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31.368952 11.235619 29.519974 -0.139411 C 35.954919 11.277638 26.693212 -0.137094 C 37.142820 11.258319 25.972604 -0.135125 C 22.653774 18.903930 27.618731 0.609813 C 23.624590 19.814593 28.283671 -0.013610 C 24.211430 20.853730 27.554867 -0.139514 C 26.543731 24.805974 24.732886 -0.137123 C 27.120951 25.844387 24.012279 -0.135141 C 61.001226 32.340500 8.616552 0.608756 C 60.030410 33.270965 9.253487 -0.010170 C 59.443570 32.930221 10.476129 -0.139957 C 57.111268 31.587047 15.143002 -0.137056 C 56.534049 31.253789 16.362228 -0.135112 C 53.463910 33.745978 0.379087 0.609803 C 53.481060 32.264913 0.520818 -0.013607 C 52.286048 31.576905 0.753052 -0.139514 C 47.700081 28.925814 1.734922 -0.137123 C 46.512180 28.239979 1.956910 -0.135141 C 46.871897 43.376647 27.618731 0.608765 C 47.175146 42.080563 28.283671 -0.010173 C 47.781645 41.052777 27.554867 -0.139955 C 50.038238 37.056822 24.732886 -0.137060 C 50.648920 36.037730 24.012279 -0.135116 C 36.783103 40.498072 31.689651 0.609823 C 36.479854 40.692955 30.246046 -0.013347 C 35.873355 39.663237 29.519974 -0.139418 C 33.616762 35.670663 26.693212 -0.137101 C 33.006080 34.651570 25.972604 -0.135128 C 44.320419 9.273262 0.379087 0.609820 C 43.029204 9.998943 0.520818 -0.013595 C 43.030877 11.377857 0.753052 -0.139496 C 43.027949 16.674966 1.734922 -0.137115 C 43.027949 18.046636 1.956910 -0.135136 C 39.334581 3.448494 8.616552 0.608750 C 40.625796 3.824013 9.253487 -0.010422 C 40.624123 4.502603 10.476129 -0.140057 C 40.627051 7.194022 15.143002 -0.137078 C 40.627051 7.860538 16.362228 -0.135123 C 27.698170 29.428116 0.379087 0.608734 C 28.972236 30.183500 0.520818 -0.010430 C 30.165575 29.492594 0.753052 -0.140064 C 34.754470 26.846575 1.734922 -0.137082 C 35.942371 26.160740 1.956910 -0.135125 C 25.146693 36.658362 8.616552 0.609810 C 24.826294 35.352378 9.253487 -0.013322 C 25.414807 35.014532 10.476129 -0.139412 C 27.744181 33.666286 15.143002 -0.137095 C 28.321400 33.333028 16.362228 -0.135127 C 55.956829 10.166779 27.618731 0.608753 C 54.682764 10.552199 28.283671 -0.010411 C 53.489425 10.540849 27.554867 -0.140045 C 48.900530 10.584558 24.732886 -0.137076 C 47.712629 10.565239 24.012279 -0.135122 C 58.508307 20.343217 31.689651 0.609817 C 58.828706 20.508397 30.246046 -0.013597 C 58.240193 21.548500 29.519974 -0.139497 C 55.910819 25.499054 26.693212 -0.137113 C 55.333600 26.537466 25.972604 -0.135133 C 58.508307 27.955020 2.462360 0.609810 C 58.828706 27.789840 3.905965 -0.013330 C 58.240193 26.749737 4.632037 -0.139415 C 55.910819 22.799183 7.458799 -0.137095 C 55.333600 21.760771 8.179407 -0.135124 C 55.956829 38.131458 6.533280 0.608754 C 54.682764 37.746038 5.868340 -0.010418 C 53.489425 37.757388 6.597144 -0.140057 C 48.900530 37.713679 9.419125 -0.137081 C 47.712629 37.732998 10.139732 -0.135126 C 25.146693 11.639875 25.535459 0.608734 C 24.826294 12.945859 24.898524 -0.010426 C 25.414807 13.283705 23.675882 -0.140055 C 27.744181 14.631951 19.009009 -0.137075 C 28.321400 14.965209 17.789783 -0.135119 C 27.698170 18.870121 33.772924 0.609820 C 28.972236 18.114737 33.631193 -0.013594 C 30.165575 18.805643 33.398959 -0.139497 C 34.754470 21.451662 32.417089 -0.137116 C 35.942371 22.137497 32.195101 -0.135138 C 22.653774 29.394307 6.533280 0.608769 C 23.624590 28.483644 5.868340 -0.010170 C 24.211430 27.444507 6.597144 -0.139947 C 26.543732 23.492263 9.419125 -0.137057 C 27.120951 22.453850 10.139732 -0.135114 C 30.191090 36.692171 2.462360 0.609812 C 30.173940 37.052234 3.905965 -0.013605 C 31.368952 37.062618 4.632037 -0.139507 C 35.954919 37.020599 7.458799 -0.137118 C 37.142820 37.039918 8.179407 -0.135136 C 53.463910 14.552259 33.772924 0.609805 C 53.481060 16.033324 33.631193 -0.013613 C 52.286048 16.721332 33.398959 -0.139517 C 47.700081 19.372423 32.417089 -0.137123 C 46.512180 20.058258 32.195101 -0.135139 C 61.001226 15.957737 25.535459 0.609822 C 60.030410 15.027272 24.898524 -0.013346 C 59.443570 15.368016 23.675882 -0.139418 C 57.111269 16.711190 19.009009 -0.137101 C 56.534049 17.044448 17.789783 -0.135131 C 44.320419 39.024975 33.772924 0.608732 C 43.029204 38.299294 33.631193 -0.010426 C 43.030877 36.920380 33.398959 -0.140061 C 43.027949 31.623271 32.417089 -0.137081 C 43.027949 30.251601 32.195101 -0.135125 C 39.334581 44.849743 25.535459 0.608741 C 40.625796 44.474224 24.898524 -0.010148 C 40.624123 43.795634 23.675882 -0.139949 C 40.627051 41.104215 19.009009 -0.137054 C 40.627051 40.437699 17.789783 -0.135111 C 46.871896 4.921590 6.533280 0.609813 C 47.175146 6.217674 5.868340 -0.013611 C 47.781645 7.245460 6.597144 -0.139509 C 50.038238 11.241415 9.419125 -0.137122 C 50.648920 12.260507 10.139732 -0.135139 C 36.783104 7.800165 2.462360 0.609835 C 36.479854 7.605282 3.905965 -0.013336 C 35.873355 8.635000 4.632037 -0.139404 C 33.616762 12.627574 7.458799 -0.137095 C 33.006080 13.646667 8.179407 -0.135126 C 54.647629 37.375591 4.549048 -0.110790 C 52.298596 37.396842 5.980017 0.153086 C 51.075560 37.409400 6.724531 -0.104516 C 50.109345 37.344197 7.339267 -0.100305 C 48.896347 37.358686 8.076951 0.147257 C 46.512180 37.392495 9.524996 0.146953 C 45.286634 37.409400 10.269510 -0.108982 C 44.270226 37.421474 10.887661 -0.114936 C 43.032132 37.682285 11.553625 0.163932 C 59.692025 28.638440 4.549048 -0.110786 C 58.535913 26.593492 5.980017 0.153100 C 57.935270 25.528033 6.724531 -0.104551 C 57.395695 24.723868 7.339267 -0.100276 C 56.801745 23.666136 8.076951 0.147237 C 55.638941 21.584482 9.524996 0.146971 C 55.040807 20.514676 10.269510 -0.109011 C 54.543060 19.628404 10.887661 -0.114904 C 54.149881 18.425777 11.553625 0.163919 C 23.962975 13.835030 25.484231 -0.110784 C 25.119087 14.502511 23.079246 0.153102 C 25.719730 14.849293 21.826550 -0.104536 C 26.259305 15.160816 20.863464 -0.100279 C 26.853255 15.503734 19.620330 0.147248 C 28.016059 16.175080 17.175046 0.146958 C 28.614193 16.520412 15.918252 -0.108980 C 29.111940 16.807786 14.876616 -0.114932 C 29.505118 17.034788 13.520781 0.163933 C 29.007371 16.747413 33.721696 -0.110315 C 31.356404 18.103628 33.264742 0.152860 C 32.579440 18.809748 33.028410 -0.104455 C 33.545655 19.367593 32.762024 -0.100519 C 34.758653 20.067917 32.529790 0.147332 C 37.142820 21.444417 32.078984 0.146911 C 38.368366 22.151986 31.846750 -0.108953 C 39.384774 22.738810 31.652084 -0.114994 C 40.622868 23.453624 31.675990 0.163948 C 36.783103 6.433325 4.549048 -0.110800 C 35.590183 8.457021 5.980017 0.153085 C 34.967790 9.509923 6.724531 -0.104505 C 34.541149 10.379291 7.339267 -0.100307 C 33.922103 11.422533 8.076951 0.147265 C 32.700739 13.470378 9.524996 0.146944 C 32.073327 14.523280 10.269510 -0.108961 C 31.554666 15.397478 10.887661 -0.114956 C 30.709750 16.339294 11.553625 0.163942 C 46.871896 6.433325 4.549048 -0.110311 C 48.064817 8.457021 5.980017 0.152860 C 48.687210 9.509923 6.724531 -0.104449 C 49.113850 10.379291 7.339267 -0.100522 C 49.732897 11.422533 8.076951 0.147336 C 50.954261 13.470378 9.524996 0.146905 C 51.581673 14.523280 10.269510 -0.108939 C 52.100334 15.397478 10.887661 -0.115006 C 52.945250 16.339294 11.553625 0.163954 C 41.827500 38.952528 33.721696 -0.110782 C 41.827500 36.240099 33.264742 0.153102 C 41.827500 34.827859 33.028410 -0.104559 C 41.827500 33.712169 32.762024 -0.100273 C 41.827500 32.311520 32.529790 0.147231 C 41.827500 29.558521 32.078984 0.146979 C 41.827500 28.143383 31.846750 -0.109027 C 41.827500 26.969735 31.652084 -0.114889 C 41.827500 25.540108 31.675990 0.163912 C 41.827500 44.777296 25.484231 -0.111258 C 41.827500 43.442332 23.079246 0.153319 C 41.827500 42.748770 21.826550 -0.104590 C 41.827500 42.125722 20.863464 -0.100081 C 41.827500 41.439887 19.620330 0.147173 C 41.827500 40.097196 17.175046 0.147007 C 41.827500 39.406532 15.918252 -0.109035 C 41.827500 38.831783 14.876616 -0.114855 C 41.827500 38.377779 13.520781 0.163905 C 54.647629 16.747413 33.721696 -0.110311 C 52.298596 18.103628 33.264742 0.152863 C 51.075560 18.809748 33.028410 -0.104469 C 50.109345 19.367593 32.762024 -0.100513 C 48.896347 20.067917 32.529790 0.147326 C 46.512180 21.444417 32.078984 0.146917 C 45.286634 22.151986 31.846750 -0.108962 C 44.270226 22.738810 31.652084 -0.114984 C 43.032132 23.453624 31.675990 0.163944 C 59.692025 13.835030 25.484231 -0.110802 C 58.535913 14.502511 23.079246 0.153089 C 57.935270 14.849293 21.826550 -0.104531 C 57.395696 15.160816 20.863464 -0.100294 C 56.801745 15.503734 19.620330 0.147249 C 55.638941 16.175080 17.175046 0.146961 C 55.040807 16.520412 15.918252 -0.108999 C 54.543060 16.807786 14.876616 -0.114920 C 54.149882 17.034788 13.520781 0.163924 C 29.007371 37.375591 4.549048 -0.110305 C 31.356404 37.396842 5.980017 0.152858 C 32.579440 37.409400 6.724531 -0.104450 C 33.545655 37.344197 7.339267 -0.100525 C 34.758653 37.358686 8.076951 0.147335 C 37.142820 37.392495 9.524996 0.146905 C 38.368366 37.409400 10.269510 -0.108936 C 39.384774 37.421474 10.887661 -0.115008 C 40.622868 37.682285 11.553625 0.163956 C 23.962975 28.638440 4.549048 -0.111279 C 25.119087 26.593492 5.980017 0.153317 C 25.719730 25.528033 6.724531 -0.104585 C 26.259304 24.723868 7.339267 -0.100082 C 26.853255 23.666136 8.076951 0.147178 C 28.016060 21.584482 9.524996 0.147002 C 28.614193 20.514676 10.269510 -0.109020 C 29.111940 19.628404 10.887661 -0.114868 C 29.505118 18.425777 11.553625 0.163912 C 23.962975 19.659797 29.602963 -0.110309 C 25.119087 21.704745 28.171994 0.152862 C 25.719730 22.770204 27.427480 -0.104454 C 26.259304 23.574369 26.812744 -0.100518 C 26.853255 24.632101 26.075060 0.147333 C 28.016059 26.713755 24.627015 0.146907 C 28.614193 27.783561 23.882501 -0.108943 C 29.111940 28.669833 23.264350 -0.115003 C 29.505119 29.872460 22.598386 0.163952 C 29.007371 10.922646 29.602963 -0.110789 C 31.356404 10.901395 28.171994 0.153099 C 32.579440 10.888837 27.427480 -0.104540 C 33.545655 10.954040 26.812744 -0.100279 C 34.758652 10.939551 26.075060 0.147244 C 37.142820 10.905742 24.627015 0.146963 C 38.368366 10.888837 23.882501 -0.108993 C 39.384774 10.876763 23.264350 -0.114920 C 40.622868 10.615952 22.598386 0.163926 C 59.692025 34.463207 8.667780 -0.111262 C 58.535913 33.795726 11.072765 0.153323 C 57.935270 33.448944 12.325461 -0.104587 C 57.395695 33.137421 13.288547 -0.100077 C 56.801745 32.794503 14.531681 0.147177 C 55.638940 32.123157 16.976965 0.147002 C 55.040807 31.777825 18.233759 -0.109021 C 54.543060 31.490451 19.275395 -0.114868 C 54.149881 31.263449 20.631230 0.163912 C 54.647629 31.550824 0.430315 -0.110307 C 52.298596 30.194609 0.887269 0.152862 C 51.075560 29.488489 1.123601 -0.104474 C 50.109345 28.930644 1.389987 -0.100513 C 48.896347 28.230320 1.622221 0.147322 C 46.512180 26.853820 2.073027 0.146920 C 45.286634 26.146251 2.305261 -0.108969 C 44.270226 25.559427 2.499927 -0.114976 C 43.032132 24.844613 2.476021 0.163941 C 59.692025 19.659797 29.602963 -0.110309 C 58.535913 21.704745 28.171994 0.152860 C 57.935270 22.770204 27.427480 -0.104442 C 57.395695 23.574369 26.812744 -0.100526 C 56.801745 24.632101 26.075060 0.147342 C 55.638940 26.713755 24.627015 0.146897 C 55.040807 27.783561 23.882501 -0.108917 C 54.543060 28.669833 23.264350 -0.115027 C 54.149882 29.872460 22.598386 0.163965 C 54.647629 10.922646 29.602963 -0.110796 C 52.298596 10.901395 28.171994 0.153087 C 51.075560 10.888837 27.427480 -0.104512 C 50.109345 10.954040 26.812744 -0.100302 C 48.896347 10.939551 26.075060 0.147259 C 46.512180 10.905742 24.627015 0.146951 C 45.286634 10.888837 23.882501 -0.108977 C 44.270226 10.876763 23.264350 -0.114940 C 43.032132 10.615952 22.598386 0.163934 C 29.007371 31.550824 0.430315 -0.110788 C 31.356404 30.194609 0.887269 0.153102 C 32.579440 29.488489 1.123601 -0.104554 C 33.545655 28.930644 1.389987 -0.100274 C 34.758652 28.230320 1.622221 0.147235 C 37.142820 26.853820 2.073027 0.146975 C 38.368366 26.146251 2.305261 -0.109022 C 39.384774 25.559427 2.499927 -0.114895 C 40.622868 24.844613 2.476021 0.163914 C 23.962975 34.463207 8.667780 -0.110785 C 25.119087 33.795726 11.072765 0.153098 C 25.719730 33.448944 12.325461 -0.104544 C 26.259304 33.137421 13.288547 -0.100282 C 26.853255 32.794503 14.531681 0.147241 C 28.016060 32.123157 16.976965 0.146968 C 28.614193 31.777825 18.233759 -0.109008 C 29.111940 31.490451 19.275395 -0.114909 C 29.505118 31.263449 20.631230 0.163921 C 41.827500 9.345709 0.430315 -0.110313 C 41.827500 12.058138 0.887269 0.152861 C 41.827500 13.470378 1.123601 -0.104455 C 41.827500 14.586068 1.389987 -0.100518 C 41.827500 15.986717 1.622221 0.147332 C 41.827500 18.739716 2.073027 0.146910 C 41.827500 20.154854 2.305261 -0.108952 C 41.827500 21.328502 2.499927 -0.114996 C 41.827500 22.758129 2.476021 0.163949 C 41.827500 3.520941 8.667780 -0.110801 C 41.827500 4.855905 11.072765 0.153086 C 41.827500 5.549467 12.325461 -0.104525 C 41.827500 6.172515 13.288547 -0.100298 C 41.827500 6.858350 14.531681 0.147253 C 41.827500 8.201041 16.976965 0.146955 C 41.827500 8.891705 18.233759 -0.108984 C 41.827500 9.466454 19.275395 -0.114932 C 41.827500 9.920458 20.631230 0.163930 C 36.783103 41.864912 29.602963 -0.110791 C 35.590183 39.841216 28.171994 0.153085 C 34.967790 38.788314 27.427480 -0.104524 C 34.541149 37.918946 26.812744 -0.100303 C 33.922102 36.875704 26.075060 0.147251 C 32.700739 34.827859 24.627015 0.146960 C 32.073327 33.774957 23.882501 -0.108997 C 31.554666 32.900759 23.264350 -0.114920 C 30.709750 31.958943 22.598386 0.163925 C 46.871897 41.864912 29.602963 -0.111274 C 48.064817 39.841216 28.171994 0.153314 C 48.687210 38.788314 27.427480 -0.104584 C 49.113850 37.918946 26.812744 -0.100088 C 49.732897 36.875704 26.075060 0.147178 C 50.954261 34.827859 24.627015 0.147002 C 51.581673 33.774957 23.882501 -0.109022 C 52.100334 32.900759 23.264350 -0.114867 C 52.945249 31.958943 22.598386 0.163911 C 43.032132 38.049351 12.899215 -0.192412 C 53.263139 17.546750 10.932059 -0.192401 C 30.391861 16.155760 12.899215 -0.192386 C 40.622868 24.844613 31.573534 -0.192416 C 30.391861 17.546750 10.932059 -0.192395 C 53.263139 16.155760 12.899215 -0.192398 C 43.032132 24.844613 31.573534 -0.192419 C 40.622868 38.049351 12.899215 -0.192400 C 41.827500 22.758129 31.573534 -0.192402 C 54.467771 18.242244 12.899215 -0.192417 C 41.827500 37.353857 10.932059 -0.192389 C 29.187229 18.242244 12.899215 -0.192401 C 29.187229 30.055993 21.252796 -0.192404 C 41.827500 10.944380 23.219952 -0.192400 C 54.467771 30.055993 21.252796 -0.192387 C 41.827500 25.540108 2.578477 -0.192420 C 53.263138 30.751487 23.219952 -0.192387 C 43.032132 10.248886 21.252796 -0.192397 C 40.622868 23.453624 2.578477 -0.192415 C 30.391861 32.142477 21.252796 -0.192415 C 43.032132 23.453624 2.578477 -0.192402 C 40.622868 10.248886 21.252796 -0.192401 C 30.391861 30.751487 23.219952 -0.192400 C 53.263138 32.142477 21.252796 -0.192411 O 54.556863 36.568286 1.889631 -0.526933 O 52.330385 36.535202 1.905682 -0.549546 O 61.397332 30.377901 5.890197 -0.526739 O 61.365125 29.106933 7.718354 -0.549012 O 22.257668 15.679298 26.677160 -0.526931 O 22.289875 16.979245 24.869494 -0.549487 O 29.098137 13.970989 33.847034 -0.527034 O 31.324615 13.975095 33.810491 -0.549566 O 37.436867 4.086755 5.890197 -0.526730 O 36.352280 4.750132 7.718354 -0.549038 O 46.218133 6.915583 1.889631 -0.527034 O 47.302720 8.860312 1.905682 -0.549526 O 39.377663 40.262135 33.847034 -0.526939 O 38.267980 38.331896 33.810491 -0.549523 O 44.277337 45.332001 26.677160 -0.526659 O 45.387020 44.654135 24.869494 -0.549021 O 57.006700 18.214231 33.847034 -0.527028 O 55.889905 20.140365 33.810491 -0.549552 O 58.947496 11.436056 26.677160 -0.526748 O 57.805605 10.813975 24.869494 -0.549052 O 26.648300 37.982700 5.890197 -0.527020 O 27.765094 38.590292 7.718354 -0.549540 O 24.707504 28.963487 1.889631 -0.526650 O 25.849395 27.051843 1.905682 -0.549031 O 24.707504 19.334750 32.262380 -0.527041 O 25.849395 21.246394 32.246329 -0.549527 O 26.648300 10.315537 28.261814 -0.526736 O 27.765095 9.707945 26.433657 -0.548961 O 58.947496 36.862181 7.474851 -0.526642 O 57.805605 37.484262 9.282517 -0.548977 O 57.006700 30.084006 0.304977 -0.527029 O 55.889905 28.157872 0.341520 -0.549596 O 61.397332 17.920336 28.261814 -0.527024 O 61.365125 19.191304 26.433657 -0.549562 O 54.556863 11.729951 32.262380 -0.526932 O 52.330385 11.763035 32.246329 -0.549542 O 29.098137 34.327248 0.304977 -0.526942 O 31.324615 34.323142 0.341520 -0.549501 O 22.257668 32.618939 7.474851 -0.526742 O 22.289875 31.318992 9.282517 -0.549011 O 39.377663 8.036102 0.304977 -0.527036 O 38.267980 9.966341 0.341520 -0.549547 O 44.277337 2.966236 7.474851 -0.526947 O 45.387020 3.644102 9.282517 -0.549578 O 37.436867 44.211482 28.261814 -0.526740 O 36.352280 43.548105 26.433657 -0.549048 O 46.218133 41.382654 32.262380 -0.526648 O 47.302720 39.437925 32.246329 -0.549033 O 29.098137 11.729951 32.262380 -0.526945 O 31.324615 11.763035 32.246329 -0.549496 O 22.257668 17.920336 28.261814 -0.527027 O 22.289875 19.191304 26.433657 -0.549530 O 61.397332 32.618939 7.474851 -0.526646 O 61.365125 31.318992 9.282517 -0.548958 O 54.556863 34.327248 0.304977 -0.527025 O 52.330385 34.323142 0.341520 -0.549581 O 46.218133 44.211482 28.261814 -0.526682 O 47.302720 43.548105 26.433657 -0.549097 O 37.436867 41.382654 32.262380 -0.526944 O 36.352280 39.437925 32.246329 -0.549596 O 44.277337 8.036102 0.304977 -0.527036 O 45.387020 9.966341 0.341520 -0.549521 O 39.377663 2.966236 7.474851 -0.526748 O 38.267980 3.644102 9.282517 -0.549057 O 26.648300 30.084006 0.304977 -0.526727 O 27.765095 28.157872 0.341520 -0.549006 O 24.707504 36.862181 7.474851 -0.526927 O 25.849395 37.484262 9.282517 -0.549490 O 57.006700 10.315537 28.261814 -0.526726 O 55.889906 9.707945 26.433657 -0.549038 O 58.947496 19.334750 32.262380 -0.527022 O 57.805605 21.246394 32.246329 -0.549518 O 58.947496 28.963487 1.889631 -0.526928 O 57.805605 27.051843 1.905682 -0.549488 O 57.006700 37.982700 5.890197 -0.526752 O 55.889905 38.590292 7.718354 -0.549047 O 24.707504 11.436056 26.677160 -0.526738 O 25.849395 10.813975 24.869494 -0.548927 O 26.648300 18.214231 33.847034 -0.527036 O 27.765094 20.140365 33.810491 -0.549527 O 22.257668 30.377901 5.890197 -0.526660 O 22.289875 29.106933 7.718354 -0.549065 O 29.098137 36.568286 1.889631 -0.527029 O 31.324615 36.535202 1.905682 -0.549570 O 54.556863 13.970989 33.847034 -0.527034 O 52.330385 13.975095 33.810491 -0.549579 O 61.397332 15.679298 26.677160 -0.526943 O 61.365125 16.979245 24.869494 -0.549573 O 44.277337 40.262135 33.847034 -0.526723 O 45.387020 38.331896 33.810491 -0.549009 O 39.377663 45.332001 26.677160 -0.526634 O 38.267980 44.654135 24.869494 -0.548971 O 46.218133 4.086755 5.890197 -0.527027 O 47.302720 4.750132 7.718354 -0.549568 O 37.436867 6.915583 1.889631 -0.526948 O 36.352280 8.860312 1.905682 -0.549550 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 33.849323 0.000000 0.000000 0.895970 48.205719 0.68111251E+03 0.16767238E+05 11.487239 8.948021 1.188828 2.324302 0.996957 38.843952 92.046884 0.564413 0.440825 -1.120969 0.144953 0.000002 0.000004 0.144953 0.000004 0.000005 0.001778 -0.184018 0.181634 -0.122282 0.059265 0.063016 16.062606 7.215836 -0.000052 0.000045 21.107903 1.757287 19.864079 -0.728709 2 Cu 31.203315 0.000000 0.000000 0.891382 49.273929 0.71210154E+03 0.17749373E+05 11.734215 9.204496 1.108122 2.295542 0.996479 39.261168 94.016135 0.550777 0.446159 -1.116144 -0.147779 -0.000003 -0.000002 0.147779 0.000005 0.000005 -0.004186 -0.185158 0.191240 -0.124452 0.057772 0.066680 16.152297 7.396803 -0.000025 0.000015 20.884005 0.999404 20.176082 -0.724401 3 Cu 20.913750 31.617475 6.514155 0.888051 48.864817 0.69181469E+03 0.17104576E+05 11.609878 9.035498 1.150740 2.311339 0.996707 39.001431 92.750760 0.559806 0.442533 -1.119404 -0.000000 0.082375 -0.116496 0.142678 -0.000026 -0.000012 0.087855 0.058215 -0.182471 -0.122944 0.059519 0.063425 16.250541 18.838607 0.000296 0.000233 17.512196 7.228586 12.400820 -0.667009 4 Cu 20.913750 30.089802 8.674611 0.886735 49.700030 0.71933609E+03 0.17980618E+05 11.815482 9.264292 1.001779 2.262142 0.995994 39.357136 94.474973 0.547658 0.447429 -1.115007 0.000014 -0.083814 0.118511 0.145154 -0.000058 -0.000027 0.086046 0.069755 -0.191489 -0.124666 0.057873 0.066793 16.272434 19.615197 0.000163 0.000097 16.985839 6.745252 12.216267 0.702379 5 Cu 20.913750 16.680762 27.637856 0.895956 48.208113 0.68114973E+03 0.16768419E+05 11.487735 8.948366 1.188628 2.324239 0.996955 38.844236 92.048932 0.564391 0.440835 -1.120961 0.000000 -0.083698 0.118333 0.144941 -0.000004 0.000001 0.087347 0.057990 -0.181643 -0.122290 0.059269 0.063021 16.063459 18.622836 -0.000006 0.000016 17.307375 7.134455 12.260165 -0.728673 6 Cu 20.913750 18.208435 25.477400 0.891286 49.281705 0.71223564E+03 0.17753654E+05 11.735719 9.205618 1.107654 2.295380 0.996476 39.262953 94.024657 0.550717 0.446183 -1.116122 -0.000012 0.085309 -0.120665 0.147776 0.000003 0.000016 0.085896 0.069647 -0.191126 -0.124445 0.057767 0.066678 16.154566 19.472513 -0.000014 -0.000039 16.861885 6.691817 12.129299 -0.723942 7 Cu 7.978177 0.000000 0.000000 0.896004 48.204029 0.68108576E+03 0.16766406E+05 11.486954 8.947831 1.188837 2.324313 0.996957 38.843346 92.044821 0.564421 0.440824 -1.120971 -0.144923 -0.000022 -0.000013 0.144923 0.000038 0.000023 0.001768 -0.184057 0.181559 -0.122288 0.059269 0.063019 16.062145 7.215689 0.000972 0.000606 21.106784 1.757383 19.863960 -0.728784 8 Cu 10.624185 0.000000 0.000000 0.891223 49.287060 0.71232160E+03 0.17756373E+05 11.736637 9.206244 1.107467 2.295306 0.996476 39.264528 94.030671 0.550691 0.446190 -1.116115 0.147754 0.000002 0.000003 0.147754 0.000015 0.000010 -0.004201 -0.185202 0.191145 -0.124458 0.057773 0.066685 16.155918 7.398246 0.000279 0.000168 20.888324 0.999885 20.181185 -0.723616 9 Cu 37.838411 2.303101 6.514155 0.887815 48.890022 0.69219122E+03 0.17116449E+05 11.614463 9.038474 1.149737 2.310968 0.996700 39.007202 92.775584 0.559658 0.442584 -1.119356 0.071321 -0.041187 -0.116456 0.142636 0.025192 0.076093 -0.043934 -0.029153 -0.182552 -0.122967 0.059530 0.063437 16.258063 17.852555 0.574369 6.263645 18.515928 -3.615780 12.405706 0.711355 10 Cu 36.515407 3.066938 8.674611 0.886974 49.680991 0.71901956E+03 0.17970529E+05 11.812004 9.261806 1.002553 2.262433 0.995998 39.352176 94.453919 0.547777 0.447386 -1.115046 -0.072572 0.041902 0.118509 0.145144 0.030193 0.074507 -0.043014 -0.034885 -0.191439 -0.124641 0.057865 0.066776 16.267287 17.637700 1.138243 5.839496 18.951891 -3.371230 12.212269 -0.658424 11 Cu 3.989089 6.909304 0.000000 0.895953 48.219009 0.68127879E+03 0.16772457E+05 11.489630 8.949306 1.188378 2.324137 0.996955 38.846345 92.057474 0.564351 0.440844 -1.120950 -0.072436 -0.125457 -0.000003 0.144866 -0.079709 0.001531 -0.000879 0.092052 0.181591 -0.122308 0.059282 0.063026 16.066924 17.639295 -6.017231 1.522348 10.691210 -0.878927 19.870268 -0.728546 12 Cu 5.312092 9.200814 0.000000 0.891399 49.272173 0.71207228E+03 0.17748427E+05 11.733842 9.204210 1.108217 2.295573 0.996479 39.260964 94.014466 0.550795 0.446149 -1.116152 0.073891 0.127977 0.000001 0.147777 -0.080169 -0.003632 0.002101 0.092586 0.191087 -0.124423 0.057761 0.066662 16.151861 17.511290 -5.839810 0.865454 10.768086 -0.499672 20.176208 -0.724114 13 Cu 16.924661 29.314374 0.000000 0.896038 48.194665 0.68096144E+03 0.16762499E+05 11.485236 8.946840 1.189201 2.324445 0.996958 38.841654 92.037027 0.564471 0.440807 -1.120987 0.072499 0.125540 0.000001 0.144971 -0.079669 0.001538 -0.000882 0.092059 0.181578 -0.122273 0.059261 0.063012 16.059109 17.631344 -6.013323 1.521509 10.686124 -0.878414 19.859858 -0.728874 14 Cu 15.601657 27.022864 0.000000 0.891216 49.288134 0.71233836E+03 0.17756917E+05 11.736871 9.206413 1.107390 2.295281 0.996476 39.264617 94.031596 0.550680 0.446196 -1.116110 -0.073882 -0.127958 -0.000020 0.147756 -0.080188 -0.003624 0.002116 0.092630 0.191220 -0.124473 0.057779 0.066694 16.156181 17.516399 -5.841416 0.865892 10.770882 -0.499954 20.181262 -0.723755 15 Cu 24.902839 9.771458 27.637856 0.888098 48.862133 0.69176976E+03 0.17103144E+05 11.609317 9.035083 1.150931 2.311403 0.996708 39.000976 92.748021 0.559832 0.442521 -1.119414 -0.071338 0.041169 0.116481 0.142660 0.025220 0.076096 -0.043948 -0.029091 -0.182517 -0.122973 0.059533 0.063440 16.249728 17.843177 0.574489 6.259441 18.505806 -3.614707 12.400200 -0.667009 16 Cu 26.225842 9.007621 25.477400 0.886671 49.703901 0.71940183E+03 0.17982737E+05 11.816292 9.264891 1.001504 2.262050 0.995993 39.357738 94.478781 0.547623 0.447446 -1.114992 0.072573 -0.041950 -0.118526 0.145172 0.030183 0.074505 -0.042999 -0.034916 -0.191445 -0.124633 0.057857 0.066776 16.273649 17.644472 1.138594 5.841854 18.959322 -3.373250 12.217152 0.702326 17 Cu 37.838411 6.909304 0.000000 0.895958 48.213628 0.68121469E+03 0.16770443E+05 11.488663 8.948812 1.188515 2.324190 0.996955 38.845445 92.053400 0.564375 0.440837 -1.120958 0.072446 -0.125489 0.000011 0.144899 0.079704 -0.001528 -0.000900 0.092019 0.181620 -0.122300 0.059275 0.063026 16.065201 17.637269 6.016623 -1.521923 10.690486 -0.879357 19.867847 -0.728651 18 Cu 36.515407 9.200814 0.000000 0.891380 49.273950 0.71210457E+03 0.17749474E+05 11.734253 9.204541 1.108070 2.295528 0.996478 39.261121 94.016195 0.550773 0.446161 -1.116142 -0.073892 0.127979 0.000016 0.147780 0.080166 0.003624 0.002102 0.092572 0.191148 -0.124427 0.057763 0.066665 16.152435 17.511914 5.840064 -0.865486 10.768601 -0.499914 20.176789 -0.724256 19 Cu 16.924661 9.771458 27.637856 0.887842 48.886616 0.69213967E+03 0.17114813E+05 11.613791 9.038024 1.149945 2.311037 0.996702 39.006669 92.772598 0.559684 0.442573 -1.119366 0.071335 0.041173 0.116457 0.142640 -0.025223 -0.076093 -0.043936 -0.029054 -0.182568 -0.122972 0.059535 0.063437 16.256913 17.851259 -0.574414 -6.262547 18.514606 -3.616375 12.404872 0.711318 20 Cu 15.601657 9.007621 25.477400 0.886928 49.683290 0.71905538E+03 0.17971680E+05 11.812456 9.262115 1.002437 2.262391 0.995998 39.352583 94.456112 0.547760 0.447393 -1.115039 -0.072584 -0.041904 -0.118517 0.145157 -0.030197 -0.074487 -0.043008 -0.034847 -0.191419 -0.124617 0.057851 0.066766 16.267926 17.638127 -1.138175 -5.839480 18.952920 -3.371815 12.212731 -0.658372 21 Cu 3.989089 2.303101 6.514155 0.895977 48.205539 0.68110949E+03 0.16767147E+05 11.487216 8.948007 1.188814 2.324299 0.996957 38.843844 92.046618 0.564413 0.440826 -1.120969 -0.072488 -0.041853 -0.118334 0.144945 -0.025106 -0.075640 -0.043667 -0.028999 -0.181655 -0.122284 0.059268 0.063017 16.062592 17.635236 -0.569640 -6.178246 18.293021 -3.566900 12.259519 -0.728738 22 Cu 5.312092 3.066938 8.674611 0.891308 49.279578 0.71219785E+03 0.17752436E+05 11.735254 9.205258 1.107837 2.295439 0.996478 39.262665 94.022533 0.550740 0.446172 -1.116132 0.073874 0.042665 0.120657 0.147769 -0.030159 -0.074399 -0.042934 -0.034816 -0.191153 -0.124452 0.057771 0.066681 16.153853 17.513827 -1.130473 -5.795020 18.818964 -3.345671 12.128767 -0.723993 23 Cu 24.902839 29.314374 0.000000 0.888004 48.867223 0.69185515E+03 0.17105851E+05 11.610323 9.035823 1.150626 2.311297 0.996706 39.002092 92.753508 0.559790 0.442539 -1.119398 -0.071349 0.123577 -0.000002 0.142696 0.080121 -0.001600 -0.000925 0.092520 0.182520 -0.122937 0.059516 0.063420 16.251180 17.844791 6.093936 -1.545092 10.808010 -0.892110 20.100741 -0.666748 24 Cu 26.225842 27.022864 0.000000 0.886829 49.692269 0.71920657E+03 0.17976489E+05 11.814060 9.263274 1.002103 2.262262 0.995995 39.355150 94.466447 0.547707 0.447411 -1.115023 0.072579 -0.125711 -0.000000 0.145158 0.080297 0.003619 0.002089 0.092721 0.191669 -0.124665 0.057873 0.066792 16.270274 17.640899 5.886128 -0.873516 10.844151 -0.504346 20.325771 0.702682 25 H 51.468739 36.844310 4.204113 0.132598 1.234425 0.92955830E+01 0.93397604E+02 1.812577 1.717861 -1.067756 2.384002 0.997416 3.328137 8.994626 0.512055 1.190504 -0.732277 -0.036344 -0.009106 -0.018991 0.042005 0.004406 0.005637 0.002884 0.019841 -0.013468 -0.009440 -0.005586 0.015026 1.857049 2.113060 0.161492 0.191720 1.488632 0.163931 1.969455 -0.000254 26 H 47.691715 36.779108 6.540110 0.121810 1.254084 0.91363847E+01 0.90730400E+02 1.788102 1.669362 -0.873721 2.468412 0.998908 3.218090 8.440544 0.539224 1.143821 -0.745116 -0.002083 -0.010196 -0.038172 0.039565 0.004607 0.002747 0.008568 0.023624 0.033190 -0.020253 0.005042 0.015211 1.855488 1.684651 0.003417 -0.150080 1.477574 0.256160 2.404238 -0.000001 27 H 45.696544 36.805672 7.752506 0.120256 1.270893 0.92797283E+01 0.92557199E+02 1.807527 1.685247 -0.857989 2.473723 0.999000 3.239173 8.527632 0.535067 1.147686 -0.744134 -0.033620 -0.010121 -0.019555 0.040189 0.005042 0.003756 0.008483 0.024750 0.027411 -0.019985 0.004731 0.015254 1.879973 2.414749 0.201816 0.210631 1.484728 0.129036 1.740442 -0.000001 28 H 59.666929 27.319898 7.510027 0.132802 1.235019 0.93018391E+01 0.93479321E+02 1.813348 1.718582 -1.071604 2.382281 0.997393 3.329150 8.999258 0.511866 1.190701 -0.732222 0.010215 -0.006029 0.040319 0.042028 0.000717 0.003052 -0.005341 -0.003230 0.039876 -0.009348 -0.005715 0.015063 1.857846 1.655383 0.193370 0.214174 1.678807 -0.065110 2.239348 0.000297 29 H 57.721950 24.081501 9.846025 0.121820 1.253786 0.91337504E+01 0.90697819E+02 1.787819 1.669121 -0.873621 2.468470 0.998909 3.217834 8.439610 0.539263 1.143820 -0.745115 0.025283 0.023592 0.019231 0.039569 0.013510 0.009039 -0.001084 -0.003672 0.027881 -0.020255 0.005045 0.015210 1.855180 1.853542 0.498158 0.199782 1.992266 0.133859 1.719732 -0.000002 30 H 56.747369 22.340350 11.058421 0.120259 1.271212 0.92824825E+01 0.92590796E+02 1.807808 1.685487 -0.857991 2.473724 0.999000 3.239193 8.527743 0.535038 1.147673 -0.744143 0.010123 -0.003445 0.038740 0.040189 0.012256 0.008859 -0.001705 -0.004062 0.033135 -0.019985 0.004731 0.015254 1.880270 1.533760 0.101552 0.139746 1.662899 -0.245481 2.444149 -0.000001 31 H 23.988071 16.187154 23.254104 0.132602 1.234491 0.92962399E+01 0.93406170E+02 1.812682 1.717954 -1.067733 2.384018 0.997417 3.328147 8.994847 0.512024 1.190549 -0.732268 -0.010244 0.036009 -0.019052 0.042007 -0.003202 0.000259 -0.009856 -0.016197 0.001057 -0.009443 -0.005587 0.015030 1.857159 1.654718 -0.266253 -0.110742 2.135466 -0.226811 1.781293 -0.000255 32 H 25.933050 17.310088 19.422249 0.121809 1.254290 0.91382885E+01 0.90754841E+02 1.788396 1.669618 -0.873720 2.468412 0.998908 3.218173 8.441265 0.539139 1.143933 -0.745091 -0.025279 0.025995 0.015830 0.039565 -0.013027 -0.009723 -0.004649 -0.013758 -0.002356 -0.020258 0.005044 0.015214 1.855805 1.854153 -0.354593 -0.403281 1.834773 0.189845 1.878488 -0.000002 33 H 26.907631 17.872763 17.376543 0.120256 1.271409 0.92842956E+01 0.92614146E+02 1.808084 1.685725 -0.857998 2.473719 0.999000 3.239289 8.528462 0.534961 1.147772 -0.744120 -0.010122 0.035377 -0.016161 0.040189 -0.012440 -0.008605 -0.005895 -0.015915 -0.002409 -0.019989 0.004733 0.015256 1.880577 1.533971 -0.165645 -0.049176 2.203441 -0.436576 1.904318 -0.000001 34 H 32.186261 16.245112 33.335778 0.132530 1.234821 0.92996765E+01 0.93450022E+02 1.812999 1.718265 -1.068104 2.383774 0.997412 3.329082 8.998039 0.511978 1.190539 -0.732264 0.036339 -0.020937 -0.002251 0.041999 -0.006778 -0.002281 0.001235 0.015187 -0.027456 -0.009455 -0.005573 0.015028 1.857473 2.113483 -0.234546 -0.088375 2.019600 -0.023633 1.439335 -0.000236 35 H 35.963285 18.425777 32.495638 0.121806 1.254191 0.91374096E+01 0.90743346E+02 1.788224 1.669474 -0.873797 2.468370 0.998908 3.218209 8.441053 0.539196 1.143846 -0.745110 0.002077 -0.039384 0.003113 0.039561 -0.004123 -0.003430 -0.002265 -0.007008 -0.058717 -0.020254 0.005045 0.015209 1.855617 1.684777 0.140388 -0.053256 2.462455 -0.091994 1.419617 -0.000002 36 H 37.958456 19.577690 32.116551 0.120241 1.271441 0.92845636E+01 0.92617089E+02 1.808056 1.685701 -0.858091 2.473661 0.998999 3.239464 8.528815 0.534990 1.147706 -0.744134 0.033618 -0.021809 -0.003024 0.040186 -0.005221 -0.003501 -0.001600 -0.003767 -0.058137 -0.019987 0.004732 0.015254 1.880548 2.415587 -0.265967 -0.120126 1.793661 0.020006 1.432394 -0.000001 37 H 35.653761 7.114330 7.510027 0.132801 1.235195 0.93035181E+01 0.93500934E+02 1.813587 1.718792 -1.071593 2.382287 0.997393 3.329230 8.999866 0.511807 1.190778 -0.732207 -0.010329 -0.005835 0.040318 0.042027 -0.001760 -0.006152 0.000027 0.000369 0.039877 -0.009351 -0.005712 0.015063 1.858098 1.505658 -0.106850 -0.163510 1.828950 -0.152968 2.239687 -0.000248 38 H 33.821716 10.417930 9.846025 0.121828 1.254001 0.91356397E+01 0.90721315E+02 1.788068 1.669334 -0.873584 2.468494 0.998910 3.217799 8.439752 0.539209 1.143876 -0.745106 0.007791 -0.033694 0.019230 0.039570 -0.008348 -0.005459 -0.007286 -0.021568 0.027880 -0.020259 0.005048 0.015211 1.855447 1.526353 -0.309222 0.016039 2.320022 -0.240008 1.719965 -0.000001 39 H 32.801125 12.132517 11.058421 0.120257 1.271400 0.92842070E+01 0.92612984E+02 1.808071 1.685713 -0.857989 2.473724 0.999000 3.239271 8.528384 0.534965 1.147767 -0.744122 -0.008044 -0.007046 0.038740 0.040189 -0.007890 -0.005908 -0.006821 -0.019202 0.033138 -0.019989 0.004733 0.015256 1.880551 1.542868 -0.106719 -0.282535 1.654218 0.001714 2.444568 -0.000000 40 H 48.001239 9.451965 4.204113 0.132538 1.234714 0.92986421E+01 0.93436862E+02 1.812885 1.718163 -1.068009 2.383828 0.997413 3.328908 8.997383 0.511997 1.190530 -0.732267 0.010285 0.036023 -0.018990 0.042001 0.006395 -0.000313 -0.006322 -0.017570 -0.013427 -0.009456 -0.005573 0.015028 1.857352 1.505134 0.189659 0.046160 2.097078 -0.247969 1.969843 -0.000236 41 H 49.833283 12.755564 6.540110 0.121813 1.254103 0.91365972E+01 0.90733090E+02 1.788127 1.669389 -0.873748 2.468400 0.998908 3.218090 8.440587 0.539216 1.143831 -0.745114 -0.007790 0.006895 -0.038171 0.039563 0.007926 0.006047 -0.006659 -0.019793 0.033188 -0.020253 0.005045 0.015208 1.855511 1.526408 0.087964 0.296886 1.635866 0.001905 2.404258 -0.000002 42 H 50.853874 14.470152 7.752506 0.120242 1.271425 0.92844146E+01 0.92615166E+02 1.808037 1.685683 -0.858079 2.473668 0.998999 3.239440 8.528712 0.534995 1.147701 -0.744136 0.008043 0.034174 -0.019555 0.040187 0.008197 0.005469 -0.007494 -0.021106 0.027419 -0.019986 0.004732 0.015255 1.880524 1.542851 0.301946 0.006441 2.357795 -0.247032 1.740927 -0.000001 43 H 39.803049 36.450679 33.335778 0.132598 1.234451 0.92958552E+01 0.93401156E+02 1.812614 1.717895 -1.067779 2.383991 0.997416 3.328179 8.994821 0.512045 1.190516 -0.732275 -0.036306 -0.021007 -0.002259 0.042006 0.009973 0.002215 0.001349 0.004152 -0.027405 -0.009440 -0.005588 0.015028 1.857087 2.245756 0.157987 0.023732 1.886457 0.088320 1.439049 -0.000255 44 H 39.803049 32.089349 32.495638 0.121803 1.254149 0.91369755E+01 0.90737839E+02 1.788171 1.669423 -0.873753 2.468391 0.998908 3.218178 8.440880 0.539211 1.143830 -0.745114 -0.035152 0.017888 0.003111 0.039564 -0.000973 -0.000246 0.004100 0.010652 -0.058720 -0.020254 0.005042 0.015212 1.855565 2.146408 -0.406927 -0.053040 2.000707 0.092113 1.419580 -0.000002 45 H 39.803049 29.785523 32.116551 0.120260 1.270879 0.92796037E+01 0.92555695E+02 1.807517 1.685239 -0.857986 2.473727 0.999000 3.239153 8.527582 0.535066 1.147691 -0.744133 -0.035698 -0.018212 -0.003025 0.040189 0.000981 0.000366 0.003831 0.010926 -0.058132 -0.019985 0.004731 0.015254 1.879966 2.178758 0.402092 0.077351 2.029107 0.093981 1.432032 -0.000001 46 H 43.851951 43.579499 23.254104 0.132859 1.234705 0.92985675E+01 0.93437483E+02 1.813010 1.718253 -1.071374 2.382442 0.997397 3.328460 8.996728 0.511931 1.190665 -0.732234 0.036290 -0.009156 -0.019126 0.042031 -0.005445 -0.008760 0.004646 0.013461 0.001079 -0.009332 -0.005728 0.015061 1.857511 2.246291 -0.075018 -0.141019 1.544589 0.209395 1.781655 0.000279 47 H 43.851951 41.333631 19.422249 0.121821 1.253760 0.91334755E+01 0.90694201E+02 1.787780 1.669084 -0.873578 2.468492 0.998910 3.217776 8.439354 0.539276 1.143804 -0.745119 0.035159 0.008898 0.015828 0.039571 0.000559 0.000837 0.010743 0.029437 -0.002361 -0.020254 0.005042 0.015212 1.855140 2.145891 0.185599 0.365871 1.541730 0.254181 1.877799 -0.000000 48 H 43.851951 40.208282 17.376543 0.120271 1.271087 0.92813494E+01 0.92576427E+02 1.807671 1.685371 -0.857924 2.473766 0.999001 3.239019 8.527071 0.535064 1.147654 -0.744148 0.035699 -0.008922 -0.016163 0.040190 -0.000671 -0.000805 0.010396 0.029498 -0.002413 -0.019984 0.004730 0.015254 1.880120 2.178974 -0.206984 -0.353358 1.557551 0.260763 1.903836 -0.000001 49 H 53.493190 19.751564 33.335778 0.132538 1.234674 0.92982502E+01 0.93431620E+02 1.812820 1.718106 -1.068007 2.383828 0.997413 3.328840 8.997036 0.512016 1.190502 -0.732274 -0.000036 0.041941 -0.002257 0.042001 -0.003186 0.000069 -0.002593 -0.019337 -0.027458 -0.009456 -0.005574 0.015030 1.857284 1.839751 0.076607 0.064643 2.292884 -0.064709 1.439216 -0.000236 50 H 49.716166 21.932229 32.495638 0.121808 1.254041 0.91361417E+01 0.90728311E+02 1.788127 1.669391 -0.873775 2.468383 0.998908 3.218183 8.441085 0.539190 1.143891 -0.745097 0.033070 0.021491 0.003111 0.039562 0.005096 0.003674 -0.001837 -0.003640 -0.058720 -0.020254 0.005044 0.015210 1.855511 2.389456 0.266523 0.106288 1.757523 -0.000124 1.419554 -0.000002 51 H 47.720995 23.084142 32.116551 0.120243 1.271372 0.92839378E+01 0.92609229E+02 1.807980 1.685635 -0.858078 2.473669 0.998999 3.239424 8.528618 0.535005 1.147693 -0.744137 0.002079 0.040019 -0.003024 0.040187 0.004241 0.003135 -0.002231 -0.007160 -0.058137 -0.019986 0.004732 0.015254 1.880465 1.718737 -0.136311 0.042734 2.490315 -0.114027 1.432343 -0.000001 52 H 57.642478 12.680702 23.254104 0.132802 1.235105 0.93026644E+01 0.93489997E+02 1.813471 1.718691 -1.071597 2.382287 0.997393 3.329180 8.999551 0.511834 1.190746 -0.732213 -0.026075 -0.026848 -0.019121 0.042028 0.008556 0.008414 0.005248 0.002685 0.001087 -0.009349 -0.005712 0.015061 1.857976 1.785379 0.341406 0.251904 2.006416 0.017344 1.782132 -0.000248 53 H 55.697499 13.803636 19.422249 0.121825 1.253819 0.91339451E+01 0.90699468E+02 1.787796 1.669097 -0.873599 2.468484 0.998909 3.217750 8.439143 0.539292 1.143763 -0.745131 -0.009872 -0.034894 0.015834 0.039570 0.012466 0.008886 -0.006100 -0.015684 -0.002351 -0.020255 0.005045 0.015209 1.855155 1.532047 0.168808 0.037193 2.155602 -0.443949 1.877816 -0.000001 54 H 54.722918 14.366311 17.376543 0.120260 1.270867 0.92794900E+01 0.92554191E+02 1.807500 1.685224 -0.857972 2.473735 0.999000 3.239128 8.527473 0.535071 1.147685 -0.744135 -0.025577 -0.026455 -0.016161 0.040190 0.013110 0.009406 -0.004504 -0.013585 -0.002416 -0.019985 0.004731 0.015255 1.879935 1.891971 0.372508 0.402442 1.844180 0.175603 1.903654 0.000000 55 H 30.161810 38.013128 7.510027 0.132532 1.234785 0.92993211E+01 0.93445464E+02 1.812957 1.718227 -1.068070 2.383793 0.997412 3.329022 8.997800 0.511986 1.190532 -0.732266 0.000037 0.011858 0.040290 0.041999 0.000996 0.003028 0.005336 0.003092 0.039819 -0.009456 -0.005572 0.015028 1.857428 1.839901 -0.086494 -0.050685 1.493494 0.217980 2.238890 -0.000236 56 H 33.938834 37.947925 9.846025 0.121809 1.254152 0.91370499E+01 0.90738801E+02 1.788180 1.669436 -0.873778 2.468382 0.998908 3.218157 8.440847 0.539205 1.143839 -0.745112 -0.033070 0.010099 0.019224 0.039562 -0.005165 -0.003579 0.008369 0.025230 0.027886 -0.020253 0.005045 0.015208 1.855569 2.389546 -0.189062 -0.215867 1.457064 0.106123 1.720098 -0.000002 57 H 35.934005 37.974489 11.058421 0.120241 1.271435 0.92845075E+01 0.92616346E+02 1.808048 1.685693 -0.858086 2.473664 0.998999 3.239455 8.528770 0.534993 1.147703 -0.744135 -0.002079 0.010489 0.038738 0.040186 -0.004371 -0.002954 0.008525 0.023264 0.033132 -0.019986 0.004732 0.015255 1.880538 1.718798 0.005146 0.142766 1.478273 0.243817 2.444542 -0.000001 58 H 26.012522 26.151081 4.204113 0.132863 1.234826 0.92997302E+01 0.93452599E+02 1.813196 1.718417 -1.071318 2.382475 0.997397 3.328461 8.997057 0.511878 1.190744 -0.732218 0.026075 -0.026982 -0.018941 0.042032 -0.010776 -0.005262 0.003498 -0.002289 -0.013875 -0.009336 -0.005725 0.015061 1.857707 1.785162 -0.351292 -0.237923 1.817713 0.084042 1.970248 0.000278 59 H 27.957501 22.912684 6.540110 0.121825 1.253995 0.91355411E+01 0.90719902E+02 1.788049 1.669314 -0.873544 2.468513 0.998910 3.217770 8.439598 0.539218 1.143861 -0.745110 0.009875 0.003292 -0.038178 0.039572 -0.012535 -0.008794 -0.001909 -0.003836 0.033204 -0.020258 0.005045 0.015214 1.855431 1.532242 -0.091358 -0.146796 1.629859 -0.258057 2.404192 -0.000001 60 H 28.932082 21.171532 7.752506 0.120272 1.271246 0.92828049E+01 0.92595249E+02 1.807906 1.685572 -0.857907 2.473777 0.999001 3.239055 8.527567 0.534995 1.147749 -0.744127 0.025577 -0.024057 -0.019555 0.040191 -0.013240 -0.009225 -0.000988 -0.003648 0.027412 -0.019988 0.004732 0.015256 1.880375 1.892416 -0.503789 -0.217147 2.007904 0.117941 1.740804 -0.000001 61 H 26.012522 22.147156 29.947898 0.132541 1.234735 0.92988161E+01 0.93438893E+02 1.812907 1.718182 -1.067991 2.383839 0.997413 3.328820 8.997110 0.511993 1.190534 -0.732267 0.026055 0.026919 0.018990 0.042002 0.010805 0.005318 0.003432 -0.002293 -0.013431 -0.009455 -0.005574 0.015029 1.857375 1.784865 0.351157 0.237834 1.817391 0.084012 1.969868 -0.000236 62 H 27.957501 25.385553 27.611901 0.121813 1.254075 0.91363405E+01 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2.239301 0.000297 65 H 33.938833 10.350312 24.305986 0.121823 1.253751 0.91334280E+01 0.90693740E+02 1.787780 1.669087 -0.873602 2.468481 0.998909 3.217783 8.439412 0.539271 1.143814 -0.745117 -0.033074 -0.010099 -0.019232 0.039569 0.005164 0.003581 0.008369 0.025236 0.027880 -0.020255 0.005045 0.015210 1.855136 2.388938 0.189005 0.215813 1.456776 0.106085 1.719693 -0.000002 66 H 35.934005 10.323748 23.093590 0.120260 1.271192 0.92822975E+01 0.92588407E+02 1.807782 1.685465 -0.857982 2.473730 0.999000 3.239167 8.527625 0.535044 1.147665 -0.744144 -0.002078 -0.010489 -0.038741 0.040189 0.004369 0.002953 0.008525 0.023259 0.033135 -0.019985 0.004731 0.015254 1.880240 1.718531 -0.005142 -0.142713 1.478080 0.243761 2.444110 -0.000001 67 H 57.642478 35.617535 10.897907 0.132867 1.234801 0.92994892E+01 0.93449553E+02 1.813173 1.718397 -1.071300 2.382488 0.997397 3.328406 8.996872 0.511881 1.190746 -0.732218 -0.026076 0.026852 0.019125 0.042033 -0.008553 -0.008404 0.005261 0.002698 0.001079 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0.93447383E+02 1.812982 1.718250 -1.068078 2.383789 0.997412 3.329049 8.997944 0.511977 1.190546 -0.732263 -0.036338 0.020938 0.002255 0.041999 -0.006778 -0.002281 0.001236 0.015185 -0.027461 -0.009457 -0.005571 0.015028 1.857455 2.113460 -0.234535 -0.088374 2.019577 -0.023633 1.439327 -0.000236 107 H 47.691715 29.872460 1.656373 0.121806 1.254183 0.91373370E+01 0.90742416E+02 1.788214 1.669465 -0.873796 2.468370 0.998908 3.218202 8.441016 0.539199 1.143842 -0.745111 -0.002077 0.039384 -0.003112 0.039562 -0.004123 -0.003430 -0.002265 -0.007008 -0.058719 -0.020254 0.005045 0.015209 1.855606 1.684772 0.140388 -0.053256 2.462435 -0.091993 1.419612 -0.000002 108 H 45.696544 28.720547 2.035460 0.120242 1.271435 0.92845112E+01 0.92616446E+02 1.808053 1.685697 -0.858087 2.473664 0.998999 3.239455 8.528789 0.534990 1.147708 -0.744134 -0.033618 0.021809 0.003024 0.040186 -0.005221 -0.003501 -0.001600 -0.003767 -0.058137 -0.019986 0.004732 0.015254 1.880545 2.415586 -0.265962 -0.120126 1.793656 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0.92810828E+01 0.92574368E+02 1.807688 1.685386 -0.858070 2.473673 0.998999 3.239379 8.528427 0.535036 1.147708 -0.744129 0.035697 0.018209 0.003024 0.040187 0.000979 0.000366 0.003832 0.010927 -0.058137 -0.019987 0.004732 0.015255 1.880147 2.178979 0.402148 0.077361 2.029315 0.093995 1.432148 -0.000001 118 H 39.803049 4.718738 10.897907 0.132801 1.235010 0.93017536E+01 0.93478259E+02 1.813341 1.718575 -1.071590 2.382289 0.997393 3.329141 8.999228 0.511867 1.190703 -0.732222 -0.036289 0.009157 0.019120 0.042028 -0.005440 -0.008753 0.004661 0.013479 0.001085 -0.009349 -0.005713 0.015062 1.857839 2.246642 -0.074985 -0.140959 1.544872 0.209457 1.782002 -0.000248 119 H 39.803049 6.964606 14.729762 0.121825 1.253739 0.91333200E+01 0.90692402E+02 1.787769 1.669078 -0.873601 2.468483 0.998909 3.217768 8.439361 0.539272 1.143815 -0.745117 -0.035155 -0.008898 -0.015834 0.039569 0.000558 0.000838 0.010744 0.029435 -0.002353 -0.020255 0.005045 0.015210 1.855124 2.145859 0.185595 0.365859 1.541724 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0.91339982E+01 0.90699977E+02 1.787794 1.669097 -0.873591 2.468489 0.998910 3.217712 8.438997 0.539295 1.143757 -0.745133 0.033075 -0.010100 -0.019230 0.039570 -0.005166 -0.003580 0.008368 0.025236 0.027874 -0.020254 0.005045 0.015209 1.855151 2.388967 -0.189011 -0.215823 1.456784 0.106087 1.719703 -0.000001 129 H 47.720995 10.323748 23.093590 0.120257 1.271267 0.92829690E+01 0.92596837E+02 1.807864 1.685536 -0.857991 2.473723 0.999000 3.239213 8.527843 0.535028 1.147678 -0.744142 0.002079 -0.010489 -0.038740 0.040189 -0.004370 -0.002953 0.008524 0.023261 0.033135 -0.019985 0.004731 0.015254 1.880328 1.718607 0.005141 0.142719 1.478138 0.243779 2.444238 0.000000 130 H 57.642478 22.147156 29.947898 0.132538 1.234841 0.92998337E+01 0.93451976E+02 1.813046 1.718305 -1.067995 2.383835 0.997413 3.328899 8.997556 0.511960 1.190575 -0.732259 -0.026054 0.026920 0.018990 0.042001 -0.010808 -0.005319 0.003432 -0.002297 -0.013426 -0.009458 -0.005572 0.015031 1.857521 1.784999 -0.351199 -0.237861 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30.191090 14.552259 33.772924 0.609813 23.553705 0.24805051E+03 0.51177151E+04 7.705474 5.605862 -0.027312 2.056911 0.999580 21.882515 60.827811 0.624876 0.475090 -1.019773 0.001945 -0.054803 0.000879 0.054844 -0.001755 -0.001604 0.024408 0.066762 0.350392 -0.094633 -0.025005 0.119638 10.468414 7.188463 -0.081314 -0.120250 19.338068 -1.388296 4.878710 -0.002358 233 C 30.173940 16.033324 33.631193 -0.013614 41.797284 0.41113001E+03 0.94321109E+04 10.378108 6.651667 0.070866 2.031833 0.999253 26.522015 72.782075 0.661551 0.403565 -1.083890 -0.000326 0.037823 -0.004421 0.038082 0.004285 0.002874 0.001813 0.026175 -0.008389 -0.012563 -0.003135 0.015698 15.517332 12.792339 -0.063011 -1.171708 27.726219 -2.173009 6.033439 -0.012962 234 C 31.368952 16.721332 33.398959 -0.139513 38.006636 0.43597469E+03 0.10269664E+05 9.954785 7.013740 0.048257 1.989218 0.999547 29.521939 85.297668 0.614528 0.423126 -1.058647 -0.010505 -0.008590 0.003239 0.013952 -0.017771 0.005694 0.009811 0.043984 0.094780 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15.597189 -0.064799 781 O 54.556863 13.970989 33.847034 -0.527034 30.989528 0.46296004E+03 0.10731221E+05 7.868814 6.621000 0.387229 2.170473 0.999144 27.056675 70.055517 0.744159 0.355087 -1.141024 -0.017448 0.015676 -0.005176 0.024020 -0.045708 0.004753 0.007995 0.000448 0.149099 -0.071232 0.020687 0.050545 9.637997 7.198614 -2.568877 0.269421 15.667101 -0.878936 6.048277 -0.061783 782 O 52.330385 13.975095 33.810491 -0.549579 32.736197 0.49627492E+03 0.11696751E+05 8.159125 6.850787 0.347481 2.147341 0.999077 27.645292 72.011781 0.732780 0.354642 -1.142190 0.017524 0.012620 -0.010515 0.024019 0.055942 -0.005210 0.005369 0.010881 0.103485 -0.073969 0.034995 0.038974 9.935736 7.505497 2.744186 -0.125472 16.105855 -0.941752 6.195856 -0.064857 783 O 61.397332 15.679298 26.677160 -0.526943 30.978357 0.46277168E+03 0.10725693E+05 7.866710 6.619518 0.387988 2.170780 0.999145 27.052740 70.040046 0.744269 0.355073 -1.141043 -0.013278 0.002054 -0.019850 0.023970 -0.048433 0.002810 0.026585 0.053058 0.055866 -0.071189 0.020650 0.050539 9.634927 10.079692 2.957293 4.175499 8.321749 2.736049 10.503339 -0.061740 784 O 61.365125 16.979245 24.869494 -0.549573 32.733236 0.49622344E+03 0.11695193E+05 8.158502 6.850332 0.347599 2.147380 0.999077 27.644609 72.008105 0.732822 0.354631 -1.142203 -0.015845 -0.013506 0.011905 0.023984 -0.002374 -0.046485 -0.008007 -0.026906 -0.142952 -0.074031 0.035018 0.039013 9.935032 10.385950 5.044162 1.500553 12.488814 1.355201 6.930332 -0.064684 785 O 44.277337 40.262135 33.847034 -0.526723 30.986817 0.46278993E+03 0.10725927E+05 7.866722 6.618155 0.389904 2.171487 0.999136 27.051280 70.029361 0.744619 0.354912 -1.141203 -0.003418 -0.021682 -0.005082 0.022530 0.023863 -0.010425 0.000171 -0.082137 0.150719 -0.073445 0.022156 0.051289 9.636770 11.327554 4.953238 0.627267 11.538209 0.673058 6.044547 -0.054168 786 O 45.387020 38.331896 33.810491 -0.549009 32.730222 0.49612520E+03 0.11692040E+05 8.156668 6.848485 0.383890 2.159279 0.999157 27.641277 71.991662 0.733125 0.354510 -1.142325 -0.018313 0.009670 -0.010410 0.023179 -0.032721 -0.002410 -0.008046 0.095577 0.103905 -0.075873 0.035272 0.040601 9.933017 16.328237 2.353264 0.879012 7.278440 0.362662 6.192375 0.059640 787 O 39.377663 45.332001 26.677160 -0.526634 30.981380 0.46269779E+03 0.10723202E+05 7.865701 6.617444 0.390421 2.171705 0.999137 27.048441 70.018887 0.744671 0.354907 -1.141214 0.003394 -0.011984 -0.018688 0.022458 0.001891 -0.025955 -0.010661 -0.112738 0.058935 -0.073439 0.022129 0.051310 9.635316 11.326986 -2.242015 -4.459754 7.076737 2.249154 10.502227 0.057773 788 O 38.267980 44.654135 24.869494 -0.548971 32.726932 0.49607392E+03 0.11690500E+05 8.156038 6.848084 0.383915 2.159291 0.999158 27.640506 71.988024 0.733156 0.354506 -1.142332 0.018271 -0.006564 0.012632 0.023162 0.013184 0.030063 -0.037609 0.012005 -0.146949 -0.075898 0.035268 0.040630 9.932304 16.327345 -1.612725 -1.924865 6.540458 0.623172 6.929109 -0.055851 789 O 46.218133 4.086755 5.890197 -0.527027 30.989727 0.46296552E+03 0.10731397E+05 7.868895 6.621079 0.387233 2.170473 0.999144 27.056815 70.056417 0.744146 0.355091 -1.141019 0.009046 0.020542 0.008591 0.024033 -0.001515 -0.026392 0.038560 0.029392 -0.139661 -0.071218 0.020672 0.050546 9.638155 7.244791 3.285991 -0.551097 14.824089 -1.930859 6.845586 -0.061824 790 O 47.302720 4.750132 7.718354 -0.549568 32.736433 0.49627979E+03 0.11696888E+05 8.159182 6.850842 0.347526 2.147367 0.999076 27.644854 72.010575 0.732773 0.354644 -1.142189 -0.013682 0.010400 -0.016754 0.024001 -0.045492 -0.011105 -0.021708 0.050441 0.098528 -0.073984 0.035005 0.038978 9.935838 6.215474 0.688242 -0.298029 12.572665 -5.086235 11.019374 -0.064850 791 O 37.436867 6.915583 1.889631 -0.526948 30.981617 0.46282690E+03 0.10727326E+05 7.867390 6.620006 0.387829 2.170718 0.999145 27.053614 70.044161 0.744224 0.355083 -1.141032 -0.009003 0.014909 0.016472 0.023973 0.025388 -0.007361 0.047297 0.054116 -0.065428 -0.071191 0.020647 0.050544 9.635955 7.243031 -0.575321 -3.280486 6.517356 1.004319 15.147477 -0.061753 792 O 36.352280 8.860312 1.905682 -0.549550 32.732626 0.49621523E+03 0.11694960E+05 8.158443 6.850314 0.347587 2.147383 0.999077 27.644331 72.007449 0.732817 0.354635 -1.142199 0.013714 -0.012312 0.015325 0.023969 0.025633 0.039209 -0.040316 -0.002136 -0.059228 -0.074021 0.035013 0.039008 9.934989 6.214931 0.051491 -0.747813 7.995008 -3.468072 15.595029 -0.064735 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -13.887724 The total net atomic charge of the unit cell is -0.000007 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= 11963816 The rms potential error without charges in kcal/mol is= 2.66479 The rms potential error with partial charges in kcal/mol is= 0.71250 The RRMSE value at monopole order= 0.26738 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.71972 The RRMSE value at monopole order with cloud penetration is= 0.27009 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.32747 The RRMSE value at dipole order= 0.12289 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.32275 The RRMSE value at dipole order with cloud penetration= 0.12112 ****************************************************** 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.