580 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 18.177000 0.000000 0.000000 }, { 0.000000 23.867000 0.000000 }, { 0.000000 0.000000 22.425000 }] Cu 7.810293 17.718383 14.693533 0.220000 Cu 16.895158 18.004071 6.966102 0.229433 Cu 16.854260 21.249745 8.403096 0.245470 Cu 7.758125 20.956658 13.292419 0.275832 Cu 12.546311 18.558263 11.073465 0.233757 Cu 3.134078 18.532248 10.955734 0.272933 Cu 14.347106 21.079334 11.208015 0.322992 Cu 10.366707 6.148617 3.481033 0.220004 Cu 1.281842 5.862929 18.178602 0.229432 Cu 1.322740 2.617255 19.615596 0.245461 Cu 10.418875 2.910342 2.079919 0.275831 Cu 5.630689 5.308737 22.285965 0.233759 Cu 15.042922 5.334752 22.168234 0.272934 Cu 3.829894 2.787666 -0.004485 0.322975 Cu 1.278207 5.784883 14.693533 0.220002 Cu 10.370342 6.070571 6.966102 0.229436 Cu 10.411240 9.316245 8.403096 0.245472 Cu 1.330375 9.023158 13.292419 0.275829 Cu 14.719189 6.624763 11.073465 0.233759 Cu 5.954422 6.598748 10.955734 0.272940 Cu 12.918394 9.145834 11.208015 0.322981 Cu 16.898793 18.082117 3.481033 0.220002 Cu 7.806658 17.796429 18.178602 0.229431 Cu 7.765760 14.550755 19.615596 0.245461 Cu 16.846625 14.843842 2.079919 0.275831 Cu 3.457811 17.242237 22.285965 0.233760 Cu 12.222578 17.268252 22.168234 0.272936 Cu 5.258606 14.721166 -0.004485 0.322978 H 17.524446 12.472894 6.649013 0.115033 H 17.666226 11.215103 8.638110 0.127700 H 17.429925 14.618538 10.786425 0.124964 H 17.209984 15.819048 8.833208 0.098404 H 16.862803 0.770904 1.394835 0.128607 H 16.811907 20.064987 1.706543 0.091358 H 16.893704 23.640264 3.484845 0.114184 H 17.004583 21.026827 22.077413 0.126061 H 10.806226 16.296388 14.993355 0.123186 H 11.493317 14.064823 15.092025 0.135410 H 16.648314 13.050476 12.555758 0.126783 H 0.730715 10.496707 10.528538 0.108576 H 10.831674 16.079198 10.950128 0.111726 H 11.558754 13.866727 11.068980 0.117794 H 16.584695 22.372926 20.052435 0.122179 H 14.016285 16.601885 6.799260 0.116352 H 14.338018 15.809501 10.737090 0.111296 H 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14.577954 17.847743 9.028305 0.244594 C 13.956301 16.000437 7.503405 -0.125061 C 14.218049 16.427656 8.813025 0.009818 C 14.183513 15.525484 9.867000 -0.138579 C 13.914493 14.191318 9.600143 -0.177219 C 13.629115 13.768872 8.346585 0.158098 C 12.005909 11.888153 8.476650 0.071644 C 17.640778 0.171842 19.375200 -0.046476 C 13.916311 11.401266 7.579650 -0.124676 C 1.914038 16.857262 8.167185 0.028786 C 2.321203 15.904969 9.035032 -0.125361 C 4.736926 15.823821 14.607645 -0.110565 C 2.017647 16.663939 6.790290 -0.101168 C 4.082554 13.654311 13.798103 0.168610 C 4.377022 14.542163 14.813955 -0.171821 C 2.770175 11.644709 13.423605 0.087456 C 2.904685 14.496816 7.227578 0.180702 C 13.154695 10.310544 7.613288 -0.065060 C 1.348733 18.150854 8.660535 0.245210 C 4.395199 11.406039 14.816197 -0.135640 C 2.513879 15.472976 6.323850 -0.165539 C 4.449730 15.449109 12.237323 -0.131420 C 13.603667 14.659111 7.256730 -0.182943 C 5.194987 17.687834 12.970620 0.259613 C 4.825994 16.320255 13.262145 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7.474253 -0.119433 C 9.659258 0.210030 8.671748 -0.198888 C 9.642899 0.859212 9.878213 0.152522 C 9.811945 2.253045 9.961185 -0.193849 C 9.939184 2.964281 8.790600 -0.096630 C 10.366343 9.785470 2.852460 0.033303 C 10.335442 11.778365 1.464353 -0.200330 C 10.377249 9.057527 1.652723 -0.095517 C 10.217292 11.024167 0.327405 0.160553 C 10.359072 11.174529 2.722395 -0.130485 C 10.282729 9.620788 0.417105 -0.184200 C 16.506534 4.489383 12.943710 0.013206 C 16.306587 3.883161 14.210723 -0.119333 C 15.877610 2.556156 14.271270 -0.166597 C 16.955506 5.864122 12.809160 0.244555 C 10.066423 0.398579 12.338235 -0.143313 C 8.821298 22.838332 11.223712 0.062843 C 15.606772 1.868786 13.076018 0.142772 C 16.284774 3.751892 11.779853 -0.136304 C 15.841256 2.427274 11.844885 -0.179815 C 10.211839 11.212717 20.269958 -0.134156 C 12.687546 5.914243 9.028305 0.244594 C 13.309199 4.066937 7.503405 -0.125061 C 13.047451 4.494156 8.813025 0.009822 C 13.081987 3.591984 9.867000 -0.138572 C 13.351007 2.257818 9.600143 -0.177218 C 13.636385 1.835372 8.346585 0.158103 C 15.259592 23.821653 8.476650 0.071644 C 9.624722 12.105342 19.375200 -0.046475 C 13.349189 23.334766 7.579650 -0.124676 C 7.174462 4.923762 8.167185 0.028785 C 6.767297 3.971469 9.035032 -0.125361 C 4.351574 3.890321 14.607645 -0.110565 C 7.070853 4.730439 6.790290 -0.101167 C 5.005946 1.720811 13.798103 0.168609 C 4.711478 2.608663 14.813955 -0.171821 C 6.318325 23.578209 13.423605 0.087456 C 6.183815 2.563316 7.227578 0.180702 C 14.110805 22.244044 7.613288 -0.065057 C 7.739767 6.217354 8.660535 0.245211 C 4.693301 23.339539 14.816197 -0.135640 C 6.574621 3.539476 6.323850 -0.165538 C 4.638770 3.515609 12.237323 -0.131420 C 13.661833 2.725611 7.256730 -0.182938 C 3.893513 5.754334 12.970620 0.259614 C 4.262507 4.386755 13.262145 0.013112 C 4.795093 0.579968 7.330733 0.048810 C 6.274700 2.754252 8.595503 -0.186929 C 4.955050 2.198151 12.481755 -0.189968 C 9.633810 23.291805 13.165718 -0.052073 C 5.614875 23.198724 5.767710 -0.039095 C 5.344038 22.129482 14.625585 -0.060772 C 9.186656 12.780779 21.371025 0.043362 C 6.263794 0.532234 5.783408 -0.158586 C 15.923052 23.201111 13.078260 0.087701 C 13.892681 22.645010 12.228353 -0.125282 C 13.861780 0.138429 12.571455 -0.085485 C 7.803386 14.680592 15.376823 0.230909 C 8.176015 20.828731 17.473560 0.214188 C 8.277806 21.518487 18.747300 0.033044 C 8.412316 22.898000 18.686753 -0.119439 C 8.517742 23.656970 19.884248 -0.198889 C 8.534101 23.007788 21.090713 0.152521 C 8.365055 21.613955 21.173685 -0.193855 C 8.237816 20.902719 20.003100 -0.096636 C 7.810657 14.081530 14.064960 0.033301 C 7.841558 12.088636 12.676853 -0.200329 C 7.799751 14.809474 12.865223 -0.095517 C 7.959708 12.842833 11.539905 0.160554 C 7.817928 12.692471 13.934895 -0.130485 C 7.894271 14.246212 11.629605 -0.184199 C 1.670466 19.377617 1.731210 0.013201 C 1.870413 19.983839 2.998223 -0.119331 C 2.299390 21.310844 3.058770 -0.166602 C 1.221494 18.002878 1.596660 0.244557 C 8.110577 23.468421 1.125735 -0.143316 C 9.355702 1.028668 0.011213 0.062841 C 2.570228 21.998214 1.863518 0.142767 C 1.892226 20.115108 0.567353 -0.136313 C 2.335745 21.439726 0.632385 -0.179820 C 7.965161 12.654283 9.057458 -0.134157 C 5.489454 17.952757 20.240805 0.244609 C 4.867801 19.800063 18.715905 -0.125053 C 5.129549 19.372844 20.025525 0.009831 C 5.095013 20.275017 21.079500 -0.138556 C 4.825994 21.609182 20.812643 -0.177211 C 4.540615 22.031628 19.559085 0.158116 C 2.917409 0.045347 19.689150 0.071646 C 8.552278 11.761658 8.162700 -0.046474 C 4.827811 0.532234 18.792150 -0.124673 C 11.002538 18.943238 19.379685 0.028784 C 11.409703 19.895531 20.247533 -0.125361 C 13.825426 19.976679 3.395145 -0.110563 C 11.106147 19.136561 18.002790 -0.101167 C 13.171054 22.146189 2.585603 0.168611 C 13.465522 21.258337 3.601455 -0.171818 C 11.858675 0.288791 2.211105 0.087455 C 11.993185 21.303684 18.440078 0.180702 C 4.066195 1.622956 18.825788 -0.065058 C 10.437233 17.649647 19.873035 0.245211 C 13.483699 0.527461 3.603698 -0.135639 C 11.602379 20.327524 17.536350 -0.165539 C 13.538230 20.351391 1.024823 -0.131420 C 4.515167 21.141389 18.469230 -0.182921 C 14.283487 18.112666 1.758120 0.259615 C 13.914493 19.480245 2.049645 0.013114 C 13.381907 23.287032 18.543232 0.048811 C 11.902300 21.112748 19.808003 -0.186928 C 13.221950 21.668849 1.269255 -0.189967 C 8.543190 0.575195 1.953218 -0.052073 C 12.562125 0.668276 16.980210 -0.039094 C 12.832962 1.737518 3.413085 -0.060770 C 8.990344 11.086222 10.158525 0.043362 C 11.913206 23.334766 16.995908 -0.158585 C 2.253948 0.665889 1.865760 0.087710 C 4.284319 1.221990 1.015853 -0.125283 C 4.315220 23.728571 1.358955 -0.085486 N 4.587875 18.530339 12.129683 -0.239812 N 1.770440 18.833450 9.696570 -0.218399 N 0.997917 19.926558 9.770573 -0.091252 N 0.149051 19.900305 8.804055 0.003412 N 0.309009 18.752302 8.079728 -0.239004 N 16.904610 19.797677 4.419968 -0.242602 N 16.884615 19.692662 5.769953 -0.045984 N 16.891886 20.902719 6.272273 -0.015842 N 6.236529 18.274962 13.517790 -0.232422 N 6.263794 19.556620 13.013228 -0.011507 N 5.287689 19.697435 12.143138 -0.097709 N 17.397207 14.327360 5.090475 -0.288874 N 17.050026 16.418109 4.680097 -0.059327 N 17.050026 16.308321 6.027840 -0.237356 N 10.884388 18.656834 11.943555 -0.218985 N 9.250275 18.332243 13.347360 -0.206543 N 9.155755 19.585260 12.820373 -0.021841 N 10.175485 19.780970 11.972708 -0.101579 N 17.226343 15.227146 4.153110 -0.011490 N 17.740752 12.040902 11.107103 0.022713 N 16.915516 21.831145 5.285573 -0.292000 N 0.216306 10.444199 12.459330 -0.229758 N 14.101717 18.611487 10.035188 -0.242828 N 0.061802 1.155163 20.104012 -0.209601 N 17.288145 23.606850 21.487635 0.037399 N 14.723370 19.790516 9.941003 -0.062543 N 15.524976 19.733236 8.900482 0.002742 N 13.200137 12.422774 8.133548 0.020161 N 15.481351 18.530339 8.353312 -0.187586 N 3.371833 13.231865 6.774592 0.042691 N 4.431553 11.303411 6.718530 -0.355058 N 2.702920 10.391692 13.728585 -0.230435 N 3.759004 12.305825 14.011140 0.031760 N 11.935018 10.594561 8.200823 -0.253292 N 12.147689 12.415613 13.096200 0.010213 N 12.098611 10.215076 12.542303 -0.307734 N 13.589125 5.336661 0.917183 -0.239813 N 16.406560 5.033550 20.909070 -0.218399 N 17.179083 3.940442 20.983073 -0.091252 N 18.027949 3.966695 20.016555 0.003408 N 17.867991 5.114698 19.292227 -0.239006 N 1.272390 4.069324 15.632468 -0.242604 N 1.292385 4.174338 16.982453 -0.045987 N 1.285114 2.964281 17.484773 -0.015842 N 11.940471 5.592038 2.305290 -0.232420 N 11.913206 4.310380 1.800728 -0.011507 N 12.889311 4.169565 0.930638 -0.097710 N 0.779793 9.539640 16.302975 -0.288874 N 1.126974 7.448891 15.892598 -0.059328 N 1.126974 7.558679 17.240340 -0.237364 N 7.292612 5.210166 0.731055 -0.218988 N 8.926725 5.534757 2.134860 -0.206541 N 9.021245 4.281740 1.607873 -0.021840 N 8.001515 4.086030 0.760208 -0.101582 N 0.950657 8.639854 15.365610 -0.011489 N 0.436248 11.826099 22.319602 0.022713 N 1.261484 2.035855 16.498073 -0.292000 N 17.960694 13.422801 1.246830 -0.229758 N 4.075283 5.255513 21.247688 -0.242809 N 18.115198 22.711837 8.891513 -0.209600 N 0.888855 0.260150 10.275135 0.037398 N 3.453630 4.076484 21.153503 -0.062520 N 2.652024 4.133764 20.112983 0.002759 N 4.976863 11.444227 19.346048 0.020154 N 2.695649 5.336661 19.565813 -0.187582 N 14.805167 10.635135 17.987092 0.042691 N 13.745447 12.563589 17.931030 -0.355059 N 15.474080 13.475308 2.516085 -0.230436 N 14.417996 11.561175 2.798640 0.031759 N 6.241982 13.272439 19.413323 -0.253287 N 6.029311 11.451387 1.883700 0.010219 N 6.078389 13.651924 1.329802 -0.307732 N 4.500625 6.596839 12.129683 -0.239814 N 7.318060 6.899950 9.696570 -0.218401 N 8.090583 7.993058 9.770573 -0.091252 N 8.939449 7.966805 8.804055 0.003411 N 8.779491 6.818802 8.079728 -0.239005 N 10.360890 7.864177 4.419968 -0.242601 N 10.380885 7.759162 5.769953 -0.045985 N 10.373614 8.969219 6.272273 -0.015842 N 2.851971 6.341462 13.517790 -0.232423 N 2.824706 7.623120 13.013228 -0.011507 N 3.800811 7.763935 12.143138 -0.097709 N 9.868293 2.393860 5.090475 -0.288874 N 10.215474 4.484609 4.680097 -0.059326 N 10.215474 4.374821 6.027840 -0.237358 N 16.381112 6.723334 11.943555 -0.218986 N 18.015225 6.398743 13.347360 -0.206543 N 18.109745 7.651760 12.820373 -0.021839 N 17.090015 7.847470 11.972708 -0.101580 N 10.039157 3.293646 4.153110 -0.011491 N 9.524748 0.107402 11.107103 0.022713 N 10.349984 9.897645 5.285573 -0.291999 N 8.872194 22.377699 12.459330 -0.229758 N 13.163783 6.677987 10.035188 -0.242820 N 9.026698 13.088663 20.104012 -0.209601 N 9.977355 11.673350 21.487635 0.037399 N 12.542130 7.857016 9.941003 -0.062535 N 11.740524 7.799736 8.900482 0.002747 N 14.065363 0.489273 8.133548 0.020159 N 11.784149 6.596839 8.353312 -0.187586 N 5.716666 1.298365 6.774592 0.042691 N 4.656947 23.236911 6.718530 -0.355060 N 6.385580 22.325192 13.728585 -0.230435 N 5.329496 0.372325 14.011140 0.031760 N 15.330482 22.528061 8.200823 -0.253290 N 15.117811 0.482113 13.096200 0.010217 N 15.166889 22.148576 12.542303 -0.307735 N 13.676375 17.270161 0.917183 -0.239814 N 10.858940 16.967050 20.909070 -0.218399 N 10.086417 15.873942 20.983073 -0.091252 N 9.237551 15.900195 20.016555 0.003408 N 9.397509 17.048198 19.292227 -0.239007 N 7.816110 16.002824 15.632468 -0.242602 N 7.796115 16.107838 16.982453 -0.045986 N 7.803386 14.897781 17.484773 -0.015843 N 15.325029 17.525538 2.305290 -0.232422 N 15.352294 16.243880 1.800728 -0.011506 N 14.376189 16.103065 0.930638 -0.097710 N 8.308707 21.473140 16.302975 -0.288873 N 7.961526 19.382391 15.892598 -0.059327 N 7.961526 19.492179 17.240340 -0.237362 N 1.795888 17.143666 0.731055 -0.218989 N 0.161775 17.468257 2.134860 -0.206543 N 0.067255 16.215240 1.607873 -0.021839 N 1.086985 16.019530 0.760208 -0.101583 N 8.137843 20.573354 15.365610 -0.011490 N 8.652252 23.759599 22.319602 0.022713 N 7.827016 13.969355 16.498073 -0.292000 N 9.304806 1.489301 1.246830 -0.229759 N 5.013217 17.189013 21.247688 -0.242814 N 9.150302 10.778337 8.891513 -0.209600 N 8.199645 12.193650 10.275135 0.037397 N 5.634870 16.009984 21.153503 -0.062525 N 6.436476 16.067264 20.112983 0.002756 N 4.111637 23.377727 19.346048 0.020155 N 6.392851 17.270161 19.565813 -0.187581 N 12.460334 22.568635 17.987092 0.042691 N 13.520053 0.630089 17.931030 -0.355059 N 11.791420 1.541808 2.516085 -0.230435 N 12.847504 23.494675 2.798640 0.031759 N 2.846518 1.338939 19.413323 -0.253288 N 3.059189 23.384887 1.883700 0.010218 N 3.010111 1.718424 1.329802 -0.307731 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 7.810293 17.718383 14.693533 0.220000 111.796762 0.21293279E+04 0.70077873E+05 19.955544 16.061381 0.763963 2.015843 0.996133 56.202538 156.722843 0.409650 0.454312 -1.106578 -0.003935 0.026302 -0.011882 0.029128 0.000879 0.000775 -0.043680 -0.057915 0.067208 -0.040242 -0.023580 0.063822 24.434156 19.134002 1.237973 0.411117 29.737373 -0.816370 24.431094 0.000198 2 Cu 16.895158 18.004071 6.966102 0.229433 111.250969 0.21192883E+04 0.69689659E+05 19.952297 16.071999 0.752554 2.012139 0.996471 56.102057 156.557931 0.407518 0.457068 -1.104517 0.014160 0.027643 -0.000325 0.031061 -0.009017 -0.008761 0.048404 -0.031228 0.096220 -0.036625 -0.031791 0.068416 24.443862 18.249060 -1.421548 -1.984348 29.569565 2.930157 25.512962 -0.000429 3 Cu 16.854260 21.249745 8.403096 0.245470 123.242037 0.19370107E+04 0.62073448E+05 20.956350 15.111435 1.112547 2.145000 0.993182 53.960931 147.051659 0.432336 0.442090 -1.117454 0.006640 0.011671 -0.044865 0.046831 0.012847 0.002928 0.001120 -0.018539 0.021118 -0.019528 0.006307 0.013221 28.651573 30.163900 -4.990610 2.968686 36.843419 2.349768 18.947400 -0.007735 4 Cu 7.758125 20.956658 13.292419 0.275832 121.952845 0.17910760E+04 0.56350779E+05 20.890955 14.563207 1.049093 2.137011 0.992491 53.108079 143.960861 0.438419 0.444049 -1.114893 0.003191 0.011509 0.025362 0.028034 0.024452 -0.000809 0.008399 -0.008908 -0.003399 -0.025791 -0.000927 0.026717 29.433500 29.785905 -4.039452 -5.558401 38.990205 -2.607896 19.524388 -0.005175 5 Cu 12.546311 18.558263 11.073465 0.233757 167.266507 0.23064598E+04 0.78348647E+05 26.731493 17.545340 0.112641 1.803685 0.999563 59.382894 174.774039 0.360256 0.500506 -1.067571 -0.021988 -0.033634 -0.023624 0.046613 -0.015216 -0.007237 -0.016758 -0.059873 -0.022806 -0.034733 -0.007117 0.041850 37.596515 58.596478 6.745273 -30.602038 20.454211 -3.121627 33.738856 0.004991 6 Cu 3.134078 18.532248 10.955734 0.272933 175.923607 0.21432989E+04 0.71500312E+05 27.653593 16.984064 0.090278 1.816142 0.998879 57.496339 167.830060 0.363789 0.504698 -1.065089 0.014959 0.084501 -0.008201 0.086206 0.003318 0.025924 0.019473 -0.110129 -0.140195 -0.067503 -0.014361 0.081863 41.715725 58.878478 -4.041101 39.005733 18.155251 -2.969643 48.113446 0.000216 7 Cu 14.347106 21.079334 11.208015 0.322992 148.025650 0.19779716E+04 0.64762662E+05 24.447585 16.056440 0.263579 1.859055 0.999867 57.048547 165.713455 0.382729 0.488776 -1.072189 0.014689 0.049069 0.080939 0.095785 -0.021581 -0.104256 -0.011082 -0.119811 0.022462 -0.141157 0.058555 0.082602 33.436120 15.489830 2.438522 -0.560634 54.084959 25.655785 30.733570 0.005593 8 Cu 10.366707 6.148617 3.481033 0.220004 111.794608 0.21292809E+04 0.70075956E+05 19.955360 16.061258 0.763922 2.015836 0.996133 56.201821 156.720558 0.409650 0.454315 -1.106576 0.003934 -0.026296 -0.011880 0.029122 0.000877 -0.000773 0.043674 -0.057903 0.067210 -0.040235 -0.023577 0.063812 24.433903 19.133845 1.237963 -0.411101 29.736996 0.816367 24.430868 0.000186 9 Cu 1.281842 5.862929 18.178602 0.229432 111.251356 0.21192971E+04 0.69690023E+05 19.952336 16.072027 0.752557 2.012139 0.996471 56.102185 156.558389 0.407518 0.457068 -1.104517 -0.014168 -0.027646 -0.000329 0.031067 -0.009022 0.008768 -0.048406 -0.031225 0.096224 -0.036628 -0.031792 0.068420 24.443911 18.249084 -1.421545 1.984309 29.569650 -2.930125 25.513001 -0.000429 10 Cu 1.322740 2.617255 19.615596 0.245461 123.242873 0.19370270E+04 0.62074117E+05 20.956461 15.111515 1.112543 2.144996 0.993182 53.961139 147.052535 0.432334 0.442091 -1.117453 -0.006644 -0.011675 -0.044868 0.046836 0.012848 -0.002925 -0.001118 -0.018537 0.021120 -0.019528 0.006310 0.013218 28.651719 30.164106 -4.990756 -2.968714 36.843534 -2.349785 18.947516 -0.007359 11 Cu 10.418875 2.910342 2.079919 0.275831 121.953028 0.17910791E+04 0.56350907E+05 20.890987 14.563228 1.049093 2.137010 0.992491 53.108086 143.960983 0.438418 0.444050 -1.114892 -0.003191 -0.011509 0.025362 0.028034 0.024452 0.000810 -0.008398 -0.008907 -0.003403 -0.025790 -0.000927 0.026717 29.433539 29.786000 -4.039425 5.558446 38.990166 2.607893 19.524452 -0.004766 12 Cu 5.630689 5.308737 22.285965 0.233759 167.268817 0.23065005E+04 0.78350404E+05 26.731761 17.545524 0.112630 1.803680 0.999563 59.383220 174.775642 0.360253 0.500507 -1.067570 0.021987 0.033628 -0.023616 0.046605 -0.015219 0.007235 0.016765 -0.059844 -0.022789 -0.034727 -0.007114 0.041841 37.596882 58.597064 6.745340 30.602304 20.454450 3.121644 33.739132 0.004560 13 Cu 15.042922 5.334752 22.168234 0.272934 175.926426 0.21433313E+04 0.71501702E+05 27.653935 16.984238 0.090276 1.816142 0.998879 57.496510 167.831234 0.363785 0.504701 -1.065087 -0.014959 -0.084501 -0.008201 0.086206 0.003318 -0.025931 -0.019473 -0.110136 -0.140199 -0.067511 -0.014357 0.081868 41.716287 58.879290 -4.041125 -39.006302 18.155462 2.969660 48.114110 0.000130 14 Cu 3.829894 2.787666 -0.004485 0.322975 148.028397 0.19780331E+04 0.64765210E+05 24.447872 16.056704 0.263569 1.859045 0.999867 57.049350 165.716729 0.382725 0.488777 -1.072188 -0.014696 -0.049072 0.080944 0.095791 -0.021576 0.104272 0.011078 -0.119822 0.022473 -0.141174 0.058557 0.082617 33.436356 15.490047 2.438586 0.560667 54.085258 -25.655823 30.733762 0.005170 15 Cu 1.278207 5.784883 14.693533 0.220002 111.796695 0.21293257E+04 0.70077780E+05 19.955530 16.061368 0.763968 2.015844 0.996133 56.202522 156.722741 0.409651 0.454312 -1.106578 0.003934 0.026302 -0.011883 0.029128 -0.000879 -0.000775 -0.043680 -0.057916 0.067208 -0.040242 -0.023580 0.063822 24.434145 19.134021 -1.237978 -0.411117 29.737311 -0.816376 24.431104 0.000192 16 Cu 10.370342 6.070571 6.966102 0.229436 111.249769 0.21192615E+04 0.69688568E+05 19.952189 16.071925 0.752531 2.012135 0.996471 56.101656 156.556637 0.407518 0.457070 -1.104515 -0.014160 0.027640 -0.000325 0.031058 0.009018 0.008761 0.048401 -0.031221 0.096222 -0.036625 -0.031787 0.068412 24.443718 18.249001 1.421538 1.984335 29.569337 2.930120 25.512815 -0.000436 17 Cu 10.411240 9.316245 8.403096 0.245472 123.241652 0.19370039E+04 0.62073186E+05 20.956335 15.111430 1.112532 2.144996 0.993182 53.960783 147.051305 0.432335 0.442091 -1.117453 -0.006640 0.011673 -0.044862 0.046829 -0.012847 -0.002926 0.001120 -0.018538 0.021138 -0.019531 0.006313 0.013218 28.651546 30.163946 4.990660 -2.968700 36.843305 2.349714 18.947388 -0.007784 18 Cu 1.330375 9.023158 13.292419 0.275829 121.953209 0.17910813E+04 0.56350994E+05 20.891006 14.563236 1.049091 2.137009 0.992491 53.108125 143.961117 0.438418 0.444050 -1.114892 -0.003191 0.011509 0.025363 0.028034 -0.024452 0.000810 0.008399 -0.008909 -0.003408 -0.025790 -0.000928 0.026718 29.433582 29.786043 4.039483 5.558437 38.990255 -2.607882 19.524448 -0.005093 19 Cu 14.719189 6.624763 11.073465 0.233759 167.271798 0.23065357E+04 0.78351940E+05 26.732111 17.545695 0.112635 1.803682 0.999563 59.383461 174.777029 0.360250 0.500509 -1.067568 0.021986 -0.033632 -0.023619 0.046608 0.015215 0.007246 -0.016757 -0.059878 -0.022830 -0.034739 -0.007115 0.041854 37.597443 58.597965 -6.745492 30.602817 20.454722 -3.121720 33.739640 0.004890 20 Cu 5.954422 6.598748 10.955734 0.272940 175.925846 0.21433223E+04 0.71501288E+05 27.653788 16.984139 0.090288 1.816143 0.998879 57.496690 167.831311 0.363788 0.504697 -1.065089 -0.014960 0.084501 -0.008202 0.086206 -0.003317 -0.025932 0.019472 -0.110124 -0.140194 -0.067510 -0.014351 0.081861 41.716095 58.879070 4.041143 -39.006128 18.155364 -2.969675 48.113852 0.000182 21 Cu 12.918394 9.145834 11.208015 0.322981 148.028908 0.19780219E+04 0.64764744E+05 24.447915 16.056644 0.263591 1.859053 0.999867 57.049248 165.716257 0.382727 0.488776 -1.072188 -0.014694 0.049069 0.080943 0.095788 0.021574 0.104266 -0.011078 -0.119818 0.022467 -0.141167 0.058556 0.082611 33.436564 15.490053 -2.438686 0.560580 54.085732 25.656087 30.733909 0.005541 22 Cu 16.898793 18.082117 3.481033 0.220002 111.796360 0.21293190E+04 0.70077504E+05 19.955498 16.061349 0.763965 2.015844 0.996133 56.202432 156.722426 0.409651 0.454312 -1.106578 -0.003935 -0.026301 -0.011881 0.029127 -0.000878 0.000773 0.043680 -0.057912 0.067210 -0.040240 -0.023581 0.063821 24.434092 19.133953 -1.237968 0.411090 29.737265 0.816385 24.431058 0.000190 23 Cu 7.806658 17.796429 18.178602 0.229431 111.251527 0.21193008E+04 0.69690172E+05 19.952347 16.072034 0.752566 2.012141 0.996471 56.102255 156.558580 0.407518 0.457068 -1.104517 0.014168 -0.027646 -0.000329 0.031067 0.009022 -0.008767 -0.048406 -0.031227 0.096225 -0.036628 -0.031793 0.068420 24.443928 18.249081 1.421546 -1.984317 29.569702 -2.930136 25.513003 -0.000427 24 Cu 7.765760 14.550755 19.615596 0.245461 123.243208 0.19370334E+04 0.62074353E+05 20.956455 15.111508 1.112561 2.145001 0.993182 53.961296 147.052824 0.432336 0.442089 -1.117455 0.006645 -0.011673 -0.044871 0.046838 -0.012848 0.002926 -0.001117 -0.018537 0.021106 -0.019526 0.006306 0.013220 28.651712 30.164084 4.990711 2.968704 36.843543 -2.349797 18.947510 -0.007336 25 Cu 16.846625 14.843842 2.079919 0.275831 121.953084 0.17910795E+04 0.56350923E+05 20.890997 14.563232 1.049092 2.137010 0.992491 53.108088 143.961014 0.438418 0.444050 -1.114892 0.003191 -0.011509 0.025363 0.028034 -0.024452 -0.000810 -0.008398 -0.008908 -0.003404 -0.025790 -0.000927 0.026717 29.433565 29.785995 4.039476 -5.558444 38.990242 2.607907 19.524458 -0.004778 26 Cu 3.457811 17.242237 22.285965 0.233760 167.270124 0.23065165E+04 0.78351077E+05 26.731865 17.545563 0.112644 1.803683 0.999563 59.383487 174.776520 0.360254 0.500506 -1.067571 -0.021988 0.033629 -0.023619 0.046607 0.015217 -0.007243 0.016763 -0.059838 -0.022799 -0.034728 -0.007109 0.041837 37.597060 58.597360 -6.745383 -30.602486 20.454513 3.121673 33.739305 0.004607 27 Cu 12.222578 17.268252 22.168234 0.272936 175.922938 0.21432885E+04 0.71499884E+05 27.653554 16.984038 0.090276 1.816143 0.998879 57.496149 167.829468 0.363788 0.504699 -1.065088 0.014958 -0.084499 -0.008200 0.086203 -0.003318 0.025923 -0.019473 -0.110132 -0.140191 -0.067502 -0.014363 0.081864 41.715678 58.878440 4.041046 39.005692 18.155218 2.969595 48.113377 0.000164 28 Cu 5.258606 14.721166 -0.004485 0.322978 148.027626 0.19780201E+04 0.64764677E+05 24.447807 16.056658 0.263561 1.859045 0.999867 57.049141 165.715978 0.382726 0.488777 -1.072187 0.014694 -0.049070 0.080943 0.095789 0.021580 -0.104267 0.011078 -0.119819 0.022471 -0.141169 0.058556 0.082614 33.436274 15.490003 -2.438571 -0.560670 54.085137 -25.655765 30.733682 0.005204 29 H 17.524446 12.472894 6.649013 0.115033 1.269807 0.98318513E+01 0.10095386E+03 1.887038 1.797449 -1.253794 2.280616 0.995759 3.607373 10.106331 0.484071 1.232279 -0.720431 0.001238 -0.021706 -0.033351 0.039812 -0.000321 0.001468 0.012521 -0.033348 -0.008065 -0.015637 -0.008278 0.023915 1.916132 1.589188 0.016629 -0.018338 1.716338 0.205938 2.442871 0.000089 30 H 17.666226 11.215103 8.638110 0.127700 1.141523 0.85906248E+01 0.84784277E+02 1.737729 1.666886 -0.867479 2.474447 0.999128 3.243002 8.738560 0.511678 1.212882 -0.727544 0.001833 -0.038286 -0.007166 0.038994 -0.002178 0.001022 0.006207 -0.030127 0.019387 -0.018542 0.002585 0.015957 1.743626 1.431624 -0.045217 0.065054 2.207534 -0.146034 1.591718 0.000038 31 H 17.429925 14.618538 10.786425 0.124964 1.113280 0.85668032E+01 0.84515463E+02 1.707567 1.664672 -0.867679 2.471536 0.999221 3.259292 8.789182 0.511822 1.213025 -0.727308 -0.000517 0.023579 0.028279 0.036823 -0.003036 -0.000096 0.004911 -0.032251 0.012955 -0.018574 0.002314 0.016260 1.695679 1.437323 0.000524 0.015855 1.582302 0.104312 2.067413 0.000223 32 H 17.209984 15.819048 8.833208 0.098404 1.147431 0.87648877E+01 0.89076913E+02 1.876536 1.781075 -1.307079 2.245669 0.992845 3.964668 11.735937 0.444056 1.357217 -0.690405 -0.003912 0.035224 0.008055 0.036345 -0.001152 0.000541 0.012564 -0.024321 0.037235 -0.018473 -0.003684 0.022157 1.938563 1.640160 -0.125640 -0.001091 2.586832 -0.139540 1.588697 0.000181 33 H 16.862803 0.770904 1.394835 0.128607 1.118227 0.83438096E+01 0.82348690E+02 1.762465 1.679587 -0.840122 2.491612 0.999286 3.306663 9.124894 0.489488 1.267862 -0.714297 -0.008603 0.037981 0.000857 0.038952 -0.002237 0.001800 0.003885 -0.027925 0.017860 -0.017312 0.004171 0.013140 1.785574 1.503767 -0.078707 -0.089918 2.254405 -0.211216 1.598549 0.000010 34 H 16.811907 20.064987 1.706543 0.091358 1.173038 0.89401425E+01 0.91546068E+02 1.915380 1.804995 -1.462649 2.166133 0.991025 4.140736 12.408172 0.437696 1.366591 -0.687432 -0.004121 -0.035187 -0.005305 0.035822 0.002863 -0.000330 0.012682 -0.024198 0.037134 -0.018752 -0.003535 0.022288 1.990159 1.659727 0.105142 -0.044427 2.642222 -0.263555 1.668529 0.000051 35 H 16.893704 23.640264 3.484845 0.114184 1.256440 0.96938808E+01 0.99001988E+02 1.865728 1.779288 -1.128069 2.341996 0.996640 3.534026 9.814440 0.489704 1.224690 -0.722886 0.000476 0.024401 0.029785 0.038507 0.000676 0.000151 0.008572 -0.032854 -0.009021 -0.014937 -0.006068 0.021005 1.890326 1.589102 -0.059315 -0.111644 1.782061 0.287243 2.299816 0.000043 36 H 17.004583 21.026827 22.077413 0.126061 1.056076 0.80525386E+01 0.78150123E+02 1.640540 1.607547 -0.814854 2.498613 0.999554 3.197937 8.527689 0.524425 1.203444 -0.729421 0.000541 -0.027288 -0.025570 0.037400 0.002558 -0.000985 0.004613 -0.033657 0.009862 -0.018748 0.001859 0.016890 1.624056 1.389034 -0.001204 -0.021667 1.563642 0.169247 1.919492 0.000043 37 H 10.806226 16.296388 14.993355 0.123186 1.028606 0.73707597E+01 0.70902341E+02 1.688751 1.593878 -0.892086 2.464939 0.998719 3.357494 9.307997 0.492639 1.292495 -0.707084 -0.006984 0.017255 0.038540 0.042799 -0.001988 0.001553 0.000113 -0.028639 0.050590 -0.022949 0.006025 0.016924 1.746756 1.430829 -0.149412 -0.173589 1.742959 0.442023 2.066478 0.000090 38 H 11.493317 14.064823 15.092025 0.135410 1.006663 0.73005781E+01 0.69983118E+02 1.664505 1.586424 -0.848530 2.495258 0.999462 3.261627 8.994403 0.494262 1.292745 -0.707821 -0.000094 -0.014111 0.038960 0.041437 -0.006376 -0.001674 0.000599 -0.017576 0.036197 -0.016959 0.004667 0.012292 1.685651 1.396833 -0.138740 0.097965 1.568384 -0.301774 2.091737 0.000095 39 H 16.648314 13.050476 12.555758 0.126783 1.164096 0.83817477E+01 0.82146870E+02 1.747526 1.637324 -0.866058 2.473499 0.999232 3.243322 8.685294 0.521055 1.199405 -0.730187 -0.027313 0.029715 0.019845 0.044975 -0.020074 -0.011642 0.001507 -0.011445 0.040570 -0.029337 0.006595 0.022742 1.766415 1.914495 -0.455889 -0.093429 1.873980 0.001528 1.510771 0.000110 40 H 0.730715 10.496707 10.528538 0.108576 1.390774 0.10989281E+02 0.11612984E+03 2.039670 1.934184 -1.004513 2.406480 0.997740 3.553202 10.129396 0.454019 1.276608 -0.713430 0.029522 -0.030321 -0.034692 0.054721 -0.016942 -0.013132 0.004390 -0.010820 0.028375 -0.024608 0.001306 0.023302 2.020334 1.887784 -0.271180 -0.296232 1.871909 0.155319 2.301309 0.000070 41 H 10.831674 16.079198 10.950128 0.111726 1.241333 0.10008405E+02 0.10342877E+03 1.889240 1.841484 -1.034329 2.387475 0.997277 3.541316 10.017497 0.466474 1.270581 -0.713530 -0.009563 0.013182 -0.038760 0.042042 -0.011916 0.003555 0.000891 -0.015148 0.042774 -0.021599 0.006880 0.014720 1.871488 1.583224 -0.044695 -0.038328 1.888143 -0.278956 2.143097 0.000226 42 H 11.558754 13.866727 11.068980 0.117794 0.983314 0.71508764E+01 0.69157516E+02 1.709200 1.621538 -1.187058 2.317177 0.995653 3.682508 10.678451 0.459303 1.378880 -0.686794 0.000953 -0.015368 -0.032657 0.036105 -0.006941 0.005480 0.000862 -0.018899 0.032817 -0.018224 0.006126 0.012098 1.762509 1.495488 -0.147534 -0.256680 1.752143 0.453600 2.039895 0.000250 43 H 16.584695 22.372926 20.052435 0.122179 1.245527 0.90518087E+01 0.90259922E+02 1.817465 1.693522 -0.896761 2.456335 0.999071 3.291340 8.833889 0.516974 1.188168 -0.733336 -0.021674 -0.034358 -0.019233 0.044946 0.018544 0.002519 0.007779 -0.022162 0.046144 -0.029356 0.006638 0.022718 1.840842 1.876960 0.509531 0.181358 2.037092 0.106602 1.608473 0.000029 44 H 14.016285 16.601885 6.799260 0.116352 1.182824 0.88643610E+01 0.89125220E+02 1.840622 1.739142 -1.077283 2.370425 0.996909 3.513813 9.897246 0.476101 1.279540 -0.710221 0.003116 0.023258 -0.035027 0.042161 -0.001857 0.006414 -0.002368 -0.028055 0.049362 -0.023363 0.005305 0.018058 1.893624 1.493092 0.139183 -0.090834 2.091704 -0.454054 2.096076 0.000142 45 H 14.338018 15.809501 10.737090 0.111296 1.267377 0.10084469E+02 0.10444173E+03 1.916157 1.849041 -1.004431 2.400067 0.997530 3.561306 10.094300 0.465172 1.271368 -0.713219 0.007698 0.010210 0.037574 0.039690 0.007494 0.006201 -0.002111 -0.020803 0.042423 -0.021108 0.005748 0.015359 1.915651 1.607160 0.044539 0.009039 1.848086 0.248654 2.291706 0.000803 46 H 13.932671 13.573163 10.295318 0.105011 1.018701 0.75149099E+01 0.73604697E+02 1.742977 1.655282 -1.274574 2.261809 0.994958 3.856825 11.264354 0.457375 1.367261 -0.688073 0.004767 -0.018711 0.024276 0.031019 -0.000673 0.006675 0.001651 -0.019752 0.021485 -0.015486 0.005776 0.009710 1.782479 1.466688 0.066655 -0.080365 1.902004 -0.476697 1.978746 0.000132 47 H 11.311547 12.372653 8.862360 0.092897 1.245790 0.93972748E+01 0.96756665E+02 1.955373 1.825852 -1.259833 2.269269 0.994880 3.897735 11.448138 0.447164 1.330334 -0.696915 -0.041616 0.020529 0.019715 0.050419 -0.002039 -0.015400 0.011202 -0.005575 -0.038941 -0.024438 0.004938 0.019500 2.002758 2.409816 -0.295543 -0.485793 1.815296 0.332494 1.783162 0.000121 48 H 17.628055 0.107402 18.446805 0.120827 1.375654 0.99405134E+01 0.10271928E+03 2.040201 1.847485 -1.033166 2.399713 0.997500 3.513686 9.991849 0.460340 1.287610 -0.710005 -0.002756 -0.001792 -0.045955 0.046073 0.017906 0.004543 0.008330 -0.023238 0.036239 -0.027385 0.004069 0.023317 2.142159 1.685341 0.065176 0.000662 1.561897 -0.094799 3.179238 0.000019 49 H 14.779719 11.458547 7.238790 0.127063 1.088837 0.77552532E+01 0.75427145E+02 1.738234 1.622972 -1.032729 2.396817 0.998046 3.405709 9.441282 0.494444 1.273672 -0.710888 0.039485 -0.007123 -0.019362 0.044550 -0.007059 -0.018833 0.012406 -0.001670 -0.056257 -0.030013 0.002871 0.027142 1.779028 2.373123 0.221137 -0.318534 1.436249 -0.014844 1.527712 0.000029 50 H 2.268490 16.072038 9.949973 0.095915 1.297907 0.10100379E+02 0.10595564E+03 2.012929 1.893700 -1.384859 2.208515 0.992745 4.017709 11.935707 0.438535 1.331422 -0.696334 -0.006266 -0.000351 0.034898 0.035457 -0.012513 -0.004016 -0.006034 -0.008251 0.022670 -0.018723 0.006907 0.011817 2.052326 1.660334 -0.038214 0.201175 1.780720 0.183681 2.715923 0.000029 51 H 4.924149 16.382309 15.327488 0.117307 1.158525 0.86122410E+01 0.86118399E+02 1.828190 1.723610 -1.042677 2.390053 0.997071 3.505772 9.904060 0.473514 1.293580 -0.707049 0.008073 0.021308 0.035155 0.041894 0.000041 -0.000050 0.001538 -0.028087 0.043673 -0.021322 0.006472 0.014850 1.888228 1.547183 0.212686 0.195683 2.022587 0.450901 2.094914 0.000019 52 H 1.754080 17.332215 6.198270 0.122180 1.055551 0.75985410E+01 0.73759660E+02 1.724750 1.622503 -0.990483 2.417010 0.997812 3.436124 9.615173 0.485674 1.299189 -0.705138 -0.011357 0.027225 -0.028495 0.041013 -0.002326 0.000402 -0.003923 -0.027531 0.032198 -0.019327 0.005578 0.013749 1.781615 1.494961 -0.254109 0.168415 1.987090 -0.442602 1.862792 0.000015 53 H 4.324308 14.236666 15.690773 0.119165 1.031089 0.74994627E+01 0.72536469E+02 1.696605 1.609539 -0.947627 2.434071 0.998162 3.433605 9.580949 0.488850 1.295401 -0.705876 0.000430 -0.005744 0.033214 0.033709 0.008002 -0.002271 0.004310 -0.014484 0.029368 -0.016257 0.004406 0.011851 1.735365 1.345421 0.101135 -0.034632 1.602833 -0.316710 2.257842 0.000010 54 H 2.172152 12.052835 12.838313 0.080186 1.322817 0.98030344E+01 0.10173886E+03 2.001726 1.835866 -1.430967 2.176570 0.992987 4.051739 11.845586 0.457749 1.289296 -0.704245 -0.033714 0.014683 -0.029342 0.047044 -0.001150 0.017256 -0.010111 -0.004242 -0.012990 -0.021463 0.002105 0.019358 2.081975 2.387724 -0.148933 0.701446 1.795790 -0.356179 2.062411 0.000025 55 H 13.407355 9.477586 7.288125 0.114996 1.139981 0.81787613E+01 0.80317880E+02 1.781331 1.661511 -0.791088 2.510808 0.999449 3.326805 9.157706 0.492755 1.265756 -0.714592 0.013064 -0.042164 -0.018607 0.047903 -0.004201 -0.013438 0.011629 -0.006319 -0.051566 -0.025619 0.004279 0.021340 1.843801 1.458674 -0.088402 -0.063943 2.418403 0.332635 1.654325 0.000060 56 H 5.118643 11.568335 15.376823 0.128713 1.106183 0.79290184E+01 0.77736335E+02 1.773171 1.654140 -1.001379 2.412936 0.998001 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1.747558 1.637352 -0.866076 2.473489 0.999232 3.243358 8.685454 0.521047 1.199415 -0.730185 0.027312 -0.029714 0.019846 0.044975 -0.020073 0.011643 -0.001507 -0.011444 0.040571 -0.029337 0.006595 0.022742 1.766447 1.914531 -0.455902 0.093432 1.874014 -0.001528 1.510797 0.000069 82 H 17.446285 13.370293 21.741038 0.108575 1.390781 0.10989359E+02 0.11613093E+03 2.039681 1.934194 -1.004516 2.406478 0.997740 3.553215 10.129461 0.454016 1.276613 -0.713429 -0.029522 0.030320 -0.034692 0.054721 -0.016942 0.013132 -0.004389 -0.010820 0.028376 -0.024608 0.001307 0.023301 2.020345 1.887793 -0.271182 0.296234 1.871919 -0.155319 2.301323 0.000048 83 H 7.345326 7.787802 22.162627 0.111721 1.241366 0.10008769E+02 0.10343360E+03 1.889285 1.841526 -1.034346 2.387462 0.997277 3.541370 10.017741 0.466465 1.270593 -0.713528 0.009565 -0.013182 -0.038759 0.042042 -0.011917 -0.003555 -0.000892 -0.015149 0.042774 -0.021600 0.006881 0.014719 1.871532 1.583258 -0.044696 0.038330 1.888188 0.278965 2.143150 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13.852692 9.630335 4.478273 0.119167 1.031082 0.74993999E+01 0.72535691E+02 1.696596 1.609531 -0.947627 2.434072 0.998162 3.433588 9.580882 0.488852 1.295399 -0.705877 -0.000430 0.005744 0.033214 0.033710 0.008002 0.002271 -0.004310 -0.014483 0.029367 -0.016257 0.004406 0.011851 1.735356 1.345415 0.101134 0.034631 1.602825 0.316708 2.257829 0.000019 96 H 16.004848 11.814165 1.625813 0.080185 1.322818 0.98030443E+01 0.10173900E+03 2.001728 1.835868 -1.430967 2.176570 0.992987 4.051743 11.845602 0.457748 1.289297 -0.704245 0.033714 -0.014683 -0.029342 0.047044 -0.001150 -0.017257 0.010111 -0.004242 -0.012990 -0.021463 0.002105 0.019358 2.081977 2.387726 -0.148933 -0.701447 1.795791 0.356179 2.062413 0.000019 97 H 4.769645 14.389414 18.500625 0.114998 1.139972 0.81786800E+01 0.80316876E+02 1.781321 1.661502 -0.791082 2.510812 0.999449 3.326788 9.157645 0.492757 1.265756 -0.714592 -0.013064 0.042164 -0.018608 0.047903 -0.004201 0.013437 -0.011629 -0.006319 -0.051566 -0.025619 0.004278 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13.317786 16.417343 0.111721 1.323944 0.93599899E+01 0.94077214E+02 1.907650 1.734935 -0.752045 2.524321 0.999737 3.241552 8.722700 0.505330 1.205931 -0.730933 0.007015 0.036788 -0.023593 0.044262 -0.008045 -0.019032 -0.009339 -0.010710 -0.016101 -0.027383 0.012248 0.015135 1.956053 1.537362 0.065362 -0.071916 2.256496 -0.665447 2.074301 0.000080 107 H 14.210779 14.477722 3.818978 0.117511 1.125553 0.80175856E+01 0.78566216E+02 1.782259 1.656156 -0.823835 2.496766 0.999311 3.363358 9.334243 0.487219 1.282892 -0.710182 -0.010035 0.043641 0.020914 0.049423 -0.001884 -0.016426 0.012226 -0.014326 -0.028401 -0.024766 0.003364 0.021402 1.851969 1.459435 -0.079083 -0.078269 2.361124 0.406635 1.735349 0.000048 108 H 17.904345 22.554315 10.873883 0.090769 1.387106 0.11128706E+02 0.11977362E+03 2.106439 1.992657 -1.516101 2.143846 0.991299 4.188072 12.659590 0.425341 1.337987 -0.694512 -0.021132 -0.031387 0.034738 0.051366 0.019533 -0.004652 -0.010187 -0.010222 0.048917 -0.028498 0.003141 0.025356 2.106129 1.942245 0.265167 -0.302173 1.999739 -0.217000 2.376403 0.000104 109 H 16.046656 11.148276 16.428555 0.115347 1.118862 0.80362786E+01 0.79303035E+02 1.792940 1.668193 -1.204213 2.304531 0.995726 3.670811 10.440035 0.477972 1.298580 -0.703493 0.031961 -0.001829 -0.029274 0.043380 -0.002609 -0.022205 -0.013866 -0.016507 0.001337 -0.029887 0.005432 0.024455 1.834982 2.072845 -0.253671 -0.506136 1.499943 0.095314 1.932157 0.000014 110 H 4.102549 13.642377 0.645840 0.125638 1.233709 0.90421996E+01 0.93301705E+02 2.007145 1.834879 -1.528340 2.148817 0.992392 4.126644 12.609771 0.425127 1.396279 -0.680469 -0.044277 0.006103 -0.010033 0.045807 0.007314 0.010394 0.008864 0.016854 -0.045032 -0.020510 -0.002574 0.023084 2.102571 2.359115 -0.432775 0.200001 2.202441 -0.366047 1.746156 0.000371 111 H 4.048018 11.222263 1.255800 0.121851 1.068157 0.77076338E+01 0.75000911E+02 1.725697 1.625672 -0.985352 2.412043 0.998368 3.456514 9.648312 0.489536 1.285808 -0.707765 -0.038638 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-0.867471 2.474451 0.999128 3.242942 8.738199 0.511706 1.212840 -0.727553 -0.001833 -0.038287 -0.007166 0.038995 0.002178 -0.001022 0.006208 -0.030130 0.019385 -0.018543 0.002584 0.015959 1.743534 1.431561 0.045213 -0.065049 2.207403 -0.146020 1.591639 0.000041 115 H 9.835575 2.685038 10.786425 0.124964 1.113300 0.85670239E+01 0.84518323E+02 1.707601 1.664704 -0.867688 2.471530 0.999221 3.259320 8.789340 0.511811 1.213041 -0.727304 0.000516 0.023579 0.028279 0.036823 0.003036 0.000096 0.004910 -0.032251 0.012954 -0.018574 0.002314 0.016259 1.695713 1.437349 -0.000524 -0.015855 1.582332 0.104314 2.067460 0.000203 116 H 10.055516 3.885548 8.833208 0.098403 1.147431 0.87648981E+01 0.89077056E+02 1.876537 1.781077 -1.307079 2.245668 0.992845 3.964673 11.735959 0.444056 1.357218 -0.690405 0.003911 0.035224 0.008055 0.036344 0.001152 -0.000541 0.012564 -0.024322 0.037235 -0.018473 -0.003684 0.022157 1.938564 1.640162 0.125641 0.001091 2.586833 -0.139540 1.588698 0.000172 117 H 10.402697 12.704404 1.394835 0.128608 1.118225 0.83437917E+01 0.82348448E+02 1.762461 1.679584 -0.840120 2.491613 0.999286 3.306658 9.124869 0.489489 1.267860 -0.714298 0.008603 0.037981 0.000857 0.038952 0.002237 -0.001800 0.003885 -0.027926 0.017860 -0.017312 0.004171 0.013141 1.785569 1.503764 0.078707 0.089918 2.254398 -0.211215 1.598545 0.000016 118 H 10.453593 8.131487 1.706543 0.091358 1.173029 0.89400640E+01 0.91545115E+02 1.915376 1.804991 -1.462642 2.166138 0.991025 4.140724 12.408149 0.437694 1.366598 -0.687430 0.004121 -0.035187 -0.005304 0.035823 -0.002862 0.000330 0.012682 -0.024199 0.037134 -0.018753 -0.003535 0.022287 1.990155 1.659724 -0.105142 0.044427 2.642215 -0.263554 1.668525 0.000049 119 H 10.371796 11.706764 3.484845 0.114183 1.256439 0.96938655E+01 0.99001776E+02 1.865726 1.779286 -1.128068 2.341997 0.996640 3.534023 9.814424 0.489705 1.224689 -0.722886 -0.000476 0.024401 0.029785 0.038507 -0.000676 -0.000151 0.008572 -0.032854 -0.009021 -0.014937 -0.006068 0.021005 1.890324 1.589100 0.059314 0.111644 1.782058 0.287242 2.299813 0.000050 120 H 10.260917 9.093327 22.077413 0.126061 1.056086 0.80526410E+01 0.78151428E+02 1.640556 1.607562 -0.814858 2.498610 0.999554 3.197953 8.527771 0.524420 1.203451 -0.729419 -0.000541 -0.027288 -0.025570 0.037400 -0.002558 0.000985 0.004613 -0.033657 0.009862 -0.018748 0.001859 0.016890 1.624072 1.389046 0.001204 0.021668 1.563657 0.169249 1.919512 0.000035 121 H 16.459273 4.362888 14.993355 0.123186 1.028604 0.73707450E+01 0.70902187E+02 1.688751 1.593878 -0.892080 2.464942 0.998719 3.357494 9.308006 0.492638 1.292499 -0.707083 0.006984 0.017254 0.038539 0.042799 0.001988 -0.001553 0.000113 -0.028639 0.050590 -0.022950 0.006025 0.016924 1.746756 1.430829 0.149412 0.173588 1.742959 0.442022 2.066479 0.000082 122 H 15.772183 2.131323 15.092025 0.135411 1.006659 0.73005433E+01 0.69982694E+02 1.664501 1.586420 -0.848522 2.495262 0.999462 3.261620 8.994375 0.494263 1.292744 -0.707821 0.000094 -0.014111 0.038960 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16.891886 21.119908 4.164323 0.230908 36.265017 0.35792255E+03 0.81113545E+04 10.097093 6.622682 -0.346276 1.905244 0.998870 26.348646 77.316210 0.588155 0.459526 -1.026039 0.002084 -0.019393 0.015728 0.025056 0.001595 0.002882 -0.015436 0.025819 -0.018875 -0.023804 0.007374 0.016429 14.118313 5.713928 -0.013912 -0.502861 12.240166 -7.088459 24.400845 0.000151 198 C 17.264515 14.971769 6.261060 0.214189 36.988263 0.38046627E+03 0.87466699E+04 10.220696 6.820330 -0.365662 1.898282 0.999353 26.774088 78.886080 0.581104 0.458486 -1.027589 -0.004671 0.019783 -0.016415 0.026128 0.002324 0.007622 -0.012294 0.000523 -0.000865 -0.015682 0.002334 0.013348 14.111473 5.895780 -0.892014 0.969181 13.474704 -7.904312 22.963935 0.000292 199 C 17.366306 14.282013 7.534800 0.033050 37.117616 0.44925319E+03 0.10693130E+05 9.986934 7.262180 -0.366447 1.895514 0.997800 27.927731 81.885516 0.584545 0.440224 -1.045175 0.002783 -0.002489 0.016841 0.017250 -0.005976 0.000195 -0.001184 -0.032242 0.025263 -0.021403 0.008125 0.013279 12.913068 5.869103 -0.557790 0.642002 12.877883 -6.029213 19.992220 0.000467 200 C 17.500816 12.902500 7.474253 -0.119433 34.035624 0.46479162E+03 0.11194312E+05 9.370629 7.352665 -0.191199 1.907902 0.998849 30.571311 91.144649 0.583048 0.436177 -1.044139 0.005799 -0.008423 0.029853 0.031556 0.007223 0.004388 0.016930 -0.016972 0.020263 -0.014882 -0.009826 0.024709 11.111276 5.724221 -0.428370 0.528205 12.400433 -4.876642 15.209174 0.001681 201 C 17.606242 12.143530 8.671748 -0.198887 33.547144 0.45885607E+03 0.10940599E+05 9.014147 7.112838 0.131745 2.002378 0.999829 30.480826 88.414936 0.621299 0.413467 -1.065473 0.001553 0.012997 -0.038759 0.040910 -0.010025 0.002530 0.006612 -0.070395 -0.051791 -0.029008 -0.016832 0.045840 10.573748 5.378945 -0.421495 1.117596 10.496577 -4.380273 15.845722 -0.000037 202 C 17.622601 12.792712 9.878213 0.152522 36.478446 0.39924413E+03 0.91602423E+04 9.747730 6.759964 0.063644 2.032089 0.999552 26.042036 73.222212 0.621951 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38.300534 0.45052413E+03 0.10723601E+05 10.179639 7.263247 -0.370972 1.893489 0.998181 27.851946 81.481434 0.586015 0.439112 -1.046554 -0.001937 0.002855 -0.013389 0.013827 0.000930 -0.000386 0.000398 -0.033121 0.025675 -0.020871 0.008524 0.012347 13.370384 6.003005 0.223140 -0.962414 12.795495 -6.245250 21.312651 0.000317 206 C 16.930058 23.711865 1.464353 -0.200330 33.386709 0.45775113E+03 0.10932299E+05 9.032043 7.144722 0.111775 1.996823 0.999629 30.574333 89.415582 0.613270 0.418189 -1.060060 -0.017633 -0.012819 0.039813 0.045391 -0.001846 0.002592 -0.005459 -0.062057 -0.067746 -0.024339 -0.018504 0.042843 10.489069 5.815012 0.124967 -1.936799 10.002689 -3.543778 15.649507 0.000168 207 C 16.888251 20.991027 1.652723 -0.095517 32.563300 0.45859177E+03 0.11062042E+05 9.218801 7.397311 -0.449747 1.832131 0.997926 30.686225 93.035017 0.567472 0.447458 -1.032423 0.004006 0.025981 -0.019805 0.032913 -0.002263 -0.001596 0.019337 -0.022000 -0.063140 -0.028535 -0.000703 0.029238 10.826373 6.061003 0.773170 -1.291249 11.127325 -3.602761 15.290791 0.000527 208 C 17.048208 22.957667 0.327405 0.160553 35.386735 0.39650898E+03 0.90912083E+04 9.579712 6.767057 0.011984 2.019132 0.999642 25.975656 73.255980 0.616822 0.433090 -1.055962 0.003863 0.015257 -0.033949 0.037420 0.003253 -0.001219 -0.031371 -0.057743 0.158641 -0.055497 -0.012464 0.067961 12.637344 6.142709 1.790724 -3.322711 12.723927 -6.748194 19.045395 0.000315 209 C 16.906428 23.108029 2.722395 -0.130486 33.968703 0.45734832E+03 0.10965633E+05 9.313576 7.264813 -0.102628 1.934586 0.999016 30.524316 90.663916 0.590319 0.432746 -1.046683 -0.004275 0.002500 -0.031923 0.032305 0.000343 0.006013 0.020903 -0.013469 0.011310 -0.018378 -0.007422 0.025800 11.015722 5.862499 0.265327 -1.392999 11.939816 -4.535807 15.244852 0.000268 210 C 16.982771 21.554288 0.417105 -0.184199 32.442949 0.45241762E+03 0.10766202E+05 8.879464 7.119266 0.082158 1.994324 0.999268 30.180372 87.915468 0.612662 0.420109 -1.059545 -0.000724 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0.10817519E+05 9.077783 7.118289 0.207438 2.033869 0.999663 29.995594 87.066602 0.615665 0.418031 -1.062028 -0.030815 0.030823 0.005184 0.043891 -0.001770 0.002688 -0.017323 -0.001444 0.126707 -0.025203 -0.021639 0.046843 10.455382 6.631652 -3.934029 -1.126649 13.788297 1.811921 10.946196 0.002613 214 C 10.309994 17.797622 12.809160 0.244553 35.356422 0.33256432E+03 0.73708974E+04 9.785811 6.316238 -0.057686 2.006460 0.999399 25.300958 72.498273 0.614312 0.449855 -1.035510 -0.013298 0.023218 -0.009013 0.028234 0.017067 0.051018 0.020413 -0.023875 0.146056 -0.061239 -0.018558 0.079796 13.103533 11.202664 -4.816079 -3.323732 20.614000 -0.888536 7.493934 0.001253 215 C 17.199077 12.332079 12.338235 -0.143313 31.116833 0.40586549E+03 0.93675955E+04 8.506086 6.638662 0.545416 2.140286 0.999732 29.162584 82.731081 0.651703 0.407202 -1.071508 0.006985 -0.004798 -0.061153 0.061738 -0.047543 -0.043289 0.009078 -0.017568 0.132277 -0.077268 0.002938 0.074330 9.804213 8.173523 -3.448535 0.250457 9.633437 -3.443717 11.605679 0.000283 216 C 0.267202 10.904832 11.223712 0.062843 27.188582 0.32861090E+03 0.72736171E+04 8.060514 6.156662 0.172145 2.065755 0.998815 26.937610 77.556922 0.639731 0.432554 -1.043975 -0.025837 0.007078 0.028608 0.039192 -0.015944 -0.010679 0.016218 0.012161 -0.005270 -0.021038 -0.007882 0.028920 9.707521 6.711861 -3.010059 0.891289 10.282594 -4.169608 12.128107 0.000424 217 C 11.658728 13.802286 13.076018 0.142775 34.066586 0.40927085E+03 0.94692080E+04 9.344068 6.898394 0.030299 2.025456 0.999659 26.334587 74.883563 0.607137 0.436030 -1.052977 0.006710 -0.038904 0.006115 0.039949 -0.045174 -0.010801 -0.005631 -0.091313 -0.107259 -0.054293 -0.027822 0.082115 11.383232 7.068147 -5.128629 -1.425214 16.540340 2.356280 10.541210 0.008451 218 C 10.980726 15.685392 11.779853 -0.136303 33.652094 0.46807363E+03 0.11295362E+05 9.220423 7.333864 -0.141328 1.914814 0.999290 30.965783 92.468427 0.589030 0.430906 -1.047117 -0.007349 -0.034988 0.011260 0.037483 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2.008402 0.999399 25.390894 72.780522 0.608311 0.450611 -1.036258 0.006948 0.027462 0.011840 0.030702 -0.015417 0.050976 -0.015279 0.005733 0.083770 -0.046800 -0.021545 0.068344 14.959383 9.348536 4.276347 -2.555099 26.357154 3.706350 9.172459 0.012911 222 C 13.956301 16.000437 7.503405 -0.125061 34.208267 0.47038201E+03 0.11360217E+05 9.373820 7.391927 -0.185635 1.903282 0.999059 30.829653 91.971516 0.582203 0.435608 -1.044723 0.013410 -0.035548 0.001167 0.038011 -0.011592 0.003930 -0.024203 -0.024111 0.092643 -0.032786 -0.011713 0.044500 10.985561 6.140788 3.253211 0.405441 16.140579 1.608482 10.675318 0.004251 223 C 14.218049 16.427656 8.813025 0.009818 40.702157 0.45671939E+03 0.10853834E+05 10.417819 7.196359 -0.247783 1.922505 0.998708 27.904825 80.249833 0.606129 0.425214 -1.060291 0.002923 -0.023891 -0.001542 0.024119 0.011562 -0.004823 0.013622 -0.054266 -0.002208 -0.031118 -0.003226 0.034344 13.851612 6.633523 4.158945 0.072692 24.240007 1.462277 10.681305 0.018568 224 C 14.183513 15.525484 9.867000 -0.138579 33.513205 0.45563367E+03 0.10923189E+05 9.192321 7.232723 -0.133874 1.921075 0.999090 30.729468 91.511624 0.593408 0.430546 -1.047162 0.001991 -0.027922 -0.021123 0.035068 0.014265 0.019805 0.014068 0.004904 0.077501 -0.027513 -0.013308 0.040821 10.744662 6.005721 2.597815 -0.515600 17.052940 -0.486078 9.175325 0.015580 225 C 13.914493 14.191318 9.600143 -0.177219 33.947802 0.46997679E+03 0.11336716E+05 9.237396 7.323773 -0.070185 1.941936 0.998981 30.820134 91.589808 0.593295 0.427981 -1.050390 0.018870 0.042855 0.006909 0.047333 -0.007850 -0.003132 -0.030980 0.004396 0.000619 -0.033770 0.003442 0.030328 10.690941 6.262874 2.986814 0.548107 15.565445 1.248335 10.244506 0.000686 226 C 13.629115 13.768872 8.346585 0.158098 34.507590 0.38496051E+03 0.87863714E+04 9.456373 6.720373 0.009405 2.028260 0.999656 25.805186 73.286974 0.609973 0.439949 -1.048838 -0.006740 -0.036358 -0.013758 0.039454 0.021537 -0.003482 0.016862 -0.095842 -0.087155 -0.042371 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0.10663374E+05 9.218594 7.215153 -0.149531 1.924462 0.998893 30.177629 89.628759 0.587818 0.436763 -1.043490 0.010325 -0.027438 -0.007453 0.030249 -0.008562 0.006785 0.017161 -0.008412 0.085766 -0.028103 -0.007213 0.035316 10.742167 6.353915 3.302739 0.333612 15.276161 -1.624849 10.596424 0.000289 233 C 2.017647 16.663939 6.790290 -0.101168 31.519670 0.43394545E+03 0.10260622E+05 8.844255 7.093280 -0.104699 1.944855 0.999263 29.574066 87.005823 0.595768 0.434801 -1.046275 -0.002231 -0.028652 -0.004879 0.029150 0.016695 0.009666 -0.014463 -0.010666 0.027452 -0.029214 0.008910 0.020305 9.825608 6.455671 -3.289978 -0.363164 12.050778 1.265680 10.970374 0.000160 234 C 4.082554 13.654311 13.798103 0.168610 36.222804 0.37956373E+03 0.86200930E+04 9.728577 6.651428 -0.004613 2.023757 0.999681 25.580950 72.124848 0.617025 0.437096 -1.052078 0.003569 -0.043303 0.011011 0.044823 0.024960 0.008002 -0.022170 -0.080506 -0.037474 -0.047216 -0.011661 0.058877 12.707559 7.348290 5.993681 0.118602 20.924370 -1.625447 9.850016 0.000522 235 C 4.377022 14.542163 14.813955 -0.171821 33.855331 0.43449041E+03 0.10266922E+05 9.182361 7.023485 0.023523 1.979427 0.999132 30.069040 88.158247 0.608821 0.425752 -1.052796 0.026245 0.029332 -0.011266 0.040940 -0.004353 -0.001249 -0.012316 0.013157 0.106893 -0.028035 -0.010028 0.038063 10.833396 6.585038 4.294041 0.617782 16.008868 0.081595 9.906281 0.000085 236 C 2.770175 11.644709 13.423605 0.087456 28.102356 0.30857583E+03 0.67178775E+04 8.199267 5.938212 0.312042 2.114529 0.999789 26.260201 74.775180 0.656531 0.428529 -1.047306 0.032226 -0.026178 0.034070 0.053708 -0.006879 -0.003639 -0.000631 0.060452 0.047797 -0.038985 0.014482 0.024503 10.037836 10.475523 3.428237 3.263661 12.734035 -1.175693 6.903951 0.000131 237 C 2.904685 14.496816 7.227578 0.180702 33.110828 0.37987997E+03 0.86279411E+04 9.142214 6.651840 -0.055498 2.006568 0.999634 25.569902 72.065632 0.617415 0.436786 -1.052403 -0.001574 -0.035379 -0.016605 0.039113 -0.035328 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2.098559 0.999846 29.359177 84.033912 0.636122 0.411261 -1.068276 -0.018049 0.053195 -0.035328 0.066359 -0.008816 0.066081 -0.034461 -0.013223 -0.065252 -0.080870 0.006886 0.073984 10.127930 10.133710 3.345226 3.096846 12.253547 -1.112922 7.996534 0.000112 241 C 2.513879 15.472976 6.323850 -0.165539 31.525928 0.42933692E+03 0.10089844E+05 8.708073 6.966548 0.103020 2.011365 0.999199 29.539953 85.672970 0.614825 0.423905 -1.056561 -0.032732 0.025472 0.001772 0.041513 0.002925 0.003711 0.003635 0.006341 0.091395 -0.019633 -0.011457 0.031091 9.610790 6.602648 -3.863562 -0.213230 12.531602 0.305463 9.698121 0.000049 242 C 4.449730 15.449109 12.237323 -0.131420 35.117066 0.46232060E+03 0.11140149E+05 9.523753 7.326355 -0.168767 1.909010 0.998995 30.957377 92.866206 0.583841 0.435375 -1.042726 0.008036 -0.033522 0.016953 0.038415 0.009787 -0.006954 -0.009374 0.009476 0.103274 -0.028400 -0.009002 0.037402 11.020743 6.693536 3.095757 1.736154 15.914842 -0.520449 10.453851 0.000158 243 C 13.603667 14.659111 7.256730 -0.182943 34.046416 0.46473072E+03 0.11121890E+05 9.140667 7.198723 0.193037 2.027257 0.999674 30.343503 88.333772 0.612052 0.418158 -1.061906 0.023278 0.030680 -0.001762 0.038552 0.015015 0.006980 0.011685 -0.006620 0.116639 -0.034868 -0.007935 0.042802 10.634015 6.010661 3.474981 0.347337 15.534577 0.017570 10.356808 0.009014 244 C 5.194987 17.687834 12.970620 0.259613 35.521064 0.32864238E+03 0.72687426E+04 9.828406 6.294931 -0.075965 2.001897 0.999401 25.228485 72.421155 0.612464 0.452157 -1.033287 0.005590 0.023793 -0.009729 0.026306 -0.011718 -0.047935 0.027060 -0.016050 0.119519 -0.052882 -0.021775 0.074657 13.199964 10.351994 3.840943 2.784082 21.288412 -2.916865 7.959487 0.000134 245 C 4.825994 16.320255 13.262145 0.013113 40.698536 0.46032826E+03 0.10967439E+05 10.419970 7.258183 -0.267100 1.919837 0.998623 27.853549 80.354775 0.599031 0.429160 -1.057238 0.013906 -0.019610 0.008673 0.025556 0.011549 0.003602 -0.005658 -0.033866 -0.009513 -0.020461 -0.002365 0.022826 13.297203 7.304676 4.688538 0.771657 21.754910 -2.045200 10.832022 0.000458 246 C 4.293407 12.513468 7.330733 0.048811 27.347249 0.33700564E+03 0.74826144E+04 7.980638 6.189137 0.143938 2.043678 0.999485 27.230343 77.704215 0.647196 0.426240 -1.051182 -0.027723 -0.019176 -0.028789 0.044330 0.011029 0.021609 -0.003138 0.062124 0.082671 -0.047408 0.002557 0.044851 8.796453 9.133172 -2.550163 3.091286 8.764794 1.494150 8.491391 0.000085 247 C 2.813800 14.687752 8.595503 -0.186929 33.198937 0.46358589E+03 0.11117878E+05 9.060906 7.264369 0.038724 1.982658 0.998861 30.387247 89.345238 0.598298 0.426871 -1.053574 -0.026051 0.023911 0.025666 0.043693 -0.003212 0.009656 -0.020064 -0.013962 -0.000239 -0.019527 -0.006634 0.026161 9.925192 6.511714 -3.311876 -0.289876 11.948898 1.830639 11.314963 0.000112 248 C 4.133450 14.131651 12.481755 -0.189968 34.484490 0.46770989E+03 0.11231807E+05 9.259389 7.259229 0.092550 1.991989 0.999407 30.600889 89.776559 0.603667 0.422509 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0.42773790E+03 0.10068464E+05 8.927425 6.962522 0.002316 1.966097 0.999629 29.698248 86.920444 0.612257 0.424998 -1.053199 -0.058982 -0.018616 -0.042596 0.075099 -0.006395 0.038748 -0.032858 -0.025638 -0.041222 -0.054893 0.001601 0.053292 10.385438 8.579105 2.529702 2.003986 14.906209 -2.122428 7.670999 0.000074 252 C 18.078844 0.847279 21.371025 0.043363 28.640263 0.36320950E+03 0.82663393E+04 8.420773 6.531662 -0.069574 1.974629 0.998331 28.154260 82.952683 0.610982 0.440475 -1.036337 -0.031702 -0.011872 -0.036940 0.050105 0.014508 0.006032 0.011297 0.003395 -0.019722 -0.015541 -0.007350 0.022891 9.897741 7.285307 3.570095 -1.301546 10.241474 -3.025878 12.166443 0.000238 253 C 2.824706 12.465734 5.783408 -0.158586 32.338743 0.44776180E+03 0.10627116E+05 8.822407 7.068161 0.309501 2.057875 0.999713 30.239660 87.950292 0.616795 0.418405 -1.060700 0.023368 0.039886 0.054709 0.071624 -0.003020 0.074601 0.040680 -0.004960 -0.002565 -0.087138 0.004309 0.082829 9.530263 9.265956 -2.708834 2.663701 9.970224 2.014643 9.354610 0.000065 254 C 11.342448 11.267611 13.078260 0.087695 27.711954 0.35808598E+03 0.80355694E+04 8.082771 6.395072 0.367303 2.127978 0.999284 26.621570 75.245824 0.637297 0.428287 -1.054708 0.046268 -0.014477 -0.008230 0.049173 0.020547 -0.013387 0.004656 0.009074 -0.119394 -0.043845 0.002179 0.041666 9.022040 11.393037 -1.420358 -2.755322 9.741504 1.854648 5.931577 0.010185 255 C 13.372819 10.711510 12.228353 -0.125280 36.674571 0.46599044E+03 0.11306263E+05 9.803138 7.255542 -0.200393 1.886317 0.999109 32.163959 98.386833 0.595895 0.423637 -1.044725 -0.025473 -0.021350 0.030674 0.045228 -0.006855 -0.033838 -0.034744 0.088393 -0.042585 -0.067967 0.001751 0.066216 11.624824 10.582506 -2.287645 -1.746457 16.650668 4.876352 7.641298 0.001754 256 C 13.403720 12.071929 12.571455 -0.085486 32.444247 0.44421710E+03 0.10518348E+05 8.961638 7.105209 0.264412 2.060599 0.999302 29.320003 85.077744 0.606966 0.426177 -1.056203 -0.048641 0.004946 0.020293 0.052936 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1.895515 0.997800 27.927836 81.885877 0.584546 0.440224 -1.045175 -0.002790 0.002491 0.016841 0.017252 -0.005976 -0.000196 0.001185 -0.032247 0.025272 -0.021407 0.008127 0.013280 12.913124 5.869117 -0.557792 -0.642008 12.877939 6.029255 19.992316 0.000419 260 C 0.676184 10.964500 18.686753 -0.119441 34.035966 0.46479672E+03 0.11194468E+05 9.370694 7.352706 -0.191204 1.907897 0.998849 30.571524 91.145505 0.583046 0.436177 -1.044138 -0.005803 0.008421 0.029854 0.031557 0.007224 -0.004389 -0.016930 -0.016979 0.020271 -0.014886 -0.009826 0.024712 11.111364 5.724256 -0.428371 -0.528212 12.400530 4.876700 15.209307 0.001555 261 C 0.570758 11.723470 19.884248 -0.198888 33.547268 0.45885749E+03 0.10940644E+05 9.014169 7.112848 0.131744 2.002377 0.999829 30.480916 88.415325 0.621299 0.413467 -1.065473 -0.001558 -0.012998 -0.038759 0.040910 -0.010025 -0.002531 -0.006613 -0.070398 -0.051795 -0.029009 -0.016833 0.045842 10.573783 5.378954 -0.421497 -1.117601 10.496621 4.380295 15.845775 -0.000066 262 C 0.554399 11.074288 21.090713 0.152519 36.478586 0.39924511E+03 0.91602738E+04 9.747763 6.759978 0.063632 2.032085 0.999552 26.042092 73.222488 0.621949 0.429222 -1.059422 -0.001036 0.014163 0.028088 0.031473 -0.018593 0.000630 0.039381 -0.059862 0.123026 -0.057395 -0.011096 0.068491 13.348853 5.818568 -1.650311 -2.235748 14.451100 8.272012 19.776891 0.000994 263 C 0.723445 9.680455 21.173685 -0.193856 33.423405 0.46095121E+03 0.11017127E+05 9.044451 7.170125 0.102987 1.996105 0.999464 30.443076 88.781406 0.612721 0.418244 -1.061063 0.003648 -0.019742 -0.022974 0.030510 0.005669 -0.000134 -0.025970 -0.033292 0.048184 -0.026318 -0.012486 0.038805 10.770321 5.658227 -1.076650 -1.034137 12.991343 5.513523 13.661394 0.000987 264 C 0.850684 8.969219 20.003100 -0.096636 32.525449 0.45796854E+03 0.11023213E+05 9.156606 7.356895 -0.387413 1.852891 0.997835 30.465001 91.718965 0.574181 0.443185 -1.036784 -0.002279 0.025582 0.014638 0.029561 0.001539 -0.001657 -0.018964 -0.023272 -0.041765 -0.022684 -0.004770 0.027453 10.788973 5.961077 -0.743821 -0.569891 11.648917 3.941578 14.756924 0.000483 265 C 1.277843 2.148030 14.064960 0.033300 38.300544 0.45052470E+03 0.10723619E+05 10.179644 7.263255 -0.370972 1.893489 0.998181 27.851968 81.481539 0.586014 0.439112 -1.046553 0.001937 -0.002855 -0.013389 0.013827 0.000931 0.000386 -0.000398 -0.033121 0.025676 -0.020871 0.008524 0.012347 13.370388 6.003012 0.223148 0.962421 12.795506 6.245254 21.312645 0.000327 266 C 1.246942 0.155136 12.676853 -0.200327 33.386699 0.45775081E+03 0.10932290E+05 9.032046 7.144723 0.111769 1.996822 0.999629 30.574310 89.415544 0.613269 0.418189 -1.060060 0.017632 0.012819 0.039813 0.045390 -0.001845 -0.002593 0.005460 -0.062056 -0.067748 -0.024340 -0.018503 0.042843 10.489075 5.815019 0.124973 1.936806 10.002680 3.543780 15.649525 0.000194 267 C 1.288749 2.875974 12.865223 -0.095517 32.563311 0.45859237E+03 0.11062061E+05 9.218803 7.397315 -0.449749 1.832130 0.997926 30.686265 93.035176 0.567472 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0.45241877E+03 0.10766238E+05 8.879477 7.119277 0.082151 1.994322 0.999268 30.180403 87.915623 0.612661 0.420109 -1.059545 0.000724 0.022957 0.026714 0.035230 0.000861 0.002014 -0.030512 -0.039157 0.019664 -0.023859 -0.018474 0.042333 10.351730 5.616657 1.014832 1.290285 11.804121 4.816022 13.634412 0.000254 271 C 7.418034 7.444117 1.731210 0.013202 39.348425 0.46114254E+03 0.10994912E+05 10.180147 7.254451 -0.296324 1.905875 0.998786 28.013888 80.924346 0.600267 0.427962 -1.057668 0.012694 0.022016 0.006989 0.026356 -0.016347 0.003347 0.007163 -0.034998 -0.017363 -0.023033 -0.004707 0.027740 12.727527 7.203927 -4.768277 1.070841 20.603557 -0.204442 10.375097 0.006923 272 C 7.218087 8.050339 2.998223 -0.119331 33.006401 0.46770214E+03 0.11259076E+05 9.126696 7.371613 -0.141623 1.924441 0.998823 30.325730 89.792420 0.583963 0.435699 -1.046551 0.010300 0.034094 -0.005509 0.036040 0.002928 0.004322 -0.011662 -0.028023 0.117930 -0.034405 -0.007913 0.042318 10.257421 6.432193 -3.333369 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10.970359 0.000147 414 C 13.171054 22.146189 2.585603 0.168611 36.222609 0.37956200E+03 0.86200447E+04 9.728554 6.651422 -0.004619 2.023755 0.999681 25.580861 72.124576 0.617024 0.437097 -1.052078 0.003568 0.043305 0.011012 0.044826 -0.024957 0.008001 0.022170 -0.080495 -0.037485 -0.047209 -0.011663 0.058872 12.707515 7.348269 -5.993651 0.118594 20.924283 1.625460 9.849992 0.000504 415 C 13.465522 21.258337 3.601455 -0.171818 33.854909 0.43448475E+03 0.10266746E+05 9.182270 7.023433 0.023526 1.979431 0.999132 30.068779 88.157063 0.608825 0.425751 -1.052797 0.026244 -0.029335 -0.011264 0.040941 0.004356 -0.001251 0.012312 0.013159 0.106883 -0.028035 -0.010023 0.038058 10.833270 6.584971 -4.293974 0.617773 16.008658 -0.081589 9.906182 0.000098 416 C 11.858675 0.288791 2.211105 0.087455 28.102315 0.30857551E+03 0.67178686E+04 8.199260 5.938210 0.312045 2.114530 0.999789 26.260177 74.775090 0.656531 0.428530 -1.047305 0.032225 0.026178 0.034071 0.053708 0.006880 -0.003640 0.000630 0.060452 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15.166889 22.148576 12.542303 -0.307735 42.628991 0.61378819E+03 0.15514597E+05 10.179833 7.953448 0.086935 1.998396 0.999721 31.021244 88.408244 0.626990 0.386477 -1.099259 -0.071876 0.163648 0.010305 0.179033 0.048619 0.018065 0.023722 0.194567 0.045094 -0.118997 0.011894 0.107103 11.908387 11.567951 3.822812 3.409655 14.956996 5.050475 9.200214 0.001894 545 N 13.676375 17.270161 0.917183 -0.239814 48.999752 0.54198145E+03 0.13324172E+05 11.309614 7.534525 -0.046355 1.981547 0.999292 29.540331 83.931942 0.634296 0.392788 -1.091186 0.084906 -0.048317 0.038387 0.104962 0.006909 -0.003074 0.001952 -0.023399 -0.007491 -0.013448 -0.001455 0.014904 15.121100 17.973294 -0.352534 9.702219 13.404960 2.241761 13.985048 0.000156 546 N 10.858940 16.967050 20.909070 -0.218399 45.621860 0.50665552E+03 0.12248305E+05 10.788816 7.288343 -0.047459 1.989764 0.999325 28.868340 81.352347 0.644417 0.393166 -1.090861 -0.070264 -0.057888 -0.043203 0.100770 -0.007850 -0.008063 0.004300 -0.013318 -0.042639 -0.017801 -0.001265 0.019066 14.246272 16.525131 3.337666 8.421475 12.008978 -1.191143 14.204707 0.000150 547 N 10.086417 15.873942 20.983073 -0.091252 31.770204 0.42193999E+03 0.96673631E+04 8.363741 6.591004 0.572835 2.188641 0.999760 26.983424 72.136422 0.692413 0.386086 -1.104543 0.004746 0.218354 -0.211217 0.303831 0.039264 -0.010268 0.154151 0.124004 -0.221065 -0.209097 0.081416 0.127681 9.894122 10.572785 3.775550 3.157963 11.332751 -0.702305 7.776829 0.000249 548 N 9.237551 15.900195 20.016555 0.003408 32.875760 0.40054443E+03 0.90488720E+04 8.605101 6.401209 0.142919 2.088383 0.999673 25.247976 66.790239 0.706737 0.383623 -1.107493 0.100087 0.117639 -0.013489 0.155043 -0.043972 -0.018229 -0.008476 -0.016690 0.009807 -0.053128 0.009292 0.043836 11.004169 12.081340 5.070419 3.069633 13.216215 -0.469954 7.714952 -0.000214 549 N 9.397509 17.048198 19.292227 -0.239007 39.949003 0.53524341E+03 0.13035832E+05 9.811245 7.466830 0.141385 2.051249 0.999467 28.638611 79.355514 0.643823 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0.41336933E+03 0.94107236E+04 8.490932 6.540057 0.329924 2.154750 0.999395 25.413420 67.445954 0.693370 0.388022 -1.104547 0.002940 0.012887 -0.164402 0.164932 0.005427 -0.005475 0.014364 -0.005244 -0.143063 -0.050938 0.019798 0.031140 10.649741 5.106429 0.542340 -0.246338 9.494629 -0.183621 17.348164 0.000002 553 N 15.325029 17.525538 2.305290 -0.232422 41.514945 0.53106861E+03 0.12917235E+05 10.054178 7.424401 0.166735 2.058718 0.999643 28.626941 79.439415 0.646969 0.389227 -1.099806 -0.034276 -0.080273 -0.074221 0.114575 -0.015932 -0.034570 -0.003420 -0.034102 -0.071173 -0.052183 0.014639 0.037545 12.787420 14.653022 -3.211757 5.347136 14.545730 0.352953 9.163508 0.000107 554 N 15.352294 16.243880 1.800728 -0.011506 34.929350 0.43335991E+03 0.99894406E+04 9.001992 6.699581 -0.000073 2.041916 0.998924 25.756139 68.927437 0.684126 0.388399 -1.103567 -0.087070 0.129211 -0.009842 0.156120 0.040063 -0.014911 0.005204 -0.028637 -0.002055 -0.047184 0.003843 0.043342 11.473726 12.242581 -4.196752 3.563711 14.834471 -0.605766 7.344124 -0.000134 555 N 14.376189 16.103065 0.930638 -0.097710 32.813003 0.45713946E+03 0.10703806E+05 8.589620 6.903502 0.331426 2.101752 0.999810 27.830917 75.630041 0.669106 0.390950 -1.099235 0.039349 0.251841 0.151003 0.296267 -0.069759 -0.012382 -0.144998 0.161378 -0.021763 -0.204954 0.069463 0.135491 9.986248 10.960401 -2.541030 3.992730 11.284854 -0.144424 7.713488 0.000143 556 N 8.308707 21.473140 16.302975 -0.288873 37.037124 0.53412442E+03 0.12972922E+05 9.198598 7.402319 0.567804 2.168050 0.999738 29.286158 80.452585 0.655521 0.384702 -1.106197 -0.049543 -0.230349 0.001321 0.235620 -0.039693 0.019054 0.077220 0.195738 0.320781 -0.180999 0.051968 0.129031 10.955330 5.816568 0.496715 0.746506 9.194060 1.501770 17.855362 0.000115 557 N 7.961526 19.382391 15.892598 -0.059327 35.306974 0.45882981E+03 0.10764035E+05 9.057792 6.912629 0.224508 2.092707 0.999766 26.917609 73.457397 0.668523 0.390541 -1.098427 0.021017 0.124692 0.095662 0.158559 -0.012308 -0.003489 -0.027521 0.033637 0.122694 -0.049546 -0.000072 0.049618 11.481326 5.301105 0.690807 0.475902 13.164708 3.481972 15.978165 0.000061 558 N 7.961526 19.492179 17.240340 -0.237362 41.868593 0.58050777E+03 0.14471930E+05 10.064105 7.772127 0.077756 2.017802 0.999348 29.703546 84.100829 0.629629 0.390214 -1.096494 0.013869 0.051021 -0.096380 0.109929 -0.012353 0.009785 0.028116 -0.009504 0.110732 -0.040133 -0.009518 0.049651 12.295653 6.023991 1.120765 0.145660 15.715944 0.941694 15.147024 0.000131 559 N 1.795888 17.143666 0.731055 -0.218989 45.362263 0.51976455E+03 0.12631173E+05 10.671160 7.343406 -0.124285 1.960485 0.999050 29.102873 81.919803 0.647813 0.389063 -1.094985 -0.082564 -0.042280 0.031959 0.098111 -0.007410 0.008596 -0.010099 0.000180 -0.023731 -0.014719 -0.003376 0.018095 13.832896 17.559999 0.820809 -7.797836 13.105254 1.733119 10.833436 0.001208 560 N 0.161775 17.468257 2.134860 -0.206543 40.425264 0.50870912E+03 0.12246306E+05 9.910127 7.292268 0.139008 2.058613 0.999505 28.116312 77.729945 0.649058 0.392001 -1.097383 0.034031 -0.086363 -0.065750 0.113753 0.017564 0.035013 -0.013659 -0.029772 -0.026403 -0.051573 0.023371 0.028202 12.666766 14.725341 3.322503 -5.785766 13.562657 0.089944 9.712298 0.001287 561 N 0.067255 16.215240 1.607873 -0.021839 35.945517 0.43227781E+03 0.99491262E+04 9.126681 6.647736 0.116260 2.066982 0.999629 25.941695 69.162584 0.694174 0.383368 -1.108187 0.097144 0.123169 -0.002533 0.156888 -0.036127 0.003720 0.011917 -0.040987 0.023490 -0.047021 0.007117 0.039904 11.842015 13.306796 4.717795 -4.018429 14.410466 -0.002930 7.808783 0.000197 562 N 1.086985 16.019530 0.760208 -0.101583 33.216161 0.44850922E+03 0.10427790E+05 8.589389 6.794966 0.538092 2.169376 0.999593 27.487326 73.875597 0.682418 0.386042 -1.105253 -0.039580 0.248093 0.147304 0.291231 0.068223 0.017540 -0.132514 0.156722 -0.018970 -0.193071 0.069424 0.123647 10.081394 11.189287 2.532328 -3.541067 11.899214 0.809200 7.155680 0.000823 563 N 8.137843 20.573354 15.365610 -0.011490 31.192779 0.40301306E+03 0.91327729E+04 8.299802 6.458073 0.273201 2.132224 0.999625 25.471419 67.827651 0.696473 0.388077 -1.102592 -0.021019 -0.012938 0.169152 0.170944 -0.008993 0.019705 0.007560 -0.000603 -0.169181 -0.061743 0.023633 0.038111 10.258576 5.160401 0.096817 0.659204 9.582168 0.265419 16.033158 0.000008 564 N 8.652252 23.759599 22.319602 0.022713 36.032910 0.34540652E+03 0.75148805E+04 9.175749 5.901065 0.126541 2.117033 0.998679 23.445452 60.740722 0.744651 0.378061 -1.112241 -0.014441 -0.004776 0.025798 0.029948 0.046205 -0.020562 0.017121 -0.071539 0.128316 -0.085119 0.034279 0.050839 13.250124 6.822047 3.149191 2.149827 13.245621 9.612884 19.682704 0.000021 565 N 7.827016 13.969355 16.498073 -0.292000 36.797971 0.52330089E+03 0.12613117E+05 9.092339 7.268890 0.663447 2.197986 0.999669 29.045938 78.831925 0.671149 0.378631 -1.113426 -0.001156 0.238940 0.007808 0.239070 0.005892 -0.000983 0.077409 0.218369 0.379307 -0.191413 0.046114 0.145299 10.903844 5.492129 0.277304 -0.323974 8.894486 0.736342 18.324916 0.000190 566 N 9.304806 1.489301 1.246830 -0.229759 45.085740 0.59249982E+03 0.14923258E+05 10.942526 8.063748 -0.610746 1.809841 0.997838 29.915136 86.580177 0.590900 0.411545 -1.076442 -0.048899 -0.088464 -0.005879 0.101250 0.001773 -0.022320 -0.017044 0.040194 0.133809 -0.045769 -0.010532 0.056301 14.274348 10.630774 5.008703 3.222483 16.869340 7.229784 15.322928 -0.000128 567 N 5.013217 17.189013 21.247688 -0.242814 48.610116 0.53468494E+03 0.13102623E+05 11.256849 7.465593 0.047669 2.008098 0.999638 29.563983 83.912305 0.639416 0.390897 -1.092313 0.078139 -0.059147 -0.058515 0.114141 -0.014639 0.013898 -0.004025 -0.008195 -0.146562 -0.051559 0.010395 0.041165 15.164030 14.516673 -1.746241 -7.252551 17.619554 -3.456602 13.355862 0.021736 568 N 9.150302 10.778337 8.891513 -0.209600 40.605310 0.55165129E+03 0.13668894E+05 10.215896 7.804403 -0.462475 1.865585 0.998012 29.310087 84.549671 0.597023 0.414044 -1.073209 -0.061169 0.073548 0.004769 0.095779 0.014014 0.010671 -0.022099 0.047228 0.093411 -0.050216 0.011246 0.038969 12.531390 9.972466 -5.066122 -2.572442 14.384361 4.150432 13.237344 -0.000279 569 N 8.199645 12.193650 10.275135 0.037397 32.687656 0.32470733E+03 0.69628133E+04 8.565959 5.717407 0.161996 2.135157 0.998915 23.137655 59.694294 0.756617 0.377518 -1.111589 -0.002514 0.011090 -0.025018 0.027481 -0.038618 -0.005889 0.010541 -0.064596 0.107552 -0.068277 0.021973 0.046303 11.613895 6.711578 -3.378809 -2.915880 10.175947 6.374279 17.954162 0.000128 570 N 5.634870 16.009984 21.153503 -0.062525 40.040841 0.43806587E+03 0.10178185E+05 9.821209 6.693569 0.147877 2.063444 0.999819 27.005613 73.805013 0.687334 0.383537 -1.101287 0.017606 0.134561 -0.079904 0.157484 -0.025668 0.005693 0.034872 -0.002270 0.001784 -0.045851 0.004701 0.041150 13.005634 9.200493 -1.194601 -3.956229 17.918358 -4.942449 11.898051 0.020871 571 N 6.436476 16.067264 20.112983 0.002756 34.645064 0.41238671E+03 0.94038804E+04 8.979062 6.561331 0.122653 2.087116 0.999456 25.375450 67.897479 0.686109 0.391481 -1.099624 -0.087845 0.141005 0.037000 0.170201 0.047388 0.001453 -0.012534 0.012833 0.045933 -0.056981 0.014828 0.042153 11.486829 10.028189 -2.389649 -4.033600 15.105504 -0.634931 9.326795 0.007403 572 N 4.111637 23.377727 19.346048 0.020155 34.423926 0.34923056E+03 0.76351344E+04 8.889744 5.973260 0.096308 2.112221 0.998750 23.511306 61.482485 0.731240 0.383126 -1.106207 0.019112 0.011182 -0.011591 0.024993 -0.019572 -0.026165 -0.026342 -0.037038 -0.146521 -0.068444 0.014724 0.053720 11.890524 10.043307 -6.203409 -0.528489 19.911535 -2.464331 5.716728 0.000855 573 N 6.392851 17.270161 19.565813 -0.187581 39.684842 0.48354776E+03 0.11494801E+05 9.769966 7.084421 0.178348 2.073964 0.999625 27.740982 76.230054 0.661978 0.389225 -1.099248 -0.025825 -0.071728 0.086178 0.115058 -0.009849 0.031532 0.002964 -0.010265 -0.092583 -0.048712 0.016538 0.032174 12.581757 11.716107 -2.247448 -5.389074 15.111647 -1.245204 10.917517 0.000497 574 N 12.460334 22.568635 17.987092 0.042691 29.975838 0.31719225E+03 0.67718558E+04 8.017885 5.658953 0.081931 2.109635 0.998984 23.105180 59.764433 0.757775 0.378600 -1.109171 -0.021886 0.019814 -0.013132 0.032312 0.029711 0.024853 -0.024670 -0.054408 0.005146 -0.059165 0.014552 0.044613 9.560632 7.953551 4.519105 0.447957 13.457966 -3.299919 7.270379 0.000015 575 N 13.520053 0.630089 17.931030 -0.355059 37.603783 0.60740512E+03 0.15248764E+05 9.232746 7.884210 0.089158 1.977484 0.999746 31.577440 88.460115 0.635742 0.383768 -1.105845 -0.197286 -0.181465 -0.091008 0.283079 -0.160000 -0.005991 -0.129483 -0.037253 0.286977 -0.235662 0.028616 0.207046 9.727285 9.544315 2.773426 2.040483 10.501067 -1.951803 9.136473 0.000046 576 N 11.791420 1.541808 2.516085 -0.230435 45.139790 0.57462698E+03 0.14374743E+05 10.944486 7.953357 -0.443223 1.858647 0.998908 29.886517 86.439396 0.593125 0.412806 -1.074717 0.070617 -0.044844 0.056266 0.100815 0.025836 0.006692 0.035680 0.005066 -0.037486 -0.043639 -0.004269 0.047908 14.073322 13.698681 -6.346836 3.199939 19.935668 0.720265 8.585618 -0.000200 577 N 12.847504 23.494675 2.798640 0.031759 34.301376 0.32479768E+03 0.69671317E+04 8.825576 5.723066 0.144396 2.131426 0.998847 23.089990 59.634509 0.755073 0.378160 -1.110814 0.021486 0.013811 0.011915 0.028185 -0.021906 0.039192 0.016306 -0.057043 -0.039415 -0.064424 0.021633 0.042790 11.982109 9.323757 -6.277693 1.095759 20.219795 2.310789 6.402774 0.000027 578 N 2.846518 1.338939 19.413323 -0.253288 45.290207 0.62279954E+03 0.15892756E+05 10.930003 8.255756 -0.468638 1.837276 0.998947 30.800079 89.901718 0.584869 0.410390 -1.076553 0.077086 -0.044763 -0.055437 0.104972 0.035026 -0.010824 -0.030172 -0.009828 -0.075565 -0.042095 -0.016705 0.058800 13.801066 15.281169 -6.548844 -1.694496 18.511196 -1.471791 7.610834 0.000026 579 N 3.059189 23.384887 1.883700 0.010218 31.397775 0.36882365E+03 0.81464772E+04 8.315294 6.112428 0.084739 2.102394 0.998442 23.798270 61.859872 0.729987 0.379874 -1.112351 0.006381 0.002377 -0.046897 0.047389 0.014273 -0.043214 -0.016953 -0.027873 -0.231476 -0.093870 0.026707 0.067163 10.265288 9.292562 4.108621 -1.742541 16.140261 -2.330166 5.363042 0.005338 580 N 3.010111 1.718424 1.329802 -0.307731 42.628433 0.61378039E+03 0.15514348E+05 10.179741 7.953399 0.086953 1.998405 0.999721 31.021008 88.407362 0.626992 0.386477 -1.099259 0.071881 -0.163644 0.010306 0.179033 0.048625 -0.018064 -0.023722 0.194567 0.045108 -0.119002 0.011898 0.107104 11.908248 11.567857 3.822733 -3.409604 14.956779 -5.050377 9.200109 0.001713 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.835551 The total net atomic charge of the unit cell is 0.000001 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= 449724 The rms potential error without charges in kcal/mol is= 5.67768 The rms potential error with partial charges in kcal/mol is= 1.97786 The RRMSE value at monopole order= 0.34836 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.97947 The RRMSE value at monopole order with cloud penetration is= 0.34864 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.53535 The RRMSE value at dipole order= 0.09429 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.53242 The RRMSE value at dipole order with cloud penetration= 0.09377 ****************************************************** 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.