520 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 16.021000 0.000000 0.000000 }, { -0.144446 19.246458 0.000000 }, { 0.000000 0.000000 22.482000 }] Cu 11.921557 19.168125 5.596219 0.284665 Cu 12.055805 9.605715 5.617577 0.266862 Cu 11.965497 0.078333 16.837219 0.284639 Cu 11.831249 9.640743 16.858577 0.266811 Cu 3.954997 0.078333 16.885781 0.284640 Cu 3.820749 9.640743 16.864423 0.266812 Cu 3.911057 19.168125 5.644781 0.284657 Cu 4.045305 9.605715 5.623423 0.266865 H 10.657352 13.210769 1.508542 0.003757 H 11.134380 14.544548 2.183002 0.115699 H 12.900150 12.802744 0.766636 0.095644 H 13.352988 14.157695 1.414118 0.094119 H 12.083295 15.335578 22.437036 0.073250 H 11.463521 14.022969 21.859249 0.067384 H 14.075979 14.738938 21.578224 0.046017 H 13.394949 13.476370 20.941983 0.093587 H 12.532846 16.061169 20.373188 0.070947 H 13.625958 15.356749 19.509880 0.089099 H 11.545625 15.250893 18.459970 0.102698 H 10.955494 14.471412 19.687487 0.093852 H 14.114158 11.786531 16.946932 0.089399 H 10.653202 12.055981 18.714017 0.034961 H 10.977805 10.004309 8.597117 0.054487 H 9.291696 11.164870 5.334979 0.059057 H 6.815684 11.694148 7.706830 0.111727 H 7.181897 12.209953 6.267982 0.098784 H 6.929910 13.978702 7.623646 0.104149 H 7.924558 13.372439 8.666811 0.092479 H 9.681092 13.715026 7.250445 0.090137 H 8.938822 15.062278 7.535966 0.074354 H 9.578032 14.852492 5.321489 0.093035 H 8.648590 13.601472 5.177605 0.080312 H 7.489637 16.034224 5.912766 0.086082 H 6.782584 14.823622 5.224817 0.109184 H 7.882126 15.397166 3.219422 0.102549 H 6.847091 16.474968 3.707282 0.110725 H 9.255807 17.441140 5.872298 0.078986 H 10.843076 18.776844 2.601167 0.054920 H 9.787563 2.090165 5.571040 0.082448 H 13.258561 2.403883 3.936598 0.039602 H 12.279717 5.600719 4.183900 0.105335 H 13.025651 4.832786 3.041815 0.094896 H 11.561395 6.318612 2.104315 0.084444 H 10.372323 5.720047 2.929405 0.080066 H 9.952739 4.417062 1.389388 0.087465 H 11.342052 3.737662 1.591726 0.075546 H 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10.935837 2.695592 0.030717 H 13.229702 6.035689 12.749542 0.003734 H 12.752674 4.701910 13.424002 0.115697 H 10.986904 6.443714 12.007636 0.095645 H 10.534066 5.088763 12.655118 0.094117 H 11.803759 3.910880 11.196036 0.073247 H 12.423533 5.223489 10.618249 0.067384 H 9.811075 4.507520 10.337224 0.046017 H 10.492105 5.770088 9.700983 0.093588 H 11.354208 3.185289 9.132188 0.070947 H 10.261096 3.889709 8.268880 0.089102 H 12.341429 3.995565 7.218970 0.102703 H 12.931560 4.775046 8.446487 0.093853 H 9.772896 7.459927 5.705932 0.089405 H 13.233852 7.190477 7.473017 0.034980 H 12.909249 9.242149 19.838117 0.054482 H 14.595358 8.081588 16.575979 0.059030 H 1.050370 7.552310 18.947830 0.111725 H 0.684157 7.036505 17.508982 0.098775 H 0.936144 5.267756 18.864646 0.104147 H -0.058504 5.874019 19.907811 0.092480 H 14.205962 5.531432 18.491445 0.090137 H 14.948232 4.184180 18.776966 0.074352 H 14.309022 4.393966 16.562489 0.093035 H 15.238464 5.644986 16.418605 0.080305 H 0.376417 3.212234 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0.102703 H 4.921060 4.775046 2.794513 0.093854 H 1.762396 7.459927 5.535068 0.089405 H 5.223352 7.190477 3.767983 0.034983 H 4.898749 9.242149 13.884883 0.054481 H 6.584858 8.081588 17.147021 0.059032 H 9.060870 7.552310 14.775170 0.111725 H 8.694657 7.036505 16.214018 0.098776 H 8.946644 5.267756 14.858354 0.104147 H 7.951996 5.874019 13.815189 0.092479 H 6.195462 5.531432 15.231555 0.090137 H 6.937732 4.184180 14.946034 0.074350 H 6.298522 4.393966 17.160511 0.093034 H 7.227964 5.644986 17.304395 0.080306 H 8.386917 3.212234 16.569234 0.086077 H 9.093970 4.422836 17.257183 0.109183 H 7.994428 3.849292 19.262578 0.102543 H 9.029463 2.771490 18.774718 0.110724 H 6.620747 1.805318 16.609702 0.078976 H 5.033478 0.469614 19.880833 0.054918 H 6.088991 17.156293 16.910960 0.082444 H 2.617993 16.842575 18.545402 0.039591 H 3.596837 13.645739 18.298100 0.105332 H 2.850903 14.413672 19.440185 0.094895 H 4.315159 12.927846 20.377685 0.084441 H 5.504231 13.526411 19.552595 0.080057 H 5.923815 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3.218008 2.189747 0.092339 H 6.377570 2.613669 1.393884 0.106235 H 8.418633 2.188322 0.285521 0.106084 H 8.932479 1.391519 1.533272 0.105185 H 7.156599 18.996254 1.187050 0.088847 H 6.723000 0.561997 -0.026978 0.089197 H 4.742167 8.331792 8.448736 0.091072 H 7.185438 8.963075 5.503594 0.040986 H 7.450594 6.293592 9.213124 0.101804 H 6.258426 6.961444 9.979760 0.105187 H 8.294562 7.406037 11.065640 0.109055 H 8.835606 8.108533 9.775174 0.103748 H 6.641546 9.067006 11.227511 0.083839 H 7.289757 9.792598 9.999994 0.081277 H 4.353408 12.741155 5.173108 0.077611 H 3.684463 10.935837 8.545408 0.030716 C 11.405487 13.643814 1.951438 -0.105356 C 12.614624 13.703478 0.980215 -0.197594 C 12.276086 14.409823 22.216712 -0.160622 C 13.242283 14.392501 21.220760 -0.155916 C 12.838909 15.198928 20.053944 -0.218768 C 11.757062 14.615760 19.161409 -0.112893 C 13.389097 12.121419 17.423550 0.111328 C 11.496078 12.246521 18.370042 0.052378 C 10.372570 10.383464 7.999096 0.133358 C 9.475621 10.993577 6.229762 0.075865 C 7.498031 12.140666 7.182999 -0.104443 C 7.741297 13.455199 7.718071 -0.204158 C 8.858750 14.203886 7.088575 -0.172974 C 8.749546 14.452165 5.629493 -0.186396 C 7.592450 15.356749 5.227065 -0.202117 C 7.691415 16.045772 3.916364 -0.101241 C 9.448477 17.598961 4.975267 0.070529 C 10.295435 18.313005 3.192444 0.124788 C 10.518812 2.425054 5.105662 0.115495 C 12.392185 2.569402 4.231112 0.049456 C 12.164413 4.954038 3.471221 -0.113717 C 11.200667 5.498713 2.475268 -0.200863 C 10.907965 4.580657 1.389388 -0.166290 C 11.257783 4.932867 0.141637 -0.141105 C 10.858996 4.061003 21.438835 -0.201915 C 12.160811 3.939750 20.728404 -0.094141 C 11.696221 3.083283 17.362849 0.123608 C 12.031326 1.980461 19.145671 0.041397 C 13.524661 1.316458 7.772027 0.030586 C 14.908966 0.664003 6.348917 0.122323 C 15.174789 2.388485 9.327782 -0.122977 C 0.132056 1.616702 10.222565 -0.195096 C 15.545795 0.344512 10.784615 -0.183995 C 13.508844 8.333716 3.334081 0.045473 C 14.852022 8.678228 4.921310 0.118962 C 15.060593 7.144285 1.789567 -0.124018 C 0.026944 7.937239 0.941996 -0.193899 C 15.491878 9.236375 0.469874 -0.180896 C 12.172725 12.598731 5.168612 0.094506 C 11.808650 11.584443 3.352066 0.017149 C 12.481567 5.602644 13.192438 -0.105352 C 11.272430 5.542980 12.221215 -0.197596 C 11.610968 4.836635 10.975712 -0.160622 C 10.644771 4.853957 9.979760 -0.155916 C 11.048145 4.047530 8.812944 -0.218765 C 12.129992 4.630698 7.920409 -0.112892 C 10.497957 7.125039 6.182550 0.111331 C 12.390976 6.999937 7.129042 0.052395 C 13.514484 8.862994 19.240096 0.133357 C 14.411433 8.252881 17.470762 0.075855 C 0.368023 7.105792 18.423999 -0.104442 C 0.124757 5.791259 18.959071 -0.204159 C 15.028304 5.042572 18.329575 -0.172972 C 15.137508 4.794293 16.870493 -0.186395 C 0.273604 3.889709 16.468065 -0.202119 C 0.174639 3.200686 15.157364 -0.101241 C 14.438577 1.647497 16.216267 0.070505 C 13.591619 0.933453 14.433444 0.124784 C 13.368242 16.821404 16.346662 0.115493 C 11.494869 16.677056 15.472112 0.049446 C 11.722641 14.292420 14.712221 -0.113718 C 12.686387 13.747745 13.716268 -0.200870 C 12.979089 14.665801 12.630388 -0.166291 C 12.629271 14.313591 11.382637 -0.141105 C 13.028058 15.185455 10.197835 -0.201913 C 11.726243 15.306708 9.487404 -0.094139 C 12.190833 16.163175 6.121849 0.123616 C 11.855728 17.265997 7.904671 0.041427 C 10.362393 17.930000 19.013027 0.030520 C 8.978088 18.582455 17.589917 0.122318 C 8.712265 16.857973 20.568782 -0.122977 C 7.733998 17.629756 21.463565 -0.195099 C 8.341259 18.901946 22.025615 -0.183995 C 10.378210 10.912742 14.575081 0.045425 C 9.035032 10.568230 16.162310 0.118955 C 8.826461 12.102173 13.030567 -0.124020 C 7.839110 11.309219 12.182996 -0.193901 C 8.395176 10.010083 11.710874 -0.180898 C 11.714329 6.647727 16.409612 0.094497 C 12.078404 7.662015 14.593066 0.017081 C 4.471067 5.602644 20.530562 -0.105353 C 3.261930 5.542980 21.501785 -0.197596 C 3.600468 4.836635 0.265288 -0.160623 C 2.634271 4.853957 1.261240 -0.155916 C 3.037645 4.047530 2.428056 -0.218765 C 4.119492 4.630698 3.320591 -0.112893 C 2.487457 7.125039 5.058450 0.111331 C 4.380476 6.999937 4.111958 0.052395 C 5.503984 8.862994 14.482904 0.133356 C 6.400933 8.252881 16.252238 0.075854 C 8.378523 7.105792 15.299001 -0.104442 C 8.135257 5.791259 14.763929 -0.204159 C 7.017804 5.042572 15.393425 -0.172971 C 7.127008 4.794293 16.852507 -0.186395 C 8.284104 3.889709 17.254935 -0.202118 C 8.185139 3.200686 18.565636 -0.101241 C 6.428077 1.647497 17.506733 0.070505 C 5.581119 0.933453 19.289556 0.124783 C 5.357742 16.821404 17.376338 0.115493 C 3.484369 16.677056 18.250888 0.049444 C 3.712141 14.292420 19.010779 -0.113718 C 4.675887 13.747745 20.006732 -0.200869 C 4.968589 14.665801 21.092612 -0.166291 C 4.618771 14.313591 22.340363 -0.141105 C 5.017558 15.185455 1.043165 -0.201913 C 3.715743 15.306708 1.753596 -0.094141 C 4.180333 16.163175 5.119151 0.123616 C 3.845228 17.265997 3.336329 0.041426 C 2.351893 17.930000 14.709973 0.030524 C 0.967588 18.582455 16.133083 0.122316 C 0.701765 16.857973 13.154218 -0.122978 C 15.744498 17.629756 12.259435 -0.195099 C 0.330759 18.901946 11.697385 -0.183995 C 2.367710 10.912742 19.147919 0.045422 C 1.024532 10.568230 17.560690 0.118956 C 0.815961 12.102173 20.692433 -0.124019 C 15.849610 11.309219 21.540004 -0.193901 C 0.384676 10.010083 22.012126 -0.180897 C 3.703829 6.647727 17.313388 0.094497 C 4.067904 7.662015 19.129934 0.017080 C 3.394987 13.643814 9.289562 -0.105355 C 4.604124 13.703478 10.260785 -0.197594 C 4.265586 14.409823 11.506288 -0.160622 C 5.231783 14.392501 12.502240 -0.155915 C 4.828409 15.198928 13.669056 -0.218768 C 3.746562 14.615760 14.561591 -0.112893 C 5.378597 12.121419 16.299450 0.111328 C 3.485578 12.246521 15.352958 0.052378 C 2.362070 10.383464 3.241904 0.133358 C 1.465121 10.993577 5.011238 0.075865 C 15.508531 12.140666 4.058001 -0.104443 C 15.751797 13.455199 3.522929 -0.204158 C 0.848250 14.203886 4.152425 -0.172974 C 0.739046 14.452165 5.611507 -0.186396 C 15.602950 15.356749 6.013935 -0.202118 C 15.701915 16.045772 7.324636 -0.101241 C 1.437977 17.598961 6.265733 0.070527 C 2.284935 18.313005 8.048556 0.124787 C 2.508312 2.425054 6.135338 0.115494 C 4.381685 2.569402 7.009888 0.049456 C 4.153913 4.954038 7.769779 -0.113716 C 3.190167 5.498713 8.765732 -0.200863 C 2.897465 4.580657 9.851612 -0.166290 C 3.247283 4.932867 11.099363 -0.141104 C 2.848496 4.061003 12.284165 -0.201915 C 4.150311 3.939750 12.994596 -0.094141 C 3.685721 3.083283 16.360151 0.123608 C 4.020826 1.980461 14.577329 0.041395 C 5.514161 1.316458 3.468973 0.030580 C 6.898466 0.664003 4.892083 0.122324 C 7.164289 2.388485 1.913218 -0.122977 C 8.142556 1.616702 1.018435 -0.195096 C 7.535295 0.344512 0.456385 -0.183995 C 5.498344 8.333716 7.906919 0.045478 C 6.841522 8.678228 6.319690 0.118962 C 7.050093 7.144285 9.451433 -0.124019 C 8.037444 7.937239 10.299004 -0.193898 C 7.481378 9.236375 10.771126 -0.180896 C 4.162225 12.598731 6.072388 0.094507 C 3.798150 11.584443 7.888934 0.017151 N 12.071555 11.349636 4.613306 -0.296095 N 11.974694 13.582225 4.303055 -0.269411 N 11.731381 12.914373 3.158721 0.151946 N 13.375509 13.291604 17.996841 -0.255728 N 12.173443 13.357042 18.561139 0.164187 N 12.219843 11.443944 17.603406 -0.291705 N 10.534757 10.333423 6.679402 -0.290642 N 8.740717 11.359260 7.218970 0.160277 N 9.315382 10.997426 8.379041 -0.271306 N 10.435813 18.393840 4.534619 -0.296500 N 9.325635 17.529674 2.787768 -0.296853 N 8.792311 17.079307 3.970321 0.141016 N 11.639290 1.703312 4.903324 -0.282497 N 11.739734 3.689546 4.044512 0.162695 N 10.532199 3.629882 4.599817 -0.254578 N 11.994456 3.264199 19.408711 0.141560 N 11.806501 3.972469 18.271121 -0.268277 N 11.816314 1.811092 17.850708 -0.312046 N 13.593598 0.669777 6.638935 -0.281710 N 15.643402 1.214451 7.245949 -0.254001 N 14.760470 1.664819 8.147477 0.160956 N 13.575595 8.832200 4.552605 -0.290280 N 15.564628 8.081588 3.997300 -0.273760 N 14.665996 7.848706 3.014836 0.165703 N 11.815499 7.896822 15.854306 -0.296095 N 11.912360 5.664233 15.544055 -0.269451 N 12.155673 6.332085 14.399721 0.151912 N 10.511545 5.954854 6.755841 -0.255715 N 11.713611 5.889416 7.320139 0.164198 N 11.667211 7.802514 6.362406 -0.291709 N 13.352297 8.913035 17.920402 -0.290640 N 15.146337 7.887198 18.459970 0.160269 N 14.571672 8.249032 19.620041 -0.271312 N 13.451241 0.852618 15.775619 -0.296490 N 14.561419 1.716784 14.028768 -0.296876 N 15.094743 2.167151 15.211321 0.140997 N 12.247764 17.543146 16.144324 -0.282484 N 12.147320 15.556912 15.285512 0.162687 N 13.354855 15.616576 15.840817 -0.254594 N 11.892598 15.982259 8.167711 0.141575 N 12.080553 15.273989 7.030121 -0.268256 N 12.070740 17.435366 6.609708 -0.312054 N 10.293456 18.576681 17.879935 -0.281714 N 8.243652 18.032007 18.486949 -0.254038 N 9.126584 17.581639 19.388477 0.160920 N 10.311459 10.414258 15.793605 -0.290282 N 8.322426 11.164870 15.238300 -0.273796 N 9.221058 11.397752 14.255836 0.165675 N 3.804999 7.896822 17.868694 -0.296095 N 3.901860 5.664233 18.178945 -0.269451 N 4.145173 6.332085 19.323279 0.151912 N 2.501045 5.954854 4.485159 -0.255715 N 3.703111 5.889416 3.920861 0.164198 N 3.656711 7.802514 4.878594 -0.291709 N 5.341797 8.913035 15.802598 -0.290640 N 7.135837 7.887198 15.263030 0.160269 N 6.561172 8.249032 14.102959 -0.271312 N 5.440741 0.852618 17.947381 -0.296490 N 6.550919 1.716784 19.694232 -0.296877 N 7.084243 2.167151 18.511679 0.140996 N 4.237264 17.543146 17.578676 -0.282484 N 4.136820 15.556912 18.437488 0.162686 N 5.344355 15.616576 17.882183 -0.254595 N 3.882098 15.982259 3.073289 0.141574 N 4.070053 15.273989 4.210879 -0.268257 N 4.060240 17.435366 4.631292 -0.312052 N 2.282956 18.576681 15.843065 -0.281713 N 0.233152 18.032007 15.236051 -0.254037 N 1.116084 17.581639 14.334523 0.160922 N 2.300959 10.414258 17.929395 -0.290283 N 0.311926 11.164870 18.484700 -0.273798 N 1.210558 11.397752 19.467164 0.165674 N 4.061055 11.349636 6.627694 -0.296096 N 3.964194 13.582225 6.937945 -0.269410 N 3.720881 12.914373 8.082279 0.151946 N 5.365009 13.291604 15.726159 -0.255728 N 4.162943 13.357042 15.161861 0.164187 N 4.209343 11.443944 16.119594 -0.291705 N 2.524257 10.333423 4.561598 -0.290643 N 0.730217 11.359260 4.022030 0.160277 N 1.304882 10.997426 2.861959 -0.271307 N 2.425313 18.393840 6.706381 -0.296498 N 1.315135 17.529674 8.453232 -0.296852 N 0.781811 17.079307 7.270679 0.141015 N 3.628790 1.703312 6.337676 -0.282495 N 3.729234 3.689546 7.196488 0.162695 N 2.521699 3.629882 6.641183 -0.254578 N 3.983956 3.264199 14.314289 0.141558 N 3.796001 3.972469 15.451879 -0.268279 N 3.805814 1.811092 15.872292 -0.312046 N 5.583098 0.669777 4.602065 -0.281709 N 7.632902 1.214451 3.995051 -0.254003 N 6.749970 1.664819 3.093523 0.160952 N 5.565095 8.832200 6.688395 -0.290280 N 7.554128 8.081588 7.243700 -0.273757 N 6.655496 7.848706 8.226164 0.165706 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 11.921557 19.168125 5.596219 0.284665 144.554344 0.19772883E+04 0.64824538E+05 24.255284 16.268789 0.656093 2.014139 0.994996 55.270374 161.382125 0.372190 0.501963 -1.063600 -0.008250 0.000400 0.011669 0.014297 0.011975 0.076609 -0.013059 -0.049322 -0.109353 -0.101674 0.044976 0.056698 32.636964 30.412447 5.172335 14.779346 42.686498 -5.724283 24.811947 0.003645 2 Cu 12.055805 9.605715 5.617577 0.266862 151.020952 0.20836860E+04 0.69289886E+05 25.102956 16.783194 0.638725 2.002398 0.994927 56.223535 165.930133 0.363346 0.506930 -1.059819 -0.015745 -0.005013 -0.018185 0.024571 -0.030643 -0.085152 -0.024927 -0.057711 -0.131538 -0.121218 0.052522 0.068696 34.114620 32.775719 -6.170944 -15.602619 43.838916 -5.888514 25.729224 0.000885 3 Cu 11.965497 0.078333 16.837219 0.284639 144.560607 0.19773780E+04 0.64828388E+05 24.256212 16.269328 0.656002 2.014109 0.994996 55.271122 161.386860 0.372177 0.501974 -1.063592 0.008254 -0.000403 0.011676 0.014304 0.011986 -0.076632 0.013069 -0.049335 -0.109375 -0.101705 0.044989 0.056716 32.638385 30.413886 5.172730 -14.779903 42.688571 5.724548 24.812700 0.003621 4 Cu 11.831249 9.640743 16.858577 0.266811 151.032392 0.20838573E+04 0.69297338E+05 25.104614 16.784183 0.638579 2.002348 0.994927 56.225013 165.939182 0.363324 0.506948 -1.059805 0.015746 0.005015 -0.018189 0.024575 -0.030659 0.085189 0.024943 -0.057739 -0.131560 -0.121269 0.052548 0.068721 34.117100 32.778259 -6.171560 15.603554 43.842382 5.889202 25.730660 0.000894 5 Cu 3.954997 0.078333 16.885781 0.284640 144.560059 0.19773697E+04 0.64828041E+05 24.256142 16.269287 0.656005 2.014111 0.994996 55.271036 161.386440 0.372178 0.501973 -1.063592 0.008251 -0.000402 -0.011674 0.014301 0.011985 0.076632 -0.013068 -0.049338 -0.109372 -0.101705 0.044990 0.056715 32.638284 30.413766 5.172686 14.779841 42.688467 -5.724547 24.812619 0.003625 6 Cu 3.820749 9.640743 16.864423 0.266812 151.033067 0.20838668E+04 0.69297749E+05 25.104701 16.784232 0.638576 2.002347 0.994927 56.225108 165.939682 0.363323 0.506949 -1.059804 0.015747 0.005016 0.018190 0.024577 -0.030661 -0.085192 -0.024946 -0.057740 -0.131565 -0.121274 0.052551 0.068723 34.117228 32.778386 -6.171592 -15.603620 43.842541 -5.889219 25.730756 0.000884 7 Cu 3.911057 19.168125 5.644781 0.284657 144.555241 0.19773027E+04 0.64825153E+05 24.255420 16.268875 0.656077 2.014134 0.994996 55.270490 161.382844 0.372188 0.501965 -1.063599 -0.008252 0.000401 -0.011671 0.014300 0.011977 -0.076611 0.013061 -0.049321 -0.109357 -0.101677 0.044977 0.056700 32.637150 30.412637 5.172389 -14.779435 42.686729 5.724311 24.812084 0.003637 8 Cu 4.045305 9.605715 5.623423 0.266865 151.020132 0.20836735E+04 0.69289345E+05 25.102837 16.783122 0.638733 2.002401 0.994927 56.223432 165.929501 0.363348 0.506929 -1.059820 -0.015744 -0.005012 0.018183 0.024568 -0.030642 0.085149 0.024926 -0.057709 -0.131535 -0.121213 0.052520 0.068693 34.114454 32.775558 -6.170905 15.602538 43.838705 5.888485 25.729098 0.000913 9 H 10.657352 13.210769 1.508542 0.003757 10.185967 0.16313024E+03 0.36355784E+04 9.479064 8.817184 -2.452844 1.674273 0.980724 13.747792 71.954044 0.153784 1.787132 -0.610455 0.116215 0.102833 0.045274 0.161649 -0.401920 -0.199014 -0.213076 -0.049102 0.605635 -0.608164 0.286215 0.321949 9.691694 10.821730 0.624499 1.711808 6.946399 -1.115138 11.306954 0.002662 10 H 11.134380 14.544548 2.183002 0.115699 1.054596 0.82631001E+01 0.84120716E+02 1.920064 1.848321 -0.995400 2.407811 0.996440 3.865605 12.084483 0.388064 1.550397 -0.656921 -0.004200 0.032185 0.003720 0.032670 -0.010057 -0.008950 -0.001629 -0.015980 0.021137 -0.019307 0.007334 0.011974 1.947642 1.654818 -0.401803 -0.156714 2.380630 0.193408 1.807478 0.000005 11 H 12.900150 12.802744 0.766636 0.095644 1.126444 0.95236926E+01 0.10008071E+03 1.994729 1.977653 -0.832126 2.466615 0.998046 3.937724 12.354419 0.378473 1.540020 -0.660500 0.006536 -0.015588 -0.010244 0.019765 -0.017595 -0.012491 -0.010636 -0.005913 0.028468 -0.029491 0.013096 0.016394 1.995804 1.726206 -0.363098 -0.131964 2.352192 0.043451 1.909014 -0.000053 12 H 13.352988 14.157695 1.414118 0.094119 1.327973 0.11991043E+02 0.13749325E+03 2.512043 2.447530 -1.073806 2.356925 0.994826 4.643469 16.764372 0.285136 1.873399 -0.610563 0.006730 0.001570 0.006435 0.009443 -0.038677 0.003067 -0.002250 0.065447 0.119696 -0.070617 0.029391 0.041226 2.540053 2.777507 0.277848 0.645731 2.005668 0.124057 2.836984 0.001754 13 H 12.083295 15.335578 22.437036 0.073250 1.675020 0.16483186E+02 0.20920140E+03 3.187544 3.073803 -1.152913 2.307248 0.993839 5.564447 22.710191 0.224513 2.149523 -0.577098 -0.008729 -0.005146 -0.000895 0.010172 -0.081698 -0.027184 -0.030672 0.051328 0.189370 -0.126006 0.053347 0.072659 3.239090 2.487647 -0.694566 -0.273759 3.965908 0.167051 3.263716 0.002894 14 H 11.463521 14.022969 21.859249 0.067384 1.592955 0.15496292E+02 0.18954323E+03 2.812169 2.750726 -1.388629 2.195788 0.990528 5.340598 19.946180 0.273481 1.831042 -0.613762 0.014579 0.002185 -0.008097 0.016819 -0.065604 -0.010331 -0.008682 -0.017278 0.198683 -0.100377 0.033054 0.067322 2.819465 3.032077 0.301710 0.423989 2.182614 -0.009214 3.243706 0.000230 15 H 14.075979 14.738938 21.578224 0.046017 4.826465 0.60802178E+02 0.10836445E+04 6.498310 5.944450 -1.784538 2.007929 0.986197 9.631027 48.628773 0.157690 2.179393 -0.567579 -0.046881 -0.074063 -0.013413 0.088674 -0.233188 -0.061332 -0.120500 0.248315 0.509792 -0.382111 0.176080 0.206031 6.702136 8.993360 0.512895 1.584067 4.499824 -0.205758 6.613225 0.009067 16 H 13.394949 13.476370 20.941983 0.093587 1.033662 0.81935225E+01 0.82222240E+02 1.810638 1.770596 -0.858760 2.457342 0.997124 3.782616 11.279611 0.425391 1.434827 -0.678028 -0.003876 -0.023273 -0.008974 0.025242 -0.007209 -0.004767 0.001603 -0.008190 0.008642 -0.010598 0.001299 0.009300 1.828227 1.521635 -0.299502 -0.051255 2.207089 0.307237 1.755957 -0.000227 17 H 12.532846 16.061169 20.373188 0.070947 2.312381 0.22693500E+02 0.31920516E+03 4.239367 3.813818 -1.446549 2.171328 0.989894 7.103317 32.886542 0.181171 2.403531 -0.548520 -0.040755 -0.024250 -0.006975 0.047934 -0.141612 -0.063129 -0.092283 0.030535 0.169824 -0.215925 0.092989 0.122936 4.528333 3.673003 -1.603148 -0.076057 6.018051 0.185793 3.893944 0.005123 18 H 13.625958 15.356749 19.509880 0.089099 1.881477 0.18204974E+02 0.23668299E+03 3.405355 3.190579 -1.447779 2.171106 0.990285 5.903704 24.325413 0.224672 2.096913 -0.581131 0.004886 -0.026744 -0.024118 0.036343 -0.075108 -0.036267 -0.063558 0.054676 0.125688 -0.131533 0.056588 0.074945 3.506833 3.727890 0.126284 -1.022337 2.760095 -0.272698 4.032514 0.003027 19 H 11.545625 15.250893 18.459970 0.102698 1.129485 0.86606617E+01 0.87557629E+02 1.861130 1.774014 -1.068799 2.360666 0.994718 3.785960 11.095771 0.444600 1.362681 -0.691265 0.002101 0.024070 -0.024591 0.034475 -0.000084 0.002821 -0.004207 -0.009261 0.027883 -0.009729 -0.001531 0.011260 1.922934 1.501410 -0.271333 0.168345 2.099401 -0.527700 2.167992 -0.000301 20 H 10.955494 14.471412 19.687487 0.093852 1.276399 0.11005236E+02 0.12036637E+03 2.178973 2.134905 -1.099309 2.339529 0.994072 4.269557 13.837897 0.360588 1.553063 -0.656591 -0.010636 0.007150 0.018780 0.022736 -0.024871 0.012315 0.021179 -0.015174 0.020544 -0.040473 0.011127 0.029345 2.197319 2.416680 -0.142428 -0.423062 1.862126 0.076420 2.313150 0.000015 21 H 14.114158 11.786531 16.946932 0.089399 1.550928 0.11971006E+02 0.13458036E+03 2.537025 2.267049 -1.451881 2.189226 0.990508 4.516291 15.157528 0.338402 1.609987 -0.646509 0.037098 -0.014012 -0.011293 0.041233 0.004123 0.002627 -0.013386 0.004877 -0.139995 -0.049371 0.020923 0.028448 2.643581 3.346525 -0.731721 -0.521001 2.370557 0.230891 2.213660 0.000216 22 H 10.653202 12.055981 18.714017 0.034961 8.153993 0.10340970E+03 0.20579546E+04 8.281737 7.225536 -2.198342 1.803471 0.981818 10.849262 53.791545 0.162563 1.893259 -0.601259 0.034066 0.042816 -0.086218 0.102114 -0.152075 0.269853 0.234937 -0.073919 -0.323843 -0.462832 0.207166 0.255666 8.387445 11.954515 1.444756 -1.523091 6.783620 0.815348 6.424199 0.002301 23 H 10.977805 10.004309 8.597117 0.054487 3.732149 0.35765452E+02 0.54382371E+03 5.007853 4.278483 -1.775508 2.022154 0.984693 6.998860 29.967893 0.209877 1.919319 -0.601427 -0.029810 -0.021721 -0.001324 0.036908 -0.008389 -0.129867 0.012006 -0.257598 0.145334 -0.216660 0.093383 0.123277 5.186896 5.149652 -1.406493 1.528254 4.615839 -1.420396 5.795196 0.001195 24 H 9.291696 11.164870 5.334979 0.059057 2.979814 0.31162303E+02 0.45776547E+03 4.284470 3.942705 -1.915667 1.940614 0.985582 7.096234 29.860236 0.222896 1.870640 -0.605333 0.029851 0.025942 0.016172 0.042727 -0.026117 -0.128705 -0.071333 -0.027231 -0.417460 -0.221800 0.098778 0.123023 4.304534 3.567338 -0.175621 -0.135290 3.608804 -0.834059 5.737461 0.000896 25 H 6.815684 11.694148 7.706830 0.111727 0.996468 0.74438591E+01 0.72721775E+02 1.737038 1.661718 -0.995698 2.406298 0.995368 3.699934 10.785448 0.450704 1.391067 -0.685243 -0.025351 -0.007602 0.022682 0.034856 -0.000560 -0.006992 -0.004226 -0.001183 -0.015848 -0.010626 0.003401 0.007225 1.790130 2.061574 0.352473 -0.353261 1.723726 -0.261204 1.585091 -0.000115 26 H 7.181897 12.209953 6.267982 0.098784 1.294580 0.11684124E+02 0.13020656E+03 2.234934 2.225741 -1.238896 2.280071 0.992131 4.392961 14.549228 0.345689 1.589953 -0.650301 -0.012677 0.019843 -0.013558 0.027171 -0.008368 -0.000521 -0.019164 0.001958 -0.115542 -0.044512 0.014190 0.030321 2.231867 2.233777 -0.006465 0.356881 2.038986 -0.215416 2.422837 0.000102 27 H 6.929910 13.978702 7.623646 0.104149 1.173758 0.96265551E+01 0.10243380E+03 2.120473 2.041220 -1.073793 2.355800 0.994242 4.165020 13.577700 0.354645 1.623080 -0.645518 -0.016347 0.009104 -0.015333 0.024192 -0.000642 -0.002444 -0.021924 0.029222 -0.006511 -0.030582 0.013676 0.016906 2.165877 2.707493 -0.484951 -0.001569 2.028147 -0.198779 1.761991 0.000633 28 H 7.924558 13.372439 8.666811 0.092479 1.320124 0.11252409E+02 0.12334578E+03 2.203687 2.132972 -1.220942 2.283345 0.993562 4.280609 13.739796 0.368529 1.516198 -0.662738 0.010588 -0.011552 0.015386 0.021961 0.012685 -0.001499 -0.018134 0.031767 0.021399 -0.031300 0.008744 0.022556 2.234417 1.852301 -0.000413 0.058947 1.831818 -0.254866 3.019131 0.000820 29 H 9.681092 13.715026 7.250445 0.090137 1.064708 0.86422140E+01 0.87954095E+02 1.830235 1.802687 -1.263494 2.263811 0.992381 4.068309 12.246999 0.426803 1.410091 -0.680474 0.021083 -0.018965 0.001359 0.028390 -0.009678 0.001203 -0.005287 0.006120 0.003285 -0.011745 0.000409 0.011336 1.843986 2.172131 -0.305041 0.131870 1.859752 -0.111179 1.500075 -0.000125 30 H 8.938822 15.062278 7.535966 0.074354 1.874970 0.18911094E+02 0.24572562E+03 3.271503 3.156713 -1.341931 2.223318 0.990120 5.691098 22.684008 0.238554 1.975990 -0.595796 0.012658 -0.005698 -0.016918 0.021884 0.062035 0.041991 -0.094347 0.088303 -0.003782 -0.148019 0.068406 0.079613 3.293112 2.798119 0.590152 0.271927 4.180316 0.444536 2.900900 0.003240 31 H 9.578032 14.852492 5.321489 0.093035 1.062589 0.84604810E+01 0.85867703E+02 1.835251 1.790362 -1.354082 2.209473 0.991932 4.164625 12.624766 0.424770 1.420750 -0.677459 0.021274 0.014523 -0.003673 0.026019 0.004158 0.000352 -0.006168 0.005828 0.011211 -0.009450 0.001995 0.007454 1.866918 2.231803 0.337930 -0.242032 1.797887 -0.229142 1.571066 -0.000143 32 H 8.648590 13.601472 5.177605 0.080312 1.327601 0.11983681E+02 0.13446038E+03 2.284696 2.256298 -1.134625 2.318142 0.993430 4.502443 14.987506 0.342664 1.593066 -0.649656 -0.000229 -0.013274 0.007295 0.015148 -0.019512 -0.019728 -0.034923 0.004796 -0.061279 -0.055018 0.021347 0.033671 2.287425 1.873242 0.011347 -0.027944 3.051601 0.116976 1.937432 0.000189 33 H 7.489637 16.034224 5.912766 0.086082 1.488054 0.14898197E+02 0.17924280E+03 2.626721 2.654722 -1.345973 2.227038 0.991104 4.938040 17.896529 0.286987 1.773927 -0.622787 0.007509 0.003028 -0.002138 0.008374 0.003723 0.015465 -0.059863 0.022206 -0.132418 -0.084411 0.033417 0.050994 2.585815 2.328039 -0.075898 -0.040684 2.948105 0.153480 2.481300 0.001622 34 H 6.782584 14.823622 5.224817 0.109184 1.048614 0.81815288E+01 0.82621659E+02 1.871000 1.803069 -0.977077 2.405113 0.995412 3.895986 11.911375 0.407029 1.490121 -0.667178 -0.018404 -0.021070 0.001647 0.028024 0.007799 -0.000304 -0.017151 0.006792 -0.013546 -0.021039 0.003454 0.017585 1.914064 2.387008 0.431674 0.034751 1.852510 -0.209245 1.502673 -0.000011 35 H 7.882126 15.397166 3.219422 0.102549 1.358227 0.12013018E+02 0.13402087E+03 2.261439 2.215335 -1.205107 2.297280 0.993192 4.306781 14.002703 0.358367 1.531997 -0.660201 0.004855 -0.015427 -0.005777 0.017174 -0.005332 0.000216 -0.020182 0.052735 0.001512 -0.037706 0.010795 0.026911 2.248789 1.980410 -0.105138 -0.032537 2.260269 0.408106 2.505689 0.000118 36 H 6.847091 16.474968 3.707282 0.110725 0.980954 0.72232549E+01 0.70050352E+02 1.721551 1.639174 -0.934029 2.433992 0.996444 3.659635 10.635066 0.452773 1.394917 -0.684648 -0.034336 0.012985 -0.002073 0.036768 -0.004506 0.003754 -0.004147 0.006091 -0.025601 -0.010312 -0.000823 0.011134 1.777645 2.298850 -0.340845 0.257745 1.573116 -0.160492 1.460969 -0.000241 37 H 9.255807 17.441140 5.872298 0.078986 1.956526 0.18274361E+02 0.23532771E+03 3.319645 3.077810 -1.691334 2.062649 0.988057 5.771342 22.868997 0.244682 1.943894 -0.598494 0.011887 -0.025407 0.011620 0.030362 0.031341 0.067014 -0.069167 -0.003131 -0.240089 -0.141696 0.068649 0.073047 3.358475 2.815044 0.294138 -0.112901 3.026089 -0.746124 4.234293 0.002629 38 H 10.843076 18.776844 2.601167 0.054920 4.122144 0.40702698E+02 0.64292100E+03 5.465324 4.651215 -1.786222 2.019092 0.984557 7.397536 32.896718 0.194550 1.993155 -0.592358 -0.039328 0.025615 0.004421 0.047142 -0.000342 0.152090 0.015899 -0.299254 0.163983 -0.252456 0.111637 0.140819 5.696615 5.169785 1.541416 -1.429086 5.469162 -1.875448 6.450899 0.006583 39 H 9.787563 2.090165 5.571040 0.082448 1.626107 0.12696186E+02 0.14469339E+03 2.608768 2.327576 -1.459165 2.180767 0.990675 4.575911 15.409180 0.335865 1.600169 -0.648186 -0.034324 -0.013241 0.012323 0.038799 -0.007122 0.002431 0.015664 0.001741 -0.131470 -0.047632 0.017375 0.030257 2.715872 3.477294 0.754725 -0.553574 2.405894 -0.233249 2.264428 0.001247 40 H 13.258561 2.403883 3.936598 0.039602 6.948886 0.85024693E+02 0.16174633E+04 7.623786 6.664106 -2.069678 1.865334 0.983082 10.065813 49.410768 0.164379 1.958709 -0.593885 -0.017197 0.034857 0.086386 0.094727 0.129848 0.242044 -0.208650 -0.051868 -0.419922 -0.423065 0.201064 0.222001 7.738598 11.304808 -1.230712 -1.131934 6.273900 -0.811702 5.637087 0.010272 41 H 12.279717 5.600719 4.183900 0.105335 1.081395 0.82100712E+01 0.82093943E+02 1.826684 1.740758 -1.093417 2.355839 0.994169 3.760796 11.046157 0.442569 1.384079 -0.686959 -0.004118 0.026779 0.024526 0.036546 0.001895 0.002218 0.005020 -0.009404 0.020598 -0.008620 -0.001644 0.010264 1.887254 1.431856 0.185909 0.087550 2.057386 0.544144 2.172520 -0.000124 42 H 13.025651 4.832786 3.041815 0.094896 1.280037 0.11096615E+02 0.12141195E+03 2.173936 2.136128 -1.083996 2.352384 0.994067 4.212229 13.579649 0.363028 1.542039 -0.658872 0.013879 0.009149 -0.014057 0.021770 0.025159 0.016884 -0.026311 -0.002297 0.013657 -0.046008 0.016710 0.029297 2.186170 2.596039 0.188525 -0.393318 1.898267 -0.123499 2.064205 0.001406 43 H 11.561395 6.318612 2.104315 0.084444 1.508180 0.13183201E+02 0.15893364E+03 3.009065 2.768950 -1.249921 2.267108 0.992312 5.531110 22.322361 0.232954 2.180925 -0.572464 0.028235 -0.008150 -0.009946 0.031025 0.082683 -0.027955 0.034018 -0.003989 0.133641 -0.116859 0.053364 0.063494 3.175783 2.695117 1.075763 -0.158935 3.894292 -0.295338 2.937941 0.000436 44 H 10.372323 5.720047 2.929405 0.080066 2.246345 0.22983639E+02 0.31444275E+03 3.704225 3.483189 -1.549813 2.119547 0.988538 6.263997 25.854346 0.226160 1.979551 -0.593866 0.004062 -0.033560 0.026103 0.042709 0.093817 -0.047539 0.066738 0.036893 0.177784 -0.156266 0.064889 0.091377 3.810977 4.232781 -0.331318 -1.088544 3.045501 0.497760 4.154649 0.000723 45 H 9.952739 4.417062 1.389388 0.087465 1.197723 0.10110054E+02 0.11035005E+03 2.282559 2.196749 -0.846174 2.461526 0.996933 4.380941 15.100937 0.313508 1.789941 -0.621667 -0.012385 -0.004588 -0.003584 0.013685 0.043893 -0.008506 0.010074 0.015543 0.087901 -0.061147 0.029924 0.031224 2.331426 3.101958 0.508676 -0.058905 1.859938 0.046584 2.032384 0.000121 46 H 11.342052 3.737662 1.591726 0.075546 1.340032 0.12184064E+02 0.13759172E+03 2.324413 2.294071 -1.200127 2.281676 0.993883 4.594102 15.457238 0.334852 1.619767 -0.645480 0.008238 -0.001635 0.001721 0.008573 0.030880 0.007400 -0.006407 -0.010763 0.089702 -0.047533 0.016394 0.031139 2.324895 1.892360 -0.233294 0.259711 2.570425 -0.382265 2.511899 0.001458 47 H 10.905056 5.822054 -0.017986 0.018477 8.384371 0.12879027E+03 0.27263646E+04 8.742378 8.141944 -1.947474 1.915123 0.986130 12.063636 63.094487 0.149900 1.930209 -0.594247 0.072153 -0.103992 0.026579 0.129332 0.375409 -0.064772 0.088160 0.199812 0.797148 -0.536249 0.255398 0.280851 8.965806 5.840132 -0.912278 0.482816 10.579017 -0.253584 10.478269 0.002309 48 H 12.229666 5.011778 0.128147 0.074207 1.231224 0.10493139E+02 0.11438103E+03 2.198629 2.129257 -1.168342 2.299694 0.994090 4.464755 14.855776 0.346797 1.620249 -0.644140 0.012882 -0.005286 0.005105 0.014830 0.025059 -0.005455 0.011196 -0.003469 0.086041 -0.041399 0.009855 0.031544 2.240311 2.683037 0.181941 -0.232194 1.697702 0.245000 2.340193 0.000774 49 H 10.189258 4.495973 20.888026 0.092053 1.651133 0.15260232E+02 0.18595505E+03 2.892618 2.745122 -1.218242 2.287271 0.993191 5.122921 19.101984 0.271435 1.851797 -0.611989 0.004372 -0.008160 -0.011854 0.015040 0.062017 0.005361 0.007567 0.070819 0.158650 -0.097954 0.039642 0.058312 2.977529 3.230550 -0.277771 0.969128 2.265993 -0.167830 3.436045 0.000338 50 H 10.525836 3.196837 21.728853 0.104548 1.013624 0.79869872E+01 0.79629136E+02 1.792723 1.757313 -0.669086 2.545536 0.999470 3.667336 10.895551 0.423712 1.449927 -0.676345 -0.005051 -0.019640 0.012936 0.024054 0.010908 -0.006915 0.003382 -0.009373 0.009553 -0.016441 0.005963 0.010478 1.806663 1.645241 0.412146 -0.167976 2.054126 -0.183320 1.720620 0.000156 51 H 12.779831 3.431643 21.276965 0.015863 9.072502 0.14575194E+03 0.31706158E+04 9.022905 8.504793 -2.374668 1.719955 0.981587 12.945629 67.812500 0.151298 1.860992 -0.601917 -0.112709 0.087548 -0.040069 0.148235 0.379783 -0.215074 0.199000 -0.080575 0.595817 -0.590062 0.282028 0.308034 9.194151 8.823665 -1.094010 1.076412 7.058941 0.879725 11.699849 0.014938 52 H 12.537083 4.823162 20.593512 0.113072 1.071922 0.84525780E+01 0.86666480E+02 1.957070 1.880573 -1.004027 2.403534 0.996383 3.901781 12.300325 0.380734 1.568999 -0.654000 0.005815 0.036591 -0.002000 0.037104 0.012877 -0.013005 0.005030 -0.013349 -0.010506 -0.022665 0.005971 0.016693 1.998516 1.789214 0.483265 -0.242128 2.301545 -0.084643 1.904788 -0.000051 53 H 11.550559 3.279596 16.465817 0.083582 1.663159 0.13092072E+02 0.14854274E+03 2.507515 2.256884 -1.573495 2.114239 0.991218 4.532313 14.637064 0.370017 1.458953 -0.671424 -0.003430 0.006029 -0.039407 0.040013 -0.012042 -0.008965 0.000124 -0.009665 0.023857 -0.019030 0.004557 0.014473 2.611049 2.095071 -0.137285 0.177044 2.241260 -0.632664 3.496816 0.000338 54 H 12.182202 1.302985 19.763926 0.031749 7.266695 0.89784981E+02 0.17518896E+04 8.065265 6.995725 -2.201718 1.797342 0.982271 11.362486 58.696028 0.153571 2.044057 -0.580728 -0.109293 0.009522 -0.043367 0.117968 0.186620 -0.286057 0.140505 -0.442975 0.104962 -0.496574 0.210429 0.286144 8.345256 5.012394 0.001171 0.095696 11.399533 -2.718037 8.623843 0.011912 55 H 12.743022 1.505073 8.239653 0.092329 1.426940 0.11272596E+02 0.12604145E+03 2.503163 2.269032 -1.403890 2.200780 0.992427 4.609163 15.918162 0.319837 1.712729 -0.630511 -0.030722 0.012406 0.006294 0.033725 -0.017734 0.029923 0.027937 -0.024163 -0.012704 -0.052632 0.017824 0.034808 2.593646 3.164324 -0.635223 -0.556750 2.424980 0.371725 2.191633 0.001818 56 H 15.254588 0.294471 5.568791 0.039815 4.698582 0.48717307E+02 0.80644968E+03 5.942793 5.084223 -1.862624 1.962088 0.985451 8.169174 37.426755 0.185958 1.989744 -0.591461 0.006548 -0.006772 0.045132 0.046104 -0.001293 0.052281 -0.045388 0.028079 -0.849984 -0.294253 0.131021 0.163233 6.175371 6.134186 -1.355024 -1.694662 5.329738 1.901289 7.062189 0.006453 57 H 15.594722 3.218008 9.051253 0.092339 1.493143 0.12700479E+02 0.14246485E+03 2.321726 2.209360 -1.195476 2.290222 0.993740 4.315816 13.686816 0.378856 1.441266 -0.676051 0.022883 0.008363 -0.011571 0.026971 0.009693 0.001499 -0.015338 0.052352 0.045044 -0.039732 0.018565 0.021168 2.352058 2.282198 0.514587 -0.044529 2.831538 -0.270016 1.942438 0.000040 58 H 14.388070 2.613669 9.847116 0.106235 1.041432 0.80531875E+01 0.80305434E+02 1.807833 1.744525 -0.814047 2.487347 0.998014 3.680594 10.869782 0.433422 1.417157 -0.681489 -0.021191 0.002465 0.025877 0.033538 -0.008543 0.000842 0.005553 0.022304 0.028449 -0.019834 0.008773 0.011061 1.838462 2.107672 -0.350688 -0.292531 1.615612 0.135640 1.792102 0.000011 59 H 0.408133 2.188322 10.955479 0.106084 1.069312 0.82176544E+01 0.81843178E+02 1.781869 1.718922 -0.817269 2.475459 0.997779 3.678807 10.636448 0.456117 1.348328 -0.694387 0.002510 0.007860 0.023949 0.025330 0.002806 0.007279 0.000456 -0.003630 0.016588 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0.825106 8.108533 1.465826 0.103748 1.067850 0.86540525E+01 0.87467018E+02 1.787965 1.769566 -0.966583 2.404158 0.995979 3.802788 11.140621 0.446618 1.356892 -0.692057 0.017792 0.013818 0.017095 0.028280 0.005810 0.008733 -0.004485 0.001813 -0.009069 -0.013126 0.003629 0.009497 1.789049 1.962006 0.056618 0.363566 1.579165 0.059177 1.825974 -0.000085 69 H 14.652046 9.067006 0.013489 0.083839 1.286252 0.11143324E+02 0.12032211E+03 2.055781 2.033040 -1.110394 2.329335 0.994375 4.114572 12.577409 0.407819 1.390940 -0.685795 -0.010507 -0.007962 -0.018885 0.023031 0.006394 0.008909 -0.008409 -0.026891 0.016899 -0.021914 0.005010 0.016904 2.050890 2.178483 0.241236 0.402852 1.802709 0.029207 2.171479 0.000090 70 H 15.300257 9.792598 1.241006 0.081277 1.183377 0.96039252E+01 0.99825777E+02 1.916502 1.861053 -1.334821 2.219933 0.992879 4.153609 12.420315 0.435725 1.352384 -0.691260 0.004468 0.014861 0.020231 0.025497 -0.006600 -0.005754 0.000860 -0.023775 0.025091 -0.018840 0.007188 0.011652 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0.553591 2.405954 0.233258 2.264472 0.001247 104 H 10.628493 16.842575 15.177598 0.039588 6.949864 0.85039802E+02 0.16178189E+04 7.624331 6.664574 -2.069770 1.865278 0.983081 10.066809 49.416333 0.164378 1.958637 -0.593892 0.017208 -0.034864 0.086399 0.094744 0.129864 -0.242078 0.208677 -0.051884 -0.419952 -0.423120 0.201086 0.222034 7.739167 11.305641 -1.230819 1.131978 6.274417 0.811822 5.637444 0.010203 105 H 11.607337 13.645739 15.424900 0.105332 1.081406 0.82102025E+01 0.82095740E+02 1.826710 1.740782 -1.093437 2.355827 0.994168 3.760855 11.046432 0.442561 1.384096 -0.686955 0.004118 -0.026779 0.024526 0.036545 0.001896 -0.002217 -0.005020 -0.009403 0.020600 -0.008620 -0.001644 0.010264 1.887281 1.431873 0.185913 -0.087551 2.057422 -0.544156 2.172548 -0.000124 106 H 10.861403 14.413672 14.282815 0.094894 1.280085 0.11097212E+02 0.12142054E+03 2.174017 2.136205 -1.084071 2.352347 0.994066 4.212393 13.580450 0.363015 1.542068 -0.658867 -0.013877 -0.009150 -0.014056 0.021768 0.025163 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0.106086 1.069307 0.82176108E+01 0.81842626E+02 1.781864 1.718917 -0.817274 2.475458 0.997779 3.678792 10.636393 0.456117 1.348328 -0.694387 -0.002509 -0.007860 0.023949 0.025331 0.002806 -0.007279 -0.000456 -0.003630 0.016587 -0.009039 -0.000580 0.009619 1.816409 1.560371 0.236950 -0.271017 1.814049 -0.375978 2.074808 -0.000059 124 H 6.944075 17.854939 20.948728 0.105184 1.037340 0.83640138E+01 0.83893535E+02 1.762731 1.746845 -0.924982 2.425476 0.996466 3.760618 11.007417 0.446341 1.368124 -0.690012 -0.019149 0.013776 -0.016842 0.028985 -0.004489 0.009658 0.004689 0.000735 -0.011455 -0.013634 0.004155 0.009479 1.761702 1.915512 -0.099983 0.340342 1.566228 -0.080863 1.803364 -0.000014 125 H 8.719955 0.250204 21.294950 0.088844 1.129435 0.91271927E+01 0.93534000E+02 1.854923 1.814228 -1.143958 2.315046 0.994459 3.972301 11.738110 0.441973 1.352315 -0.692278 -0.004611 0.017447 -0.019877 0.026846 0.005618 -0.006194 -0.002951 -0.019749 0.023956 -0.016510 0.003837 0.012673 1.879637 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0.520996 2.370539 -0.230889 2.213646 0.000219 214 H 2.642702 12.055981 15.008983 0.034958 8.154219 0.10341334E+03 0.20580435E+04 8.281845 7.225630 -2.198359 1.803461 0.981817 10.849468 53.792658 0.162563 1.893242 -0.601261 0.034069 0.042818 0.086221 0.102118 -0.152079 -0.269861 -0.234943 -0.073922 -0.323847 -0.462845 0.207172 0.255673 8.387555 11.954669 1.444778 1.523099 6.783718 -0.815373 6.424279 0.002229 215 H 2.967305 10.004309 2.643883 0.054488 3.732095 0.35764800E+02 0.54381130E+03 5.007810 4.278448 -1.775495 2.022161 0.984693 6.998788 29.967511 0.209877 1.919323 -0.601427 -0.029808 -0.021721 0.001324 0.036906 -0.008389 0.129866 -0.012005 -0.257592 0.145326 -0.216655 0.093381 0.123274 5.186852 5.149609 -1.406478 -1.528242 4.615798 1.420383 5.795148 0.001260 216 H 1.281196 11.164870 5.906021 0.059055 2.979891 0.31163337E+02 0.45778464E+03 4.284541 3.942768 -1.915684 1.940604 0.985582 7.096370 29.860976 0.222894 1.870638 -0.605333 0.029852 0.025943 -0.016175 0.042730 -0.026118 0.128710 0.071335 -0.027233 -0.417478 -0.221809 0.098782 0.123028 4.304607 3.567399 -0.175625 0.135298 3.608864 0.834078 5.737560 0.000839 217 H 14.826184 11.694148 3.534170 0.111727 0.996472 0.74438974E+01 0.72722255E+02 1.737043 1.661723 -0.995704 2.406295 0.995368 3.699946 10.785497 0.450703 1.391068 -0.685243 -0.025351 -0.007602 -0.022682 0.034856 -0.000560 0.006992 0.004225 -0.001183 -0.015849 -0.010626 0.003401 0.007225 1.790136 2.061580 0.352475 0.353263 1.723731 0.261206 1.585097 -0.000117 218 H 15.192397 12.209953 4.973018 0.098783 1.294593 0.11684295E+02 0.13020905E+03 2.234956 2.225763 -1.238912 2.280062 0.992130 4.393005 14.549449 0.345685 1.589961 -0.650300 -0.012677 0.019843 0.013557 0.027171 -0.008369 0.000522 0.019165 0.001958 -0.115550 -0.044514 0.014192 0.030322 2.231889 2.233801 -0.006466 -0.356886 2.039006 0.215420 2.422861 0.000089 219 H 14.940410 13.978702 3.617354 0.104149 1.173754 0.96265146E+01 0.10243320E+03 2.120464 2.041212 -1.073786 2.355803 0.994242 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3.051635 -0.116976 1.937448 0.000175 225 H 15.500137 16.034224 5.328234 0.086083 1.488018 0.14897696E+02 0.17923513E+03 2.626674 2.654675 -1.345935 2.227056 0.991104 4.937948 17.896068 0.286990 1.773924 -0.622788 0.007508 0.003029 0.002136 0.008373 0.003722 -0.015463 0.059860 0.022204 -0.132411 -0.084406 0.033414 0.050991 2.585768 2.327998 -0.075896 0.040683 2.948049 -0.153480 2.481257 0.001629 226 H 14.793084 14.823622 6.016183 0.109184 1.048616 0.81815506E+01 0.82621958E+02 1.871004 1.803073 -0.977082 2.405111 0.995412 3.895995 11.911419 0.407028 1.490124 -0.667178 -0.018404 -0.021070 -0.001647 0.028024 0.007799 0.000304 0.017152 0.006792 -0.013546 -0.021040 0.003455 0.017585 1.914068 2.387014 0.431674 -0.034751 1.852513 0.209247 1.502677 -0.000015 227 H -0.128374 15.397166 8.021578 0.102549 1.358232 0.12013086E+02 0.13402190E+03 2.261449 2.215345 -1.205114 2.297276 0.993192 4.306802 14.002812 0.358365 1.532002 -0.660201 0.004855 -0.015426 0.005777 0.017173 -0.005332 -0.000216 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0.82100644E+01 0.82093870E+02 1.826685 1.740758 -1.093416 2.355839 0.994169 3.760796 11.046162 0.442568 1.384081 -0.686958 -0.004118 0.026779 -0.024526 0.036546 0.001895 -0.002218 -0.005020 -0.009404 0.020597 -0.008620 -0.001644 0.010264 1.887254 1.431856 0.185908 -0.087549 2.057387 -0.544145 2.172521 -0.000124 234 H 5.015151 4.832786 8.199185 0.094895 1.280056 0.11096846E+02 0.12141523E+03 2.173964 2.136156 -1.084021 2.352371 0.994066 4.212286 13.579919 0.363024 1.542046 -0.658871 0.013879 0.009149 0.014056 0.021769 0.025160 -0.016885 0.026312 -0.002298 0.013657 -0.046010 0.016711 0.029299 2.186200 2.596077 0.188530 0.393325 1.898292 0.123503 2.064232 0.001402 235 H 3.550895 6.318612 9.136685 0.084444 1.508189 0.13183305E+02 0.15893528E+03 3.009081 2.768964 -1.249929 2.267104 0.992311 5.531144 22.322556 0.232953 2.180929 -0.572464 0.028236 -0.008151 0.009945 0.031026 0.082685 0.027955 -0.034019 -0.003989 0.133644 -0.116861 0.053365 0.063495 3.175801 2.695131 1.075771 0.158936 3.894314 0.295340 2.937957 0.000413 236 H 2.361823 5.720047 8.311595 0.080065 2.246374 0.22984014E+02 0.31444929E+03 3.704259 3.483219 -1.549822 2.119542 0.988537 6.264062 25.854705 0.226159 1.979552 -0.593866 0.004063 -0.033561 -0.026103 0.042711 0.093820 0.047540 -0.066740 0.036893 0.177789 -0.156270 0.064891 0.091379 3.811014 4.232822 -0.331324 1.088558 3.045527 -0.497768 4.154691 0.000686 237 H 1.942239 4.417062 9.851612 0.087464 1.197727 0.10110110E+02 0.11035089E+03 2.282571 2.196759 -0.846180 2.461523 0.996932 4.380965 15.101068 0.313506 1.789948 -0.621666 -0.012385 -0.004588 0.003583 0.013685 0.043894 0.008506 -0.010074 0.015542 0.087903 -0.061149 0.029924 0.031225 2.331439 3.101978 0.508680 0.058906 1.859946 -0.046584 2.032393 0.000111 238 H 3.331552 3.737662 9.649274 0.075546 1.340044 0.12184210E+02 0.13759386E+03 2.324431 2.294087 -1.200148 2.281666 0.993883 4.594139 15.457418 0.334850 1.619771 -0.645480 0.008237 -0.001635 -0.001721 0.008573 0.030881 -0.007400 0.006407 -0.010764 0.089705 -0.047534 0.016394 0.031140 2.324913 1.892372 -0.233297 -0.259715 2.570445 0.382270 2.511920 0.001453 239 H 2.894556 5.822054 11.258986 0.018474 8.384577 0.12879421E+03 0.27264668E+04 8.742475 8.142031 -1.947490 1.915112 0.986130 12.063833 63.095585 0.149900 1.930192 -0.594249 0.072156 -0.103994 -0.026580 0.129336 0.375416 0.064775 -0.088163 0.199813 0.797161 -0.536260 0.255403 0.280856 8.965910 5.840194 -0.912288 -0.482822 10.579126 0.253576 10.478410 0.002218 240 H 4.219166 5.011778 11.112853 0.074206 1.231244 0.10493362E+02 0.11438420E+03 2.198659 2.129284 -1.168376 2.299678 0.994090 4.464822 14.856099 0.346793 1.620257 -0.644139 0.012880 -0.005286 -0.005105 0.014829 0.025061 0.005456 -0.011197 -0.003471 0.086046 -0.041402 0.009856 0.031546 2.240343 2.683077 0.181945 0.232199 1.697723 -0.245006 2.340229 0.000773 241 H 2.178758 4.495973 12.834974 0.092052 1.651156 0.15260509E+02 0.18595943E+03 2.892652 2.745152 -1.218256 2.287264 0.993191 5.122985 19.102331 0.271432 1.851805 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0.86666837E+02 1.957077 1.880580 -1.004033 2.403532 0.996383 3.901798 12.300417 0.380732 1.569006 -0.653999 0.005814 0.036591 0.002000 0.037104 0.012877 0.013006 -0.005030 -0.013350 -0.010506 -0.022666 0.005972 0.016694 1.998523 1.789221 0.483268 0.242129 2.301554 0.084642 1.904796 -0.000051 245 H 3.540059 3.279596 17.257183 0.083583 1.663152 0.13091997E+02 0.14854159E+03 2.507503 2.256874 -1.573488 2.114243 0.991218 4.532292 14.636957 0.370019 1.458948 -0.671425 -0.003431 0.006028 0.039407 0.040013 -0.012041 0.008964 -0.000125 -0.009665 0.023859 -0.019029 0.004556 0.014472 2.611036 2.095062 -0.137284 -0.177043 2.241249 0.632659 3.496798 0.000340 246 H 4.171702 1.302985 13.959074 0.031746 7.266812 0.89786785E+02 0.17519322E+04 8.065311 6.995765 -2.201738 1.797330 0.982270 11.362623 58.696712 0.153572 2.044039 -0.580730 -0.109298 0.009523 0.043367 0.117972 0.186626 0.286060 -0.140505 -0.442984 0.104979 -0.496582 0.210434 0.286148 8.345305 5.012419 0.001174 -0.095693 11.399613 2.718044 8.623882 0.011864 247 H 4.732522 1.505073 3.001347 0.092329 1.426929 0.11272494E+02 0.12603996E+03 2.503147 2.269019 -1.403877 2.200786 0.992427 4.609134 15.918016 0.319838 1.712725 -0.630512 -0.030723 0.012405 -0.006295 0.033726 -0.017733 -0.029922 -0.027937 -0.024159 -0.012705 -0.052631 0.017823 0.034807 2.593629 3.164301 -0.635216 0.556745 2.424964 -0.371721 2.191621 0.001824 248 H 7.244088 0.294471 5.672209 0.039812 4.698804 0.48720136E+02 0.80650782E+03 5.942943 5.084346 -1.862660 1.962068 0.985450 8.169419 37.428079 0.185957 1.989724 -0.591462 0.006547 -0.006771 -0.045137 0.046109 -0.001294 -0.052285 0.045391 0.028080 -0.850027 -0.294269 0.131028 0.163241 6.175531 6.134361 -1.355069 1.694709 5.329871 -1.901343 7.062360 0.006422 249 H 7.584222 3.218008 2.189747 0.092339 1.493135 0.12700396E+02 0.14246363E+03 2.321716 2.209350 -1.195468 2.290226 0.993740 4.315797 13.686723 0.378858 1.441262 -0.676052 0.022882 0.008363 0.011571 0.026971 0.009693 -0.001499 0.015337 0.052350 0.045044 -0.039731 0.018564 0.021167 2.352047 2.282187 0.514583 0.044529 2.831524 0.270014 1.942430 0.000048 250 H 6.377570 2.613669 1.393884 0.106235 1.041431 0.80531747E+01 0.80305243E+02 1.807829 1.744522 -0.814043 2.487349 0.998014 3.680586 10.869740 0.433424 1.417153 -0.681489 -0.021191 0.002465 -0.025878 0.033538 -0.008543 -0.000842 -0.005553 0.022304 0.028449 -0.019834 0.008773 0.011061 1.838458 2.107667 -0.350687 0.292531 1.615608 -0.135640 1.792098 0.000011 251 H 8.418633 2.188322 0.285521 0.106084 1.069313 0.82176663E+01 0.81843313E+02 1.781869 1.718922 -0.817269 2.475459 0.997779 3.678808 10.636446 0.456117 1.348327 -0.694388 0.002510 0.007860 -0.023949 0.025330 0.002806 -0.007279 -0.000456 -0.003630 0.016588 -0.009040 -0.000579 0.009619 1.816415 1.560375 0.236951 -0.271018 1.814055 -0.375981 2.074816 -0.000060 252 H 8.932479 1.391519 1.533272 0.105185 1.037339 0.83640103E+01 0.83893512E+02 1.762733 1.746846 -0.924987 2.425474 0.996465 3.760617 11.007424 0.446340 1.368126 -0.690012 0.019149 -0.013776 0.016842 0.028985 -0.004489 0.009658 0.004689 0.000735 -0.011456 -0.013634 0.004155 0.009479 1.761704 1.915514 -0.099983 0.340344 1.566229 -0.080863 1.803368 -0.000014 253 H 7.156599 18.996254 1.187050 0.088847 1.129421 0.91270390E+01 0.93531977E+02 1.854904 1.814211 -1.143937 2.315058 0.994459 3.972253 11.737918 0.441976 1.352312 -0.692279 0.004611 -0.017447 0.019877 0.026847 0.005618 -0.006194 -0.002951 -0.019747 0.023953 -0.016509 0.003836 0.012673 1.879618 1.485868 0.077996 -0.212573 1.870335 -0.365402 2.282653 -0.000067 254 H 6.723000 0.561997 -0.026978 0.089197 1.271376 0.10944766E+02 0.11804316E+03 2.070465 2.039612 -1.109925 2.335054 0.994123 4.111598 12.699426 0.398430 1.425345 -0.679337 -0.008339 0.008465 -0.020781 0.023938 -0.008163 0.009706 0.007188 -0.030548 0.035356 -0.026513 0.008482 0.018031 2.066923 2.198278 -0.278257 0.422865 1.813827 -0.060957 2.188664 0.000772 255 H 4.742167 8.331792 8.448736 0.091072 1.520353 0.12629777E+02 0.14545522E+03 2.621258 2.417152 -1.394686 2.205506 0.992683 4.715523 16.590524 0.306569 1.734777 -0.627773 -0.023820 0.001415 0.011134 0.026332 0.006267 0.031827 -0.021176 -0.046938 0.017089 -0.049933 0.010621 0.039312 2.657542 3.197027 0.209746 -0.629595 2.359543 -0.196481 2.416055 0.000345 256 H 7.185438 8.963075 5.503594 0.040986 4.570012 0.48522802E+02 0.80178935E+03 5.769692 5.013221 -2.004066 1.899202 0.983374 8.446878 38.564057 0.190841 1.942312 -0.595512 0.004142 -0.006605 0.049588 0.050197 -0.000402 0.062476 0.087010 0.057441 -0.830677 -0.303527 0.125222 0.178305 5.919561 5.929681 0.961577 -1.550839 4.650637 -1.200119 7.178365 0.001535 257 H 7.450594 6.293592 9.213124 0.101804 1.374458 0.11498773E+02 0.12605254E+03 2.218534 2.119194 -1.155224 2.320020 0.993992 4.172281 13.159749 0.381491 1.464608 -0.672095 0.026038 -0.012042 -0.008833 0.030017 -0.016220 0.004006 0.016478 0.047917 0.035475 -0.040340 0.017163 0.023177 2.245178 2.137639 -0.443473 -0.012580 2.748799 0.226609 1.849096 0.001132 258 H 6.258426 6.961444 9.979760 0.105187 1.070526 0.83808789E+01 0.84419407E+02 1.838356 1.777281 -0.881815 2.452256 0.997469 3.749858 11.134048 0.430229 1.413363 -0.681875 -0.018922 0.000579 0.025538 0.031790 0.006436 0.000126 -0.003122 0.024835 0.031006 -0.019469 0.008632 0.010837 1.868092 2.133342 0.345614 -0.299311 1.638378 -0.130811 1.832555 0.000229 259 H 8.294562 7.406037 11.065640 0.109055 0.997427 0.74838115E+01 0.72602655E+02 1.682279 1.625332 -0.676640 2.543543 0.999447 3.540569 10.008786 0.476962 1.323709 -0.699602 0.002911 -0.005979 0.024807 0.025683 -0.001220 0.007373 -0.000446 -0.005036 0.018063 -0.009213 -0.000485 0.009698 1.716909 1.434619 -0.173146 0.220143 1.679694 -0.354040 2.036415 -0.000011 260 H 8.835606 8.108533 9.775174 0.103748 1.067851 0.86540613E+01 0.87467130E+02 1.787966 1.769567 -0.966583 2.404157 0.995979 3.802791 11.140632 0.446618 1.356891 -0.692057 0.017792 0.013818 -0.017095 0.028280 0.005810 -0.008733 0.004485 0.001813 -0.009069 -0.013126 0.003629 0.009497 1.789049 1.962008 0.056619 -0.363566 1.579166 -0.059177 1.825974 -0.000086 261 H 6.641546 9.067006 11.227511 0.083839 1.286249 0.11143287E+02 0.12032161E+03 2.055777 2.033036 -1.110391 2.329336 0.994375 4.114566 12.577383 0.407819 1.390939 -0.685795 -0.010507 -0.007962 0.018885 0.023031 0.006394 -0.008909 0.008409 -0.026891 0.016899 -0.021914 0.005010 0.016904 2.050887 2.178480 0.241236 -0.402851 1.802706 -0.029206 2.171474 0.000085 262 H 7.289757 9.792598 9.999994 0.081277 1.183369 0.96038490E+01 0.99824775E+02 1.916494 1.861046 -1.334809 2.219939 0.992879 4.153590 12.420240 0.435726 1.352384 -0.691260 0.004468 0.014861 -0.020231 0.025497 -0.006600 0.005754 -0.000860 -0.023775 0.025090 -0.018839 0.007187 0.011652 1.957463 1.492353 -0.019876 0.167928 1.923660 -0.413560 2.456377 -0.000055 263 H 4.353408 12.741155 5.173108 0.077611 1.913341 0.15968154E+02 0.19135432E+03 2.805811 2.532780 -1.708987 2.046828 0.989956 4.902361 16.539679 0.339274 1.506508 -0.662728 -0.002198 0.006369 -0.034929 0.035573 0.019196 0.026993 -0.007107 -0.026361 0.011621 -0.041684 0.015416 0.026267 2.903690 2.313152 0.144581 -0.168667 2.478965 -0.612692 3.918952 0.000108 264 H 3.684463 10.935837 8.545408 0.030716 6.957291 0.84563543E+02 0.16223836E+04 7.769532 6.729317 -2.186094 1.801837 0.982942 11.172533 56.874505 0.158981 2.008122 -0.584421 0.109104 0.011430 -0.035825 0.115403 -0.202151 0.261697 0.136743 -0.425050 0.142536 -0.480779 0.201046 0.279733 8.046164 4.953775 -0.274212 0.006834 10.437296 -2.742795 8.747421 0.002074 265 C 11.405487 13.643814 1.951438 -0.105356 23.542066 0.31138033E+03 0.71593598E+04 7.922145 6.256785 -0.365727 1.893967 0.996914 32.451375 112.667198 0.565042 0.471458 -0.970459 0.097122 -0.004151 0.016459 0.098594 -0.149220 -0.081503 -0.105459 -0.087297 0.325135 -0.255464 0.085319 0.170146 9.262608 7.222700 -0.472856 -1.009954 7.278626 -3.003065 13.286498 0.000714 266 C 12.614624 13.703478 0.980215 -0.197594 28.267235 0.40740245E+03 0.96962316E+04 8.589018 6.889007 -0.037772 1.981654 0.998545 31.006288 98.440008 0.589123 0.436838 -1.021985 -0.072812 0.034905 -0.028261 0.085549 -0.060287 -0.059960 -0.036974 0.065897 0.205160 -0.123878 0.020943 0.102935 10.295014 7.863802 0.008014 -1.604560 6.981539 -3.594981 16.039701 0.001068 267 C 12.276086 14.409823 22.216712 -0.160622 24.637031 0.33179923E+03 0.76703969E+04 8.002643 6.267716 -0.239417 1.920669 0.998434 31.911508 107.367480 0.596746 0.443991 -0.995477 0.073990 -0.053102 0.010175 0.091640 -0.102157 -0.040095 -0.060710 0.036584 0.385215 -0.184691 0.038990 0.145700 9.606919 6.928103 -0.223554 -1.974220 6.443969 -2.680982 15.448686 0.002140 268 C 13.242283 14.392501 21.220760 -0.155916 22.019831 0.30471351E+03 0.69990068E+04 7.742755 6.184092 -0.237057 1.926309 0.998082 32.829786 115.573249 0.566591 0.470643 -0.966615 -0.092778 0.006253 -0.019185 0.094947 -0.151609 -0.045290 -0.097051 0.098419 0.407785 -0.255671 0.086504 0.169167 8.967616 7.499257 -0.795722 -0.464082 6.372394 -1.723323 13.031197 0.004155 269 C 12.838909 15.198928 20.053944 -0.218768 27.560112 0.42071984E+03 0.10485559E+05 9.172125 7.354053 -0.532869 1.808277 0.998029 36.401157 133.915630 0.509819 0.482050 -0.959898 -0.084147 -0.134807 0.001102 0.158918 -0.213589 -0.054474 -0.126684 0.127801 0.406595 -0.329573 0.132656 0.196918 10.600452 7.919007 -1.017712 2.197857 8.935549 -1.165591 14.946801 0.006095 270 C 11.757062 14.615760 19.161409 -0.112893 26.339379 0.38316713E+03 0.88652377E+04 7.938942 6.608963 -0.193674 1.946918 0.997865 28.974731 86.946173 0.619290 0.427474 -1.040916 0.086751 -0.030327 0.012648 0.092766 -0.022262 0.005085 0.033558 -0.052332 0.038982 -0.046476 -0.005725 0.052201 9.011913 6.655651 -1.011759 0.803482 10.441891 2.656924 9.938197 -0.000323 271 C 13.389097 12.121419 17.423550 0.111328 25.604203 0.33938095E+03 0.76728628E+04 8.019161 6.400989 -0.242836 1.925275 0.998696 28.186589 85.609922 0.598409 0.452729 -1.018687 -0.031431 -0.015962 0.021179 0.041124 -0.003784 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0.68800681E+04 7.945910 6.061851 0.206571 2.074803 0.998206 30.159870 100.757000 0.596685 0.453424 -0.989237 0.049701 0.009236 -0.066498 0.083531 0.074686 0.153164 -0.093729 -0.016096 -0.241232 -0.237409 0.097162 0.140248 8.807791 9.729983 -1.022709 -1.188373 10.713831 -2.875796 5.979560 0.003832 365 C 3.712141 14.292420 19.010779 -0.113718 26.237111 0.37593922E+03 0.86563682E+04 7.905657 6.539426 -0.053338 1.990678 0.998542 28.834835 86.308371 0.623584 0.426572 -1.041505 0.084251 0.030974 0.016853 0.091332 0.029477 0.007785 -0.037020 -0.029017 0.015725 -0.050281 -0.000056 0.050338 9.024255 6.592402 1.135922 0.858745 10.388880 -2.532120 10.091484 0.000509 366 C 4.675887 13.747745 20.006732 -0.200869 26.549228 0.39905185E+03 0.97185157E+04 8.783834 7.127213 -0.523534 1.820413 0.997691 34.466151 121.364417 0.526859 0.477355 -0.971795 -0.068278 0.127467 0.001799 0.144613 0.182534 -0.029702 0.071275 0.057353 0.459987 -0.274111 0.099863 0.174247 10.165156 7.280802 0.845009 1.685850 8.500020 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6.336727 -0.143685 1.954852 0.998312 28.315537 85.776944 0.609816 0.444814 -1.023812 0.020911 0.021277 0.035846 0.046636 0.016440 -0.038824 0.025276 0.027863 -0.042906 -0.057279 0.011223 0.046056 8.518301 4.998579 0.233332 0.602385 9.460888 1.315651 11.095435 -0.000152 384 C 4.067904 7.662015 19.129934 0.017080 25.691208 0.33387681E+03 0.78739187E+04 8.827345 6.772490 -0.077061 1.968005 0.996728 33.395618 120.511119 0.504150 0.515160 -0.941683 -0.083361 -0.034960 -0.068219 0.113248 -0.178488 -0.201276 -0.103321 -0.305379 0.219964 -0.383447 0.180881 0.202566 9.769801 4.828248 -0.502892 0.402535 12.862370 -0.225201 11.618784 0.000073 385 C 3.394987 13.643814 9.289562 -0.105355 23.541980 0.31137887E+03 0.71593239E+04 7.922154 6.256790 -0.365742 1.893962 0.996914 32.451459 112.667775 0.565038 0.471461 -0.970457 0.097122 -0.004151 -0.016458 0.098595 -0.149222 0.081504 0.105460 -0.087299 0.325139 -0.255468 0.085320 0.170148 9.262622 7.222707 -0.472856 1.009964 7.278642 3.003080 13.286517 0.000678 386 C 4.604124 13.703478 10.260785 -0.197594 28.267225 0.40740233E+03 0.96962319E+04 8.589026 6.889010 -0.037778 1.981652 0.998545 31.006329 98.440277 0.589122 0.436839 -1.021985 -0.072812 0.034905 0.028261 0.085549 -0.060289 0.059961 0.036975 0.065898 0.205161 -0.123881 0.020945 0.102936 10.295025 7.863814 0.008020 1.604561 6.981544 3.594990 16.039718 0.001061 387 C 4.265586 14.409823 11.506288 -0.160622 24.636968 0.33179832E+03 0.76703750E+04 8.002637 6.267709 -0.239430 1.920664 0.998434 31.911586 107.367943 0.596745 0.443992 -0.995476 0.073990 -0.053102 -0.010174 0.091640 -0.102159 0.040096 0.060712 0.036585 0.385219 -0.184694 0.038992 0.145702 9.606912 6.928108 -0.223549 1.974221 6.443964 2.680977 15.448663 0.002125 388 C 5.231783 14.392501 12.502240 -0.155915 22.019725 0.30471163E+03 0.69989573E+04 7.742746 6.184082 -0.237068 1.926306 0.998082 32.829846 115.573656 0.566590 0.470644 -0.966614 -0.092778 0.006253 0.019185 0.094947 -0.151612 0.045291 0.097051 0.098417 0.407791 -0.255675 0.086506 0.169169 8.967606 7.499250 -0.795722 0.464090 6.372391 1.723326 13.031178 0.004140 389 C 4.828409 15.198928 13.669056 -0.218768 27.560055 0.42071858E+03 0.10485528E+05 9.172125 7.354048 -0.532887 1.808271 0.998029 36.401312 133.916576 0.509818 0.482050 -0.959897 -0.084149 -0.134808 -0.001102 0.158920 -0.213594 0.054474 0.126684 0.127802 0.406609 -0.329580 0.132658 0.196921 10.600455 7.919017 -1.017710 -2.197851 8.935550 1.165591 14.946797 0.006073 390 C 3.746562 14.615760 14.561591 -0.112893 26.339362 0.38316691E+03 0.88652332E+04 7.938942 6.608962 -0.193675 1.946918 0.997865 28.974739 86.946257 0.619290 0.427474 -1.040916 0.086751 -0.030327 -0.012648 0.092765 -0.022263 -0.005085 -0.033558 -0.052333 0.038983 -0.046478 -0.005725 0.052202 9.011913 6.655654 -1.011747 -0.803485 10.441894 -2.656930 9.938190 -0.000324 391 C 5.378597 12.121419 16.299450 0.111328 25.604168 0.33938041E+03 0.76728442E+04 8.019140 6.400976 -0.242827 1.925278 0.998696 28.186536 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22.325152 0.29643626E+03 0.65523022E+04 7.287185 5.888732 0.047440 2.039152 0.996763 27.951172 87.081060 0.631684 0.438676 -1.015273 0.050181 -0.010492 -0.033989 0.061510 0.010900 0.055645 0.034096 -0.056702 -0.273208 -0.118477 0.029674 0.088804 7.900641 8.329383 -2.662266 1.101255 6.286484 0.652882 9.086058 0.000064 395 C 15.508531 12.140666 4.058001 -0.104443 24.669936 0.36999752E+03 0.84993536E+04 7.623401 6.540177 -0.328735 1.908950 0.996928 28.786277 86.514264 0.615046 0.433522 -1.035638 0.067937 0.039893 -0.033547 0.085629 -0.038788 0.012708 0.022052 0.031644 -0.147089 -0.063141 -0.003293 0.066434 8.389591 9.588158 -0.843803 0.183514 10.186333 0.143760 5.394281 -0.000112 396 C 15.751797 13.455199 3.522929 -0.204158 24.672073 0.39477627E+03 0.92908993E+04 7.799307 6.812398 -0.269591 1.905787 0.997977 30.893980 96.473568 0.590363 0.440839 -1.023079 0.049888 -0.045836 0.084881 0.108603 0.040988 -0.006737 0.057065 0.049544 -0.027072 -0.083209 0.020070 0.063139 8.492082 8.247821 1.517134 1.220212 10.284597 1.239412 6.943829 0.001415 397 C 0.848250 14.203886 4.152425 -0.172974 23.728813 0.38861503E+03 0.91527212E+04 7.515140 6.669191 -0.316670 1.891041 0.998073 31.157091 98.830311 0.605923 0.429198 -1.025140 -0.066772 -0.038681 0.060560 0.098093 0.045983 -0.017480 0.081246 0.066173 0.032525 -0.114608 0.038527 0.076081 8.125753 7.487799 1.700636 0.561397 8.912070 2.157951 7.977391 0.001555 398 C 0.739046 14.452165 5.611507 -0.186396 24.830328 0.41187692E+03 0.97503621E+04 7.694212 6.910438 -0.338063 1.884261 0.997366 30.678316 94.605951 0.595083 0.434785 -1.031497 -0.060850 0.035475 -0.067476 0.097541 -0.025567 -0.002234 0.059812 0.024449 -0.012621 -0.070570 0.009521 0.061049 8.355122 7.445303 -1.267020 -0.776334 9.295438 2.898334 8.324627 0.000026 399 C 15.602950 15.356749 6.013935 -0.202118 25.790877 0.40955010E+03 0.97110229E+04 7.870903 6.856282 -0.307648 1.894523 0.997838 30.962910 96.514376 0.600132 0.430429 -1.030960 0.074691 -0.018090 0.050365 0.091884 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7.769779 -0.113716 26.237075 0.37593839E+03 0.86563343E+04 7.905633 6.539411 -0.053315 1.990685 0.998542 28.834693 86.307546 0.623587 0.426572 -1.041507 -0.084250 -0.030974 0.016852 0.091331 0.029475 -0.007788 0.037020 -0.029015 0.015717 -0.050282 -0.000054 0.050335 9.024221 6.592360 1.135925 -0.858733 10.388757 2.532091 10.091545 0.000509 406 C 3.190167 5.498713 8.765732 -0.200863 26.549262 0.39905259E+03 0.97184884E+04 8.783751 7.127164 -0.523474 1.820435 0.997691 34.465269 121.358995 0.526869 0.477347 -0.971804 0.068271 -0.127458 0.001799 0.144602 0.182504 0.029696 -0.071272 0.057345 0.459919 -0.274069 0.099842 0.174227 10.165067 7.280693 0.844975 -1.685864 8.499873 -1.005000 14.714636 0.000859 407 C 2.897465 4.580657 9.851612 -0.166290 25.107737 0.32579056E+03 0.74471392E+04 8.257580 6.307283 -0.162816 1.949982 0.998337 30.913305 101.187919 0.585164 0.457907 -0.994461 0.049985 0.074690 0.006218 0.090087 0.086241 0.000181 -0.041069 0.017636 0.281451 -0.137719 0.029132 0.108587 10.064354 6.083399 0.975810 -0.035017 6.717690 -0.491028 17.391972 0.001035 408 C 3.247283 4.932867 11.099363 -0.141104 21.976416 0.27325225E+03 0.61432439E+04 7.644241 5.805648 -0.281282 1.911008 0.998497 33.129652 117.594368 0.588983 0.462561 -0.965190 -0.025145 -0.109392 -0.013833 0.113094 0.158276 0.030099 -0.083290 0.060821 0.468215 -0.256179 0.074545 0.181635 9.414863 5.652765 0.318689 0.981113 6.212656 -1.761850 16.379167 0.001303 409 C 2.848496 4.061003 12.284165 -0.201915 26.994114 0.40643075E+03 0.96835199E+04 8.325451 6.858521 -0.090810 1.967983 0.998127 31.140327 99.460842 0.592316 0.434016 -1.021932 0.081798 0.024324 -0.030780 0.090719 0.072977 0.040934 -0.039088 0.044527 0.226832 -0.129323 0.036925 0.092397 9.633387 8.581566 0.353576 0.562446 7.109171 -3.036248 13.209422 0.000394 410 C 4.150311 3.939750 12.994596 -0.094141 23.302381 0.30959710E+03 0.70816369E+04 7.685450 6.085261 -0.299861 1.911795 0.997491 32.003028 109.479280 0.597003 0.448531 -0.986308 -0.096128 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2.239828 0.998164 28.193219 77.013600 0.650929 0.391705 -1.101269 -0.031254 0.229853 -0.021842 0.232994 0.023601 0.017934 -0.049301 0.175932 0.470411 -0.177346 0.011868 0.165478 9.227431 5.775791 0.482207 0.598009 9.657379 -0.933307 12.249125 -0.001009 490 N 4.060240 17.435366 4.631292 -0.312052 42.492655 0.61943866E+03 0.15858202E+05 10.560244 8.221336 -0.126361 1.948994 0.999472 31.042682 92.126634 0.584699 0.409183 -1.072415 -0.007332 -0.084694 -0.047275 0.097272 0.004942 -0.039023 -0.036732 -0.039071 0.073662 -0.054816 -0.011019 0.065835 12.290858 6.325713 -0.452821 -0.794568 16.915871 2.932206 13.630991 0.000569 491 N 2.282956 18.576681 15.843065 -0.281713 40.781675 0.57412202E+03 0.14382935E+05 10.198594 7.941870 -0.108772 1.964608 0.999450 29.962958 87.197275 0.593458 0.411977 -1.073465 -0.065117 -0.034112 -0.060396 0.095139 -0.018872 -0.029829 -0.014501 0.002095 -0.030890 -0.044073 0.013089 0.030984 11.955758 16.418128 1.997868 3.330414 8.661572 3.326832 10.787574 -0.000141 492 N 0.233152 18.032007 15.236051 -0.254037 31.282374 0.49294214E+03 0.11717994E+05 8.301103 7.145616 0.855169 2.293162 0.999028 27.713359 74.963795 0.663337 0.388432 -1.105125 0.218725 0.025001 -0.016162 0.220742 -0.048788 -0.054761 0.050139 -0.169535 0.327849 -0.158865 0.007970 0.150896 8.885676 10.173517 0.476872 0.506394 6.393701 3.016233 10.089809 -0.000846 493 N 1.116084 17.581639 14.334523 0.160922 24.504014 0.28520022E+03 0.58961038E+04 6.960898 5.312385 0.389616 2.236677 0.999405 21.438051 53.580544 0.798418 0.371074 -1.120999 -0.055838 0.006798 -0.003104 0.056335 0.008362 0.012152 0.063826 0.061708 0.108226 -0.083108 0.009319 0.073790 8.051209 7.922081 1.061108 2.609170 5.641645 3.635505 10.589900 -0.000533 494 N 2.300959 10.414258 17.929395 -0.290283 41.093244 0.58821568E+03 0.14840318E+05 10.277896 8.057850 -0.090845 1.967038 0.999408 30.330162 88.864824 0.586498 0.413936 -1.071131 -0.063271 0.052223 0.054938 0.098735 0.012287 0.029512 -0.019662 0.020108 0.025388 -0.041348 0.003908 0.037440 12.055282 16.257353 -2.671502 -3.392452 8.296985 3.026839 11.611506 -0.000108 495 N 0.311926 11.164870 18.484700 -0.273798 31.963615 0.51998726E+03 0.12526254E+05 8.416400 7.342599 0.837016 2.279266 0.999141 28.252254 76.914742 0.653942 0.388811 -1.104926 0.217858 -0.061208 0.018271 0.227030 0.063438 0.062519 0.049993 -0.106148 0.384250 -0.151796 -0.015052 0.166847 8.962382 10.299356 -1.010913 -0.217605 6.243866 2.525839 10.343923 -0.000721 496 N 1.210558 11.397752 19.467164 0.165674 24.019493 0.28472085E+03 0.58902877E+04 6.883382 5.325273 0.350759 2.225878 0.999401 21.433440 53.783324 0.792671 0.373504 -1.117923 -0.056466 0.000782 -0.000742 0.056476 -0.017783 -0.005381 0.049255 0.053108 0.148025 -0.074105 0.002648 0.071457 7.912677 7.652407 -1.333170 -2.335181 5.445591 3.334886 10.640032 -0.000605 497 N 4.061055 11.349636 6.627694 -0.296096 42.484400 0.61940918E+03 0.15947465E+05 10.763239 8.359801 -0.295725 1.894976 0.998936 31.561846 95.689584 0.562272 0.423102 -1.057468 -0.022718 0.085745 0.038406 0.096661 -0.003794 0.056258 -0.029110 -0.048989 0.079115 -0.072047 0.000593 0.071454 12.543036 6.639780 0.109077 0.710818 17.028380 3.096182 13.960947 0.000038 498 N 3.964194 13.582225 6.937945 -0.269410 32.501799 0.51541721E+03 0.12352211E+05 8.406950 7.234802 0.969238 2.323126 0.999323 27.967040 75.211894 0.671111 0.380825 -1.113963 -0.014616 -0.221418 0.031485 0.224122 -0.004001 -0.032462 -0.025622 0.134346 0.466984 -0.147510 -0.016200 0.163710 9.139500 5.541719 -0.414913 -0.719492 9.939335 -1.090094 11.937447 -0.000982 499 N 3.720881 12.914373 8.082279 0.151946 28.441971 0.30800500E+03 0.65906316E+04 8.278309 5.721192 0.366824 2.230462 0.999429 22.306328 59.606307 0.718274 0.398517 -1.084568 0.003592 0.047462 -0.010212 0.048680 -0.030055 -0.015281 0.027859 -0.109111 0.228268 -0.100696 0.010017 0.090679 10.274837 4.660026 -1.166892 -1.844935 10.846490 4.649911 15.317995 -0.000807 500 N 5.365009 13.291604 15.726159 -0.255728 31.970234 0.51454457E+03 0.12408037E+05 8.472065 7.383687 0.424326 2.139599 0.999412 28.593237 78.822889 0.639251 0.397333 -1.094927 -0.179443 -0.150605 -0.010544 0.234505 -0.151450 0.064250 -0.039534 0.039878 0.182299 -0.183846 0.011637 0.172208 9.070769 8.159022 -1.073446 1.646575 11.310576 -3.082757 7.742708 -0.000548 501 N 4.162943 13.357042 15.161861 0.164187 25.298331 0.28720383E+03 0.59728392E+04 7.277268 5.356920 0.431612 2.254913 0.999450 21.515585 54.675410 0.786039 0.374689 -1.113621 0.038464 0.040345 0.010346 0.056694 -0.009785 0.031723 -0.053346 -0.034216 -0.104459 -0.071715 -0.000096 0.071811 8.773248 6.026944 -0.111475 0.892175 13.319260 -5.002854 6.973538 -0.000284 502 N 4.209343 11.443944 16.119594 -0.291705 42.349323 0.59934297E+03 0.15231750E+05 10.583219 8.142543 -0.085083 1.968755 0.999489 30.603210 90.762650 0.580973 0.414836 -1.067760 0.028395 0.081340 -0.032311 0.092013 -0.028498 -0.009732 -0.006594 0.073144 -0.063412 -0.040486 -0.017089 0.057574 12.584204 10.702675 0.482569 0.403673 18.285981 -5.604078 8.763957 0.000031 503 N 2.524257 10.333423 4.561598 -0.290643 42.599601 0.59422926E+03 0.15131519E+05 10.795707 8.264079 -0.282244 1.911435 0.998547 30.832015 92.767957 0.558099 0.430989 -1.053275 -0.074600 0.032753 -0.038781 0.090233 -0.008352 0.006941 0.039204 -0.076846 0.031942 -0.047685 -0.015027 0.062713 12.848679 14.878460 -5.613257 4.416150 10.504770 -0.629136 13.162807 0.000029 504 N 0.730217 11.359260 4.022030 0.160277 24.704790 0.29818183E+03 0.62562312E+04 7.089433 5.474094 0.168857 2.160541 0.998948 21.747580 55.413224 0.774640 0.376855 -1.112611 -0.006685 0.022944 -0.054263 0.059292 -0.065312 -0.003276 0.011346 0.035862 -0.005847 -0.067517 -0.002444 0.069960 8.224371 10.610390 -4.745462 0.917759 7.715789 0.013323 6.346935 -0.000182 505 N 1.304882 10.997426 2.861959 -0.271307 30.897558 0.49137048E+03 0.11669014E+05 8.196148 7.098983 0.844633 2.285252 0.999270 27.886062 75.344953 0.670605 0.384605 -1.108082 0.055251 -0.043997 0.223673 0.234560 -0.035963 -0.106218 0.107346 0.019613 -0.229688 -0.170148 0.002137 0.168011 8.740402 9.460730 -3.066671 0.567634 7.415426 1.027587 9.345050 -0.000269 506 N 2.425313 18.393840 6.706381 -0.296498 44.381823 0.62077462E+03 0.15964529E+05 11.081672 8.433660 -0.297562 1.901886 0.998520 31.189941 93.990360 0.554312 0.429665 -1.055182 -0.062694 -0.047580 0.044845 0.090584 0.008857 -0.012472 0.043895 -0.056932 0.029763 -0.046076 -0.015076 0.061152 13.111812 14.023787 5.973987 -4.006274 11.763774 -0.594769 13.547874 0.000170 507 N 1.315135 17.529674 8.453232 -0.296852 33.088908 0.53724991E+03 0.13030178E+05 8.518792 7.383170 0.843740 2.261937 0.999684 28.879935 78.535158 0.663730 0.380488 -1.112457 0.049419 0.069605 -0.228055 0.243508 0.039230 0.095047 0.136909 0.021179 -0.209279 -0.182184 0.000617 0.181567 9.035649 8.829637 3.155283 -0.295946 8.297387 1.068536 9.979922 -0.001123 508 N 0.781811 17.079307 7.270679 0.141015 25.020517 0.30727396E+03 0.64712677E+04 7.065746 5.526898 0.277834 2.193797 0.999226 21.872459 55.156226 0.780143 0.372794 -1.119822 -0.001524 -0.019849 0.043600 0.047929 0.078521 0.011974 0.019733 0.013751 0.027100 -0.083803 0.002664 0.081139 8.096319 9.020652 4.850248 -0.235458 8.662724 0.587412 6.605580 -0.001292 509 N 3.628790 1.703312 6.337676 -0.282495 42.723319 0.58792421E+03 0.14887650E+05 10.674181 8.112184 -0.099939 1.967468 0.999358 30.446023 90.485923 0.576256 0.419745 -1.063353 -0.027947 0.077555 0.027615 0.086939 0.027921 -0.018775 0.006335 0.066789 -0.077305 -0.041848 -0.017443 0.059291 12.824175 10.714541 -0.495900 0.326111 19.548501 5.326978 8.209482 0.000519 510 N 3.729234 3.689546 7.196488 0.162695 25.735233 0.28962748E+03 0.60417877E+04 7.377442 5.398356 0.384440 2.236822 0.999383 21.629405 55.224500 0.778155 0.377324 -1.110590 -0.042023 0.044791 -0.006604 0.061772 0.014621 0.022257 0.054328 -0.027152 -0.125554 -0.072312 0.000987 0.071325 8.964133 6.068414 0.276581 0.946499 13.722679 5.087009 7.101306 -0.000171 511 N 2.521699 3.629882 6.641183 -0.254578 31.274919 0.50387391E+03 0.12077288E+05 8.328497 7.297145 0.546446 2.184001 0.999391 28.306144 77.586569 0.644827 0.396292 -1.096547 0.178862 -0.151424 0.014931 0.234827 0.156487 0.065482 0.041271 0.038102 0.199911 -0.191615 0.014348 0.177267 8.908358 8.055132 0.993412 1.685365 11.244249 2.651374 7.425694 -0.000364 512 N 3.983956 3.264199 14.314289 0.141558 28.341691 0.30961101E+03 0.66143765E+04 8.188881 5.694255 0.349816 2.224671 0.999352 22.219202 58.765688 0.730037 0.392725 -1.091711 -0.009951 0.046053 0.013370 0.048976 0.014742 0.000910 -0.022765 -0.102057 0.244881 -0.094027 0.005700 0.088326 10.184160 4.348225 0.331086 -0.560228 10.379681 -4.450239 15.824575 -0.000744 513 N 3.796001 3.972469 15.451879 -0.268279 32.318800 0.51121957E+03 0.12280756E+05 8.486669 7.307511 0.705213 2.239808 0.998163 28.193568 77.015254 0.650917 0.391708 -1.101265 0.031256 -0.229855 -0.021843 0.232996 0.023603 -0.017937 0.049303 0.175924 0.470423 -0.177346 0.011863 0.165483 9.227611 5.775900 0.482214 -0.598009 9.657667 0.933409 12.249265 -0.001019 514 N 3.805814 1.811092 15.872292 -0.312046 42.492803 0.61944036E+03 0.15858296E+05 10.560334 8.221390 -0.126399 1.948983 0.999472 31.042889 92.128149 0.584692 0.409187 -1.072409 0.007332 0.084693 -0.047277 0.097271 0.004946 0.039031 0.036729 -0.039085 0.073658 -0.054824 -0.011014 0.065839 12.290980 6.325774 -0.452827 0.794582 16.916125 -2.932207 13.631039 0.000562 515 N 5.583098 0.669777 4.602065 -0.281709 40.781479 0.57412038E+03 0.14382855E+05 10.198511 7.941833 -0.108736 1.964621 0.999450 29.962735 87.195959 0.593464 0.411974 -1.073469 0.065121 0.034112 -0.060393 0.095140 -0.018875 0.029833 0.014501 0.002087 -0.030883 -0.044077 0.013091 0.030986 11.955631 16.417874 1.997843 -3.330445 8.661458 -3.326793 10.787561 -0.000142 516 N 7.632902 1.214451 3.995051 -0.254003 31.281383 0.49292251E+03 0.11717390E+05 8.300881 7.145438 0.855233 2.293187 0.999028 27.712876 74.961618 0.663351 0.388428 -1.105129 -0.218723 -0.025002 -0.016160 0.220740 -0.048790 0.054761 -0.050131 -0.169551 0.327849 -0.158874 0.007983 0.150891 8.885430 10.173157 0.476853 -0.506380 6.393523 -3.016138 10.089611 -0.000850 517 N 6.749970 1.664819 3.093523 0.160952 24.503714 0.28519690E+03 0.58960115E+04 6.960827 5.312346 0.389644 2.236688 0.999405 21.437878 53.579808 0.798424 0.371073 -1.121001 0.055841 -0.006796 -0.003107 0.056338 0.008362 -0.012154 -0.063820 0.061697 0.108225 -0.083099 0.009313 0.073786 8.051125 7.921950 1.061068 -2.609119 5.641561 -3.635451 10.589864 -0.000536 518 N 5.565095 8.832200 6.688395 -0.290280 41.093000 0.58821377E+03 0.14840207E+05 10.277764 8.057791 -0.090794 1.967054 0.999408 30.329842 88.862695 0.586507 0.413931 -1.071138 0.063275 -0.052224 0.054934 0.098736 0.012292 -0.029520 0.019662 0.020103 0.025416 -0.041356 0.003907 0.037449 12.055095 16.256921 -2.671478 3.392602 8.296896 -3.026834 11.611468 -0.000105 519 N 7.554128 8.081588 7.243700 -0.273757 31.962128 0.51995824E+03 0.12525349E+05 8.416068 7.342349 0.837098 2.279297 0.999141 28.251623 76.911774 0.653961 0.388806 -1.104933 -0.217856 0.061207 0.018269 0.227027 0.063442 -0.062517 -0.049984 -0.106171 0.384246 -0.151806 -0.015034 0.166841 8.962007 10.298888 -1.010837 0.217577 6.243627 -2.525680 10.343506 -0.000706 520 N 6.655496 7.848706 8.226164 0.165706 24.019243 0.28471837E+03 0.58902179E+04 6.883331 5.325247 0.350792 2.225890 0.999401 21.433272 53.782650 0.792675 0.373504 -1.117924 0.056468 -0.000786 -0.000739 0.056479 -0.017782 0.005384 -0.049250 0.053095 0.148018 -0.074095 0.002642 0.071453 7.912616 7.652318 -1.333142 2.335162 5.445534 -3.334844 10.639995 -0.000589 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.554764 The total net atomic charge of the unit cell is 0.000000 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= 8476 The rms potential error without charges in kcal/mol is= 4.78783 The rms potential error with partial charges in kcal/mol is= 1.87209 The RRMSE value at monopole order= 0.39101 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.86751 The RRMSE value at monopole order with cloud penetration is= 0.39005 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.46401 The RRMSE value at dipole order= 0.09691 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.46023 The RRMSE value at dipole order with cloud penetration= 0.09613 ****************************************************** 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.