charges in kcal/mol is= 0.56549 The RRMSE value at monopole order= 0.11467 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.56333 The RRMSE value at monopole order with cloud penetration is= 0.11423 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.28042 The RRMSE value at dipole order= 0.05686 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.27070 The RRMSE value at dipole order with cloud penetration= 0.05489 ****************************************************** 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.