198 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 15.277000 0.000000 0.000000 }, { 0.000000 17.135000 0.000000 }, { -1.841703 -8.567431 14.741992 }] Cd 4.374302 -2.618203 5.297093 0.982568 Cd 9.060995 11.185772 9.444899 0.982568 Cd 6.717649 -4.283716 7.370996 1.048203 Cd 1.422495 5.949316 9.444899 0.982555 Cd 12.012802 2.618253 5.297093 0.982555 Cd -0.920852 4.283785 7.370996 1.048192 H 5.041741 11.490740 1.978375 0.124090 H 5.046609 9.616165 0.630957 0.110025 H 6.526006 7.412618 3.658962 0.117192 H 6.554325 9.302615 4.997535 0.118071 H 2.983278 -0.913250 9.712024 0.121762 H 2.998197 -0.863548 12.038311 0.113066 H 4.952452 -4.398498 12.109072 0.124555 H 4.871419 -4.489324 9.773941 0.102308 H 5.718917 0.209054 1.485993 0.120105 H 5.976888 2.246400 0.362653 0.117123 H 4.003888 4.141545 3.352329 0.105976 H 3.745918 2.104199 4.475669 0.120548 H 4.149581 -0.644210 14.084499 0.116051 H 3.673391 -4.665795 13.934131 0.113338 H 5.324842 5.825913 2.744959 0.112561 H 8.393556 -2.923171 12.763617 0.124090 H 8.388688 -1.048596 14.111035 0.110025 H 6.909291 1.154951 11.083030 0.117192 H 6.880972 -0.735046 9.744457 0.118071 H 10.452019 9.480819 5.029968 0.121762 H 10.437100 9.431117 2.703681 0.113066 H 8.482845 12.966067 2.632920 0.124555 H 8.563878 13.056893 4.968051 0.102308 H 7.716380 8.358515 13.255999 0.120105 H 7.458409 6.321169 14.379339 0.117123 H 9.431409 4.426024 11.389663 0.105976 H 9.689379 6.463370 10.266323 0.120548 H 9.285716 9.211779 0.657493 0.116051 H 9.761906 13.233364 0.807861 0.113338 H 8.110455 2.741656 11.997033 0.112561 H 0.755056 2.923291 12.763617 0.124104 H 0.750188 1.048728 14.111035 0.110007 H -0.729209 -1.154847 11.083030 0.117150 H -0.757528 0.735137 9.744457 0.118073 H 2.813519 7.654228 5.029968 0.121764 H 2.798600 7.703909 2.703681 0.113078 H 0.844345 4.168958 2.632920 0.124558 H 0.925378 4.078153 4.968051 0.102291 H 0.077880 8.776609 13.255999 0.120101 H -0.180091 -6.321034 14.379339 0.117129 H 1.792909 -4.425917 11.389663 0.105961 H 2.050879 10.671726 10.266323 0.120552 H 1.647216 7.923227 0.657493 0.115995 H 2.123406 3.901643 0.807861 0.113331 H 0.471955 -2.741544 11.997033 0.112570 H 12.680241 5.644278 1.978375 0.124104 H 12.685109 7.518841 0.630957 0.110007 H 14.164506 9.722416 3.658962 0.117150 H 14.192825 7.832432 4.997535 0.118073 H 10.621778 0.913341 9.712024 0.121764 H 10.636697 0.863660 12.038311 0.113078 H 12.590952 4.398611 12.109072 0.124558 H 12.509919 4.489416 9.773941 0.102291 H 13.357417 -0.209040 1.485993 0.120101 H 13.615388 14.888603 0.362653 0.117130 H 11.642388 12.993486 3.352329 0.105961 H 11.384418 -2.104157 4.475669 0.120552 H 11.788081 0.644342 14.084499 0.115995 H 11.311891 4.665926 13.934131 0.113331 H 12.963342 11.309113 2.744959 0.112570 C 5.709447 11.739210 4.570018 0.609176 C 5.769740 10.556891 3.647169 -0.036195 C 5.336267 10.656267 2.323338 -0.094446 C 5.337578 9.540775 1.530219 -0.150682 C 5.750334 8.298490 2.004911 0.084168 C 6.211988 8.238523 3.311051 -0.147548 C 6.223690 9.364297 4.110067 -0.082443 C 3.930689 -2.709006 8.022592 0.580139 C 3.910827 -2.715853 9.514482 -0.037293 C 3.364007 -1.634631 10.198510 -0.088085 C 3.376107 -1.605495 11.581309 -0.142491 C 3.927866 -2.635305 12.300718 0.092269 C 4.525891 -3.704533 11.622586 -0.140449 C 4.493140 -3.749090 10.233891 -0.101285 C 4.677145 -0.352963 3.832918 0.567168 C 4.708068 0.964715 3.084025 -0.017195 C 5.370812 1.007547 1.863388 -0.101856 C 5.524332 2.217275 1.197050 -0.144224 C 5.015106 3.385884 1.751349 0.078606 C 4.351993 3.343052 2.974934 -0.150861 C 4.198474 2.133325 3.641272 -0.099229 C 5.687004 7.061339 1.191153 0.081033 C 3.982807 -1.470115 14.526759 -0.204500 C 3.873973 -2.650720 13.783763 0.087217 C 3.700539 -3.860448 14.438307 -0.200776 C 5.404368 4.648731 1.105649 0.088353 C 5.454564 5.844757 1.804420 -0.207328 C 7.725850 -3.171641 10.171974 0.609177 C 7.665557 -1.989322 11.094823 -0.036195 C 8.099030 -2.088698 12.418654 -0.094446 C 8.097719 -0.973206 13.211773 -0.150682 C 7.684963 0.269079 12.737081 0.084168 C 7.223309 0.329046 11.430941 -0.147548 C 7.211607 -0.796728 10.631925 -0.082443 C 9.504608 11.276575 6.719400 0.580139 C 9.524470 11.283422 5.227510 -0.037293 C 10.071290 10.202200 4.543482 -0.088085 C 10.059190 10.173064 3.160683 -0.142491 C 9.507431 11.202874 2.441274 0.092269 C 8.909406 12.272102 3.119406 -0.140449 C 8.942157 12.316659 4.508101 -0.101285 C 8.758152 8.920532 10.909074 0.567168 C 8.727229 7.602854 11.657967 -0.017195 C 8.064485 7.560022 12.878604 -0.101856 C 7.910965 6.350294 13.544942 -0.144224 C 8.420191 5.181685 12.990643 0.078606 C 9.083304 5.224517 11.767058 -0.150861 C 9.236823 6.434244 11.100720 -0.099229 C 7.748293 1.506230 13.550839 0.081033 C 9.452490 10.037684 0.215233 -0.204500 C 9.561324 11.218289 0.958229 0.087217 C 9.734758 12.428017 0.303685 -0.200776 C 8.030929 3.918838 13.636343 0.088353 C 7.980733 2.722812 12.937572 -0.207328 C 0.087350 3.171736 10.171974 0.609185 C 0.027057 1.989425 11.094823 -0.036225 C 0.460530 2.088815 12.418654 -0.094514 C 0.459219 0.973330 13.211773 -0.150561 C 0.046463 -0.268960 12.737081 0.084121 C -0.415191 -0.328938 11.430941 -0.147495 C -0.426893 0.796827 10.631925 -0.082454 C 1.866108 5.858488 6.719400 0.579958 C 1.885970 5.851627 5.227510 -0.037243 C 2.432790 6.932842 4.543482 -0.088092 C 2.420690 6.961965 3.160683 -0.142519 C 1.868931 5.932148 2.441274 0.092245 C 1.270906 4.862928 3.119406 -0.140461 C 1.303657 4.818383 4.508101 -0.101225 C 1.119652 8.214570 10.909074 0.567177 C 1.088729 9.532255 11.657967 -0.017194 C 0.425985 9.575098 12.878604 -0.101851 C 0.272465 -6.350168 13.544942 -0.144241 C 0.781691 -5.181563 12.990643 0.078658 C 1.444804 -5.224406 11.767058 -0.150864 C 1.598323 -6.434141 11.100720 -0.099249 C 0.109793 -1.506103 13.550839 0.081048 C 1.813990 7.097318 0.215233 -0.204437 C 1.922824 5.916720 0.958229 0.087228 C 2.096258 4.706986 0.303685 -0.200757 C 0.392429 -3.918711 13.636343 0.088325 C 0.342233 -2.722691 12.937572 -0.207339 C 13.347947 5.395833 4.570018 0.609185 C 13.408240 6.578144 3.647169 -0.036225 C 12.974767 6.478754 2.323338 -0.094514 C 12.976078 7.594239 1.530219 -0.150561 C 13.388834 8.836529 2.004911 0.084121 C 13.850488 8.896507 3.311051 -0.147496 C 13.862190 7.770742 4.110067 -0.082454 C 11.569189 2.709081 8.022592 0.579958 C 11.549327 2.715942 9.514482 -0.037243 C 11.002507 1.634727 10.198510 -0.088092 C 11.014607 1.605604 11.581309 -0.142519 C 11.566366 2.635421 12.300718 0.092245 C 12.164391 3.704641 11.622586 -0.140461 C 12.131640 3.749186 10.233891 -0.101225 C 12.315645 0.352999 3.832918 0.567177 C 12.346568 -0.964686 3.084025 -0.017194 C 13.009312 -1.007529 1.863388 -0.101851 C 13.162832 14.917737 1.197050 -0.144241 C 12.653606 13.749132 1.751349 0.078658 C 11.990493 13.791975 2.974934 -0.150864 C 11.836974 -2.133290 3.641272 -0.099249 C 13.325504 10.073672 1.191153 0.081048 C 11.621307 1.470251 14.526759 -0.204437 C 11.512473 2.650849 13.783763 0.087228 C 11.339039 3.860583 14.438307 -0.200757 C 13.042868 12.486280 1.105649 0.088325 C 13.093064 11.290260 1.804420 -0.207339 O 4.944939 -1.387920 3.266825 -0.548934 O 4.163474 -0.344390 4.997535 -0.575439 O 5.246327 12.806718 4.156062 -0.544284 O 6.127507 11.513033 5.748198 -0.583832 O 3.412919 -1.790573 7.385738 -0.485007 O 4.530899 -3.680563 7.412568 -0.627189 O 8.490358 9.955489 11.475167 -0.548934 O 9.271823 8.911959 9.744457 -0.575439 O 8.188970 -4.239149 10.585930 -0.544284 O 7.307790 -2.945464 8.993794 -0.583832 O 10.022378 10.358142 7.356254 -0.485007 O 8.904398 12.248132 7.329424 -0.627189 O 0.851858 7.179619 11.475167 -0.548937 O 1.633323 8.223132 9.744457 -0.575446 O 0.550470 4.239249 10.585930 -0.544279 O -0.330710 2.945549 8.993794 -0.583820 O 2.383878 6.776927 7.356254 -0.484906 O 1.265898 4.886936 7.329424 -0.627148 O 12.583439 1.387950 3.266825 -0.548937 O 11.801974 0.344437 4.997535 -0.575446 O 12.884827 4.328320 4.156062 -0.544279 O 13.766007 5.622020 5.748198 -0.583820 O 11.051419 1.790642 7.385738 -0.484906 O 12.169399 3.680633 7.412568 -0.627148 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 Cd 4.374302 -2.618203 5.297093 0.982568 139.990513 0.33456017E+04 0.11952404E+06 20.639611 17.957205 0.894985 2.004213 0.999240 75.504025 198.311227 0.474341 0.361439 -1.208446 -0.082768 -0.022271 -0.050934 0.099704 0.130401 0.084748 0.051891 0.207745 -0.135559 -0.145515 -0.079949 0.225464 23.861135 14.388080 -3.435467 -1.771216 28.164628 -4.931617 29.030695 -0.000003 2 Cd 9.060995 11.185772 9.444899 0.982568 139.990495 0.33456012E+04 0.11952402E+06 20.639608 17.957203 0.894985 2.004213 0.999240 75.504025 198.311220 0.474341 0.361439 -1.208446 0.082768 0.022271 0.050934 0.099704 0.130401 0.084748 0.051891 0.207745 -0.135559 -0.145515 -0.079949 0.225464 23.861131 14.388078 -3.435466 -1.771214 28.164623 -4.931618 29.030693 -0.000003 3 Cd 6.717649 -4.283716 7.370996 1.048203 166.503680 0.34463467E+04 0.12378038E+06 22.957784 18.208570 0.782753 1.983865 0.999230 74.029627 193.628027 0.472704 0.360765 -1.211544 -0.000000 0.000000 -0.000000 0.000000 0.096993 -0.064865 -0.056130 -0.205206 -0.351732 -0.155107 -0.062300 0.217407 29.646495 27.473938 -4.895868 -0.498314 21.537457 14.150688 39.928091 -0.000000 4 Cd 1.422495 5.949316 9.444899 0.982555 139.991381 0.33456263E+04 0.11952514E+06 20.639687 17.957262 0.894968 2.004206 0.999240 75.504354 198.312256 0.474340 0.361438 -1.208446 0.082769 -0.022260 0.050951 0.099711 -0.130414 0.084762 -0.051887 0.207747 -0.135581 -0.145519 -0.079964 0.225483 23.861233 14.388142 3.435493 -1.771239 28.164833 4.931576 29.030724 -0.000003 5 Cd 12.012802 2.618253 5.297093 0.982555 139.991353 0.33456255E+04 0.11952511E+06 20.639684 17.957259 0.894968 2.004206 0.999240 75.504351 198.312239 0.474341 0.361438 -1.208446 -0.082769 0.022260 -0.050951 0.099711 -0.130414 0.084762 -0.051887 0.207747 -0.135581 -0.145519 -0.079964 0.225483 23.861229 14.388139 3.435492 -1.771239 28.164828 4.931576 29.030719 -0.000003 6 Cd -0.920852 4.283785 7.370996 1.048192 166.500716 0.34462791E+04 0.12377723E+06 22.957391 18.208302 0.782769 1.983867 0.999230 74.029604 193.626811 0.472711 0.360761 -1.211548 0.000000 -0.000000 -0.000000 0.000000 -0.096997 -0.064867 0.056138 -0.205242 -0.351731 -0.155114 -0.062311 0.217425 29.645915 27.473502 4.895766 -0.498368 21.536920 -14.150280 39.927322 0.000000 7 H 5.041741 11.490740 1.978375 0.124090 1.127651 0.82911799E+01 0.80489260E+02 1.664907 1.589870 -0.930317 2.442862 0.998516 3.186711 8.306468 0.551882 1.143242 -0.744040 -0.011378 0.037015 -0.017405 0.042456 -0.006024 0.008439 -0.007276 -0.020129 0.017544 -0.016659 -0.000572 0.017231 1.679364 1.450768 -0.195942 0.109554 2.096628 -0.117784 1.490697 -0.000000 8 H 5.046609 9.616165 0.630957 0.110025 1.146476 0.84696842E+01 0.83627983E+02 1.750721 1.656351 -0.987860 2.401646 0.997925 3.452587 9.427482 0.510685 1.214699 -0.724375 -0.009008 0.007162 -0.033570 0.035488 -0.005788 0.006786 -0.003100 -0.023203 0.020646 -0.017856 0.004437 0.013419 1.791986 1.570533 0.012730 0.330310 1.540208 0.120635 2.265216 0.000000 9 H 6.526006 7.412618 3.658962 0.117192 1.118533 0.83511717E+01 0.81135022E+02 1.645494 1.586955 -0.885741 2.453688 0.998954 3.221346 8.372060 0.557484 1.130870 -0.746829 0.013949 -0.031349 0.016763 0.038188 -0.008767 0.009041 -0.004060 -0.020185 0.019289 -0.018702 0.002596 0.016106 1.647596 1.447231 -0.103644 0.130000 2.027461 -0.091238 1.468097 0.000001 10 H 6.554325 9.302615 4.997535 0.118071 1.187071 0.88119463E+01 0.87300981E+02 1.757383 1.664378 -0.966276 2.418570 0.998343 3.321670 8.893401 0.524440 1.178863 -0.734604 0.014770 -0.005034 0.038584 0.041620 -0.006766 0.009945 -0.007100 -0.012459 0.029992 -0.016090 -0.002664 0.018754 1.800715 1.567922 0.060143 0.325707 1.551753 0.142962 2.282471 0.000001 11 H 2.983278 -0.913250 9.712024 0.121762 1.179483 0.87904744E+01 0.87156258E+02 1.756705 1.668757 -1.032300 2.393748 0.997692 3.336249 8.976599 0.520013 1.187969 -0.732173 -0.015372 0.033774 -0.019898 0.042105 -0.010780 0.001684 -0.003233 -0.022705 -0.003144 -0.015141 -0.001771 0.016912 1.777981 1.602611 -0.329975 0.146819 1.884679 -0.330529 1.846654 -0.000000 12 H 2.998197 -0.863548 12.038311 0.113066 1.194174 0.91370738E+01 0.93005495E+02 1.877284 1.781719 -1.193634 2.310710 0.994893 3.707809 10.672123 0.461851 1.302874 -0.703676 -0.014349 0.029044 0.014300 0.035411 -0.008545 0.000505 -0.001067 -0.020579 0.016493 -0.016124 0.005242 0.010882 1.924066 1.810102 -0.377939 -0.223304 2.024323 0.370452 1.937773 0.000001 13 H 4.952452 -4.398498 12.109072 0.124555 1.051526 0.79153768E+01 0.76914811E+02 1.668386 1.616965 -0.795711 2.505736 0.999605 3.283921 8.922505 0.508870 1.238685 -0.720174 0.021498 -0.030234 0.017684 0.041097 -0.014132 0.004227 -0.002037 -0.014476 0.009775 -0.017821 0.002285 0.015536 1.674630 1.581529 -0.208543 0.062724 1.715468 -0.246959 1.726895 0.000001 14 H 4.871419 -4.489324 9.773941 0.102308 1.303564 0.98885167E+01 0.10178185E+03 1.933306 1.809874 -1.056887 2.363281 0.996990 3.637839 10.236899 0.479038 1.242215 -0.718278 0.010428 -0.034791 -0.013421 0.038720 -0.010397 0.004926 0.002283 -0.024667 -0.002434 -0.017482 0.000933 0.016549 2.013589 1.816688 -0.300832 -0.325147 2.095466 0.460778 2.128614 -0.000000 15 H 5.718917 0.209054 1.485993 0.120105 1.220515 0.88657428E+01 0.87685443E+02 1.766162 1.650019 -1.016181 2.397052 0.997919 3.307229 8.754857 0.537774 1.151579 -0.741295 0.014377 -0.034285 -0.019058 0.041778 -0.006440 -0.012766 0.005969 -0.010647 0.017304 -0.016158 -0.001798 0.017956 1.822772 1.549850 -0.352260 -0.153144 2.351855 0.185584 1.566611 -0.000000 16 H 5.976888 2.246400 0.362653 0.117123 1.105984 0.80992190E+01 0.78661283E+02 1.680426 1.598519 -0.854405 2.470674 0.999118 3.280457 8.730819 0.533046 1.183106 -0.733053 0.017922 -0.002711 -0.034605 0.039064 -0.004555 -0.013998 0.002731 -0.013308 0.017814 -0.018162 0.002192 0.015971 1.699449 1.509682 -0.021619 -0.319426 1.602338 -0.174123 1.986326 0.000001 17 H 4.003888 4.141545 3.352329 0.105976 1.229275 0.92542643E+01 0.94598157E+02 1.906792 1.784344 -1.403955 2.202272 0.992159 3.884671 11.243347 0.464429 1.290168 -0.704663 -0.012477 0.029875 0.016698 0.036428 -0.002706 -0.009264 0.001593 -0.021334 0.016663 -0.017359 0.006108 0.011250 1.969637 1.784205 -0.407957 -0.228407 2.464056 0.183374 1.660648 0.000000 18 H 3.745918 2.104199 4.475669 0.120548 1.220751 0.91038103E+01 0.91150662E+02 1.804397 1.703279 -1.017607 2.398784 0.997720 3.390072 9.197074 0.511905 1.195033 -0.730336 -0.019523 -0.001484 0.037444 0.042254 -0.002527 -0.013791 0.004243 -0.007517 0.021959 -0.015686 -0.001342 0.017028 1.835615 1.636443 -0.034547 -0.413190 1.664205 -0.174001 2.206197 0.000000 19 H 4.149581 -0.644210 14.084499 0.116051 1.165449 0.91745344E+01 0.93525640E+02 1.852333 1.790024 -1.109200 2.347889 0.996485 3.701009 10.676591 0.458769 1.309679 -0.702435 0.009391 0.031988 -0.017367 0.037590 0.006633 -0.003105 -0.004318 -0.023885 0.012871 -0.015997 0.001933 0.014064 1.874977 1.608521 0.229527 -0.099091 2.145779 -0.154874 1.870630 0.000000 20 H 3.673391 -4.665795 13.934131 0.113338 1.142518 0.89168886E+01 0.90492059E+02 1.830349 1.763394 -1.452292 2.185127 0.992239 3.866951 11.226398 0.461522 1.307725 -0.700850 -0.000189 -0.030611 -0.017448 0.035235 -0.001751 -0.003395 0.005214 -0.023238 0.002470 -0.012881 -0.000828 0.013710 1.861565 1.489472 0.068647 -0.023259 2.148452 0.186347 1.946769 0.000001 21 H 5.324842 5.825913 2.744959 0.112561 1.226951 0.97195815E+01 0.10015781E+03 1.880528 1.811609 -1.342297 2.235166 0.993705 3.796521 10.881732 0.469414 1.266230 -0.710959 -0.003473 -0.003013 0.033994 0.034303 0.001563 0.000476 -0.002921 -0.013170 0.040886 -0.013607 -0.000613 0.014220 1.903090 1.583036 0.157924 -0.135609 1.864730 0.023992 2.261503 0.000000 22 H 8.393556 -2.923171 12.763617 0.124090 1.127650 0.82911779E+01 0.80489238E+02 1.664907 1.589870 -0.930317 2.442862 0.998516 3.186710 8.306466 0.551882 1.143242 -0.744040 0.011378 -0.037015 0.017405 0.042456 -0.006024 0.008439 -0.007276 -0.020129 0.017544 -0.016659 -0.000572 0.017231 1.679365 1.450768 -0.195942 0.109554 2.096629 -0.117784 1.490697 -0.000000 23 H 8.388688 -1.048596 14.111035 0.110025 1.146476 0.84696842E+01 0.83627983E+02 1.750721 1.656351 -0.987860 2.401646 0.997925 3.452587 9.427482 0.510685 1.214699 -0.724375 0.009008 -0.007162 0.033570 0.035488 -0.005788 0.006786 -0.003100 -0.023203 0.020646 -0.017856 0.004437 0.013419 1.791986 1.570533 0.012730 0.330310 1.540208 0.120635 2.265216 0.000000 24 H 6.909291 1.154951 11.083030 0.117192 1.118533 0.83511758E+01 0.81135080E+02 1.645495 1.586956 -0.885741 2.453688 0.998954 3.221346 8.372064 0.557483 1.130872 -0.746828 -0.013949 0.031349 -0.016763 0.038188 -0.008767 0.009041 -0.004060 -0.020185 0.019289 -0.018702 0.002596 0.016106 1.647598 1.447232 -0.103645 0.130000 2.027463 -0.091238 1.468098 0.000001 25 H 6.880972 -0.735046 9.744457 0.118071 1.187071 0.88119489E+01 0.87301022E+02 1.757384 1.664379 -0.966276 2.418570 0.998343 3.321670 8.893404 0.524439 1.178864 -0.734603 -0.014770 0.005034 -0.038584 0.041620 -0.006766 0.009945 -0.007100 -0.012459 0.029992 -0.016090 -0.002664 0.018754 1.800716 1.567922 0.060143 0.325707 1.551754 0.142962 2.282472 0.000001 26 H 10.452019 9.480819 5.029968 0.121762 1.179482 0.87904682E+01 0.87156178E+02 1.756704 1.668756 -1.032300 2.393748 0.997692 3.336248 8.976594 0.520014 1.187969 -0.732173 0.015372 -0.033774 0.019898 0.042105 -0.010780 0.001684 -0.003233 -0.022705 -0.003144 -0.015141 -0.001771 0.016912 1.777980 1.602610 -0.329975 0.146819 1.884678 -0.330528 1.846653 -0.000000 27 H 10.437100 9.431117 2.703681 0.113066 1.194174 0.91370742E+01 0.93005497E+02 1.877283 1.781719 -1.193633 2.310711 0.994893 3.707809 10.672122 0.461851 1.302874 -0.703676 0.014349 -0.029044 -0.014300 0.035411 -0.008545 0.000505 -0.001067 -0.020579 0.016493 -0.016124 0.005242 0.010882 1.924066 1.810102 -0.377939 -0.223304 2.024323 0.370451 1.937773 0.000001 28 H 8.482845 12.966067 2.632920 0.124555 1.051526 0.79153768E+01 0.76914811E+02 1.668386 1.616965 -0.795711 2.505736 0.999605 3.283921 8.922505 0.508870 1.238685 -0.720174 -0.021498 0.030234 -0.017684 0.041097 -0.014132 0.004227 -0.002037 -0.014476 0.009775 -0.017821 0.002285 0.015536 1.674630 1.581529 -0.208543 0.062724 1.715468 -0.246959 1.726895 0.000001 29 H 8.563878 13.056893 4.968051 0.102308 1.303564 0.98885167E+01 0.10178185E+03 1.933306 1.809874 -1.056887 2.363281 0.996990 3.637839 10.236899 0.479038 1.242215 -0.718278 -0.010428 0.034791 0.013421 0.038720 -0.010397 0.004926 0.002283 -0.024667 -0.002434 -0.017482 0.000933 0.016549 2.013589 1.816688 -0.300832 -0.325147 2.095466 0.460778 2.128614 -0.000000 30 H 7.716380 8.358515 13.255999 0.120105 1.220515 0.88657382E+01 0.87685388E+02 1.766162 1.650018 -1.016181 2.397052 0.997919 3.307228 8.754855 0.537774 1.151580 -0.741295 -0.014377 0.034285 0.019058 0.041778 -0.006440 -0.012766 0.005969 -0.010647 0.017304 -0.016158 -0.001798 0.017956 1.822772 1.549850 -0.352260 -0.153144 2.351855 0.185584 1.566611 -0.000000 31 H 7.458409 6.321169 14.379339 0.117123 1.105984 0.80992192E+01 0.78661288E+02 1.680426 1.598519 -0.854405 2.470674 0.999118 3.280457 8.730820 0.533046 1.183106 -0.733053 -0.017922 0.002711 0.034605 0.039064 -0.004555 -0.013998 0.002731 -0.013308 0.017814 -0.018162 0.002192 0.015971 1.699449 1.509682 -0.021619 -0.319426 1.602339 -0.174123 1.986326 0.000001 32 H 9.431409 4.426024 11.389663 0.105976 1.229276 0.92542701E+01 0.94598226E+02 1.906792 1.784344 -1.403956 2.202272 0.992159 3.884672 11.243348 0.464429 1.290168 -0.704663 0.012477 -0.029875 -0.016698 0.036428 -0.002706 -0.009264 0.001593 -0.021334 0.016663 -0.017359 0.006108 0.011250 1.969637 1.784205 -0.407957 -0.228407 2.464056 0.183374 1.660649 0.000000 33 H 9.689379 6.463370 10.266323 0.120548 1.220751 0.91038075E+01 0.91150617E+02 1.804396 1.703278 -1.017607 2.398784 0.997720 3.390072 9.197070 0.511906 1.195031 -0.730336 0.019523 0.001484 -0.037444 0.042254 -0.002527 -0.013791 0.004243 -0.007517 0.021959 -0.015686 -0.001342 0.017028 1.835614 1.636442 -0.034547 -0.413190 1.664204 -0.174001 2.206196 0.000000 34 H 9.285716 9.211779 0.657493 0.116051 1.165449 0.91745401E+01 0.93525703E+02 1.852333 1.790024 -1.109200 2.347888 0.996485 3.701010 10.676591 0.458770 1.309678 -0.702436 -0.009391 -0.031988 0.017367 0.037590 0.006633 -0.003105 -0.004318 -0.023885 0.012871 -0.015997 0.001933 0.014063 1.874976 1.608521 0.229527 -0.099091 2.145779 -0.154874 1.870629 0.000000 35 H 9.761906 13.233364 0.807861 0.113338 1.142518 0.89168886E+01 0.90492059E+02 1.830349 1.763394 -1.452292 2.185127 0.992239 3.866951 11.226398 0.461522 1.307725 -0.700850 0.000189 0.030611 0.017448 0.035235 -0.001751 -0.003395 0.005214 -0.023238 0.002470 -0.012881 -0.000828 0.013710 1.861565 1.489472 0.068647 -0.023259 2.148452 0.186347 1.946769 0.000001 36 H 8.110455 2.741656 11.997033 0.112561 1.226951 0.97195805E+01 0.10015781E+03 1.880528 1.811609 -1.342297 2.235166 0.993705 3.796521 10.881735 0.469414 1.266231 -0.710959 0.003473 0.003013 -0.033994 0.034303 0.001563 0.000476 -0.002921 -0.013170 0.040886 -0.013607 -0.000613 0.014220 1.903090 1.583037 0.157924 -0.135609 1.864731 0.023992 2.261503 0.000000 37 H 0.755056 2.923291 12.763617 0.124104 1.127536 0.82901737E+01 0.80477016E+02 1.664788 1.589770 -0.930337 2.442870 0.998516 3.186578 8.305982 0.551902 1.143237 -0.744041 0.011372 0.037016 0.017403 0.042454 0.006029 0.008434 0.007278 -0.020127 0.017546 -0.016657 -0.000576 0.017233 1.679241 1.450680 0.195908 0.109539 2.096439 0.117757 1.490605 -0.000000 38 H 0.750188 1.048728 14.111035 0.110007 1.146562 0.84703758E+01 0.83636211E+02 1.750782 1.656396 -0.987827 2.401645 0.997926 3.452674 9.427685 0.510690 1.214666 -0.724383 0.009010 0.007166 0.033575 0.035494 0.005789 0.006788 0.003095 -0.023205 0.020646 -0.017858 0.004442 0.013416 1.792052 1.570576 -0.012729 0.330344 1.540238 -0.120635 2.265343 0.000000 39 H -0.729209 -1.154847 11.083030 0.117150 1.118612 0.83518918E+01 0.81143708E+02 1.645573 1.587025 -0.885838 2.453639 0.998954 3.221450 8.372398 0.557471 1.130874 -0.746829 -0.013945 -0.031357 -0.016767 0.038195 0.008768 0.009047 0.004059 -0.020188 0.019281 -0.018706 0.002597 0.016108 1.647677 1.447292 0.103656 0.130011 2.027582 0.091248 1.468158 0.000001 40 H -0.757528 0.735137 9.744457 0.118073 1.187022 0.88114829E+01 0.87294960E+02 1.757310 1.664314 -0.966308 2.418557 0.998343 3.321599 8.893044 0.524461 1.178834 -0.734611 -0.014770 -0.005036 -0.038586 0.041622 0.006767 0.009945 0.007101 -0.012455 0.030000 -0.016089 -0.002667 0.018756 1.800637 1.567860 -0.060137 0.325683 1.551691 -0.142948 2.282360 0.000001 41 H 2.813519 7.654228 5.029968 0.121764 1.179525 0.87908904E+01 0.87161695E+02 1.756773 1.668818 -1.032324 2.393737 0.997691 3.336303 8.976906 0.519993 1.187999 -0.732166 0.015371 0.033774 0.019898 0.042106 0.010781 0.001685 0.003231 -0.022702 -0.003146 -0.015140 -0.001771 0.016911 1.778052 1.602670 0.329998 0.146826 1.884761 0.330549 1.846725 -0.000000 42 H 2.798600 7.703909 2.703681 0.113078 1.194101 0.91364274E+01 0.92997662E+02 1.877244 1.781686 -1.193604 2.310735 0.994894 3.707721 10.671945 0.461842 1.302918 -0.703667 0.014347 0.029038 -0.014295 0.035404 0.008546 0.000505 0.001062 -0.020580 0.016497 -0.016126 0.005245 0.010881 1.924024 1.810066 0.377920 -0.223295 2.024267 -0.370433 1.937739 0.000001 43 H 0.844345 4.168958 2.632920 0.124558 1.051449 0.79146011E+01 0.76904894E+02 1.668260 1.616851 -0.795695 2.505745 0.999605 3.283755 8.921728 0.508907 1.238632 -0.720187 -0.021497 -0.030235 -0.017687 0.041099 0.014132 0.004227 0.002035 -0.014478 0.009771 -0.017821 0.002286 0.015535 1.674503 1.581415 0.208513 0.062714 1.715339 0.246924 1.726756 0.000001 44 H 0.925378 4.078153 4.968051 0.102291 1.303625 0.98890162E+01 0.10178778E+03 1.933326 1.809889 -1.056899 2.363265 0.996990 3.637879 10.236889 0.479051 1.242173 -0.718288 -0.010430 -0.034794 0.013422 0.038724 0.010399 0.004926 -0.002284 -0.024675 -0.002434 -0.017486 0.000932 0.016554 2.013612 1.816706 0.300842 -0.325158 2.095492 -0.460792 2.128638 -0.000000 45 H 0.077880 8.776609 13.255999 0.120101 1.220518 0.88657427E+01 0.87685257E+02 1.766147 1.650005 -1.016200 2.397039 0.997919 3.307229 8.754788 0.537784 1.151561 -0.741300 -0.014377 -0.034285 0.019060 0.041779 0.006439 -0.012765 -0.005969 -0.010647 0.017317 -0.016158 -0.001799 0.017957 1.822756 1.549840 0.352257 -0.153145 2.351828 -0.185586 1.566600 -0.000000 46 H -0.180091 -6.321034 14.379339 0.117129 1.105955 0.80989439E+01 0.78657699E+02 1.680374 1.598473 -0.854429 2.470670 0.999118 3.280397 8.730520 0.533064 1.183079 -0.733059 -0.017921 -0.002713 0.034607 0.039066 0.004553 -0.013996 -0.002737 -0.013311 0.017816 -0.018161 0.002189 0.015972 1.699394 1.509641 0.021617 -0.319409 1.602288 0.174110 1.986253 0.000001 47 H 1.792909 -4.425917 11.389663 0.105961 1.229322 0.92547041E+01 0.94603767E+02 1.906839 1.784385 -1.403901 2.202287 0.992157 3.884760 11.243667 0.464424 1.290166 -0.704663 0.012480 0.029877 -0.016704 0.036434 0.002705 -0.009268 -0.001592 -0.021339 0.016653 -0.017362 0.006112 0.011250 1.969687 1.784250 0.407973 -0.228417 2.464121 -0.183380 1.660688 0.000000 48 H 2.050879 10.671726 10.266323 0.120552 1.220733 0.91036389E+01 0.91148401E+02 1.804365 1.703252 -1.017712 2.398734 0.997720 3.390059 9.196973 0.511915 1.195018 -0.730339 0.019522 -0.001486 -0.037443 0.042253 0.002530 -0.013791 -0.004244 -0.007515 0.021961 -0.015685 -0.001344 0.017030 1.835582 1.636416 0.034545 -0.413176 1.664180 0.173999 2.206149 0.000000 49 H 1.647216 7.923227 0.657493 0.115995 1.165557 0.91754076E+01 0.93534914E+02 1.852283 1.789976 -1.108770 2.348037 0.996492 3.701100 10.676184 0.458836 1.309485 -0.702475 -0.009377 0.032004 0.017380 0.037607 -0.006636 -0.003110 0.004319 -0.023903 0.012875 -0.016007 0.001934 0.014073 1.874925 1.608478 -0.229519 -0.099088 2.145721 0.154877 1.870577 0.000000 50 H 2.123406 3.901643 0.807861 0.113331 1.142485 0.89163118E+01 0.90482368E+02 1.830106 1.763172 -1.452322 2.185098 0.992248 3.866627 11.224257 0.461628 1.307481 -0.700902 0.000189 -0.030614 0.017446 0.035236 0.001755 -0.003397 -0.005212 -0.023233 0.002466 -0.012879 -0.000828 0.013708 1.861311 1.489303 -0.068631 -0.023252 2.148135 -0.186313 1.946494 0.000001 51 H 0.471955 -2.741544 11.997033 0.112570 1.226941 0.97196092E+01 0.10015933E+03 1.880619 1.811693 -1.342162 2.235240 0.993704 3.796556 10.882312 0.469366 1.266344 -0.710935 0.003479 -0.003009 -0.033994 0.034303 -0.001561 0.000483 0.002928 -0.013168 0.040871 -0.013603 -0.000615 0.014218 1.903183 1.583104 -0.157938 -0.135619 1.864823 -0.023989 2.261621 0.000000 52 H 12.680241 5.644278 1.978375 0.124104 1.127536 0.82901749E+01 0.80477030E+02 1.664788 1.589770 -0.930337 2.442870 0.998516 3.186578 8.305982 0.551902 1.143237 -0.744041 -0.011372 -0.037016 -0.017403 0.042454 0.006029 0.008434 0.007278 -0.020127 0.017546 -0.016657 -0.000576 0.017233 1.679241 1.450680 0.195908 0.109539 2.096439 0.117757 1.490605 -0.000000 53 H 12.685109 7.518841 0.630957 0.110007 1.146562 0.84703746E+01 0.83636194E+02 1.750782 1.656395 -0.987827 2.401645 0.997926 3.452674 9.427684 0.510691 1.214665 -0.724383 -0.009010 -0.007166 -0.033575 0.035494 0.005789 0.006788 0.003095 -0.023205 0.020646 -0.017858 0.004442 0.013416 1.792052 1.570576 -0.012729 0.330344 1.540237 -0.120635 2.265343 0.000000 54 H 14.164506 9.722416 3.658962 0.117150 1.118612 0.83518906E+01 0.81143694E+02 1.645573 1.587025 -0.885837 2.453640 0.998954 3.221450 8.372398 0.557471 1.130874 -0.746829 0.013945 0.031357 0.016767 0.038195 0.008768 0.009047 0.004059 -0.020188 0.019281 -0.018706 0.002597 0.016108 1.647677 1.447292 0.103656 0.130011 2.027582 0.091248 1.468158 0.000001 55 H 14.192825 7.832432 4.997535 0.118073 1.187022 0.88114829E+01 0.87294960E+02 1.757310 1.664314 -0.966308 2.418557 0.998343 3.321599 8.893044 0.524461 1.178834 -0.734611 0.014770 0.005036 0.038586 0.041622 0.006767 0.009945 0.007101 -0.012455 0.030000 -0.016089 -0.002667 0.018756 1.800637 1.567860 -0.060137 0.325683 1.551691 -0.142948 2.282360 0.000001 56 H 10.621778 0.913341 9.712024 0.121764 1.179524 0.87908860E+01 0.87161637E+02 1.756773 1.668817 -1.032324 2.393737 0.997691 3.336302 8.976902 0.519993 1.187999 -0.732166 -0.015371 -0.033774 -0.019898 0.042106 0.010781 0.001685 0.003231 -0.022702 -0.003146 -0.015140 -0.001771 0.016911 1.778051 1.602669 0.329998 0.146826 1.884760 0.330549 1.846724 -0.000000 57 H 10.636697 0.863660 12.038311 0.113078 1.194101 0.91364278E+01 0.92997665E+02 1.877244 1.781686 -1.193604 2.310735 0.994894 3.707721 10.671944 0.461842 1.302918 -0.703668 -0.014347 -0.029038 0.014295 0.035404 0.008546 0.000505 0.001062 -0.020580 0.016497 -0.016126 0.005245 0.010881 1.924024 1.810066 0.377920 -0.223295 2.024267 -0.370433 1.937739 0.000001 58 H 12.590952 4.398611 12.109072 0.124558 1.051450 0.79146051E+01 0.76904937E+02 1.668260 1.616851 -0.795695 2.505745 0.999605 3.283756 8.921729 0.508908 1.238631 -0.720187 0.021497 0.030235 0.017687 0.041099 0.014132 0.004227 0.002035 -0.014478 0.009771 -0.017821 0.002286 0.015535 1.674503 1.581415 0.208513 0.062714 1.715339 0.246924 1.726756 0.000001 59 H 12.509919 4.489416 9.773941 0.102291 1.303626 0.98890206E+01 0.10178783E+03 1.933326 1.809889 -1.056899 2.363265 0.996990 3.637880 10.236890 0.479051 1.242172 -0.718288 0.010430 0.034794 -0.013422 0.038724 0.010399 0.004926 -0.002284 -0.024675 -0.002434 -0.017486 0.000932 0.016554 2.013612 1.816706 0.300842 -0.325158 2.095492 -0.460792 2.128638 -0.000000 60 H 13.357417 -0.209040 1.485993 0.120101 1.220518 0.88657446E+01 0.87685283E+02 1.766148 1.650006 -1.016200 2.397039 0.997919 3.307229 8.754789 0.537784 1.151561 -0.741300 0.014377 0.034285 -0.019060 0.041779 0.006439 -0.012765 -0.005969 -0.010647 0.017317 -0.016158 -0.001799 0.017957 1.822756 1.549841 0.352257 -0.153145 2.351829 -0.185586 1.566600 -0.000000 61 H 13.615388 14.888603 0.362653 0.117130 1.105955 0.80989410E+01 0.78657664E+02 1.680373 1.598473 -0.854428 2.470670 0.999118 3.280396 8.730517 0.533064 1.183079 -0.733059 0.017921 0.002713 -0.034607 0.039066 0.004553 -0.013996 -0.002737 -0.013311 0.017816 -0.018161 0.002189 0.015972 1.699393 1.509641 0.021617 -0.319409 1.602287 0.174110 1.986252 0.000001 62 H 11.642388 12.993486 3.352329 0.105961 1.229323 0.92547092E+01 0.94603824E+02 1.906839 1.784385 -1.403901 2.202287 0.992157 3.884761 11.243667 0.464424 1.290165 -0.704663 -0.012480 -0.029877 0.016704 0.036434 0.002705 -0.009268 -0.001592 -0.021339 0.016653 -0.017362 0.006112 0.011250 1.969687 1.784250 0.407973 -0.228417 2.464121 -0.183380 1.660688 0.000000 63 H 11.384418 -2.104157 4.475669 0.120552 1.220732 0.91036344E+01 0.91148343E+02 1.804365 1.703252 -1.017712 2.398735 0.997720 3.390058 9.196969 0.511915 1.195017 -0.730339 -0.019522 0.001486 0.037443 0.042253 0.002530 -0.013791 -0.004244 -0.007515 0.021961 -0.015685 -0.001344 0.017030 1.835581 1.636415 0.034545 -0.413176 1.664180 0.173999 2.206148 0.000000 64 H 11.788081 0.644342 14.084499 0.115995 1.165557 0.91754062E+01 0.93534896E+02 1.852283 1.789976 -1.108770 2.348037 0.996492 3.701100 10.676184 0.458836 1.309485 -0.702475 0.009377 -0.032004 -0.017380 0.037607 -0.006636 -0.003110 0.004319 -0.023903 0.012875 -0.016007 0.001934 0.014073 1.874925 1.608478 -0.229519 -0.099088 2.145721 0.154877 1.870576 0.000000 65 H 11.311891 4.665926 13.934131 0.113331 1.142485 0.89163118E+01 0.90482367E+02 1.830106 1.763172 -1.452322 2.185098 0.992248 3.866627 11.224257 0.461628 1.307481 -0.700902 -0.000189 0.030614 -0.017446 0.035236 0.001755 -0.003397 -0.005212 -0.023233 0.002466 -0.012879 -0.000828 0.013708 1.861311 1.489303 -0.068631 -0.023252 2.148135 -0.186313 1.946494 0.000001 66 H 12.963342 11.309113 2.744959 0.112570 1.226941 0.97196092E+01 0.10015933E+03 1.880619 1.811693 -1.342162 2.235240 0.993704 3.796556 10.882312 0.469366 1.266344 -0.710935 -0.003479 0.003009 0.033994 0.034303 -0.001561 0.000483 0.002928 -0.013168 0.040871 -0.013603 -0.000615 0.014218 1.903183 1.583104 -0.157938 -0.135619 1.864823 -0.023989 2.261622 0.000000 67 C 5.709447 11.739210 4.570018 0.609176 24.298450 0.25791455E+03 0.53840256E+04 7.786758 5.716593 -0.145832 2.000783 0.999296 22.606605 63.621157 0.617511 0.475149 -1.017720 -0.007767 0.040960 0.045046 0.061377 0.036704 -0.039345 -0.050218 0.120606 -0.069114 -0.087933 -0.016469 0.104402 9.654532 5.588976 -1.232959 1.100172 12.422955 4.077078 10.951665 0.000001 68 C 5.769740 10.556891 3.647169 -0.036195 36.314817 0.44014521E+03 0.10310491E+05 9.561013 6.975577 -0.055410 1.987912 0.999195 27.353846 76.798189 0.630706 0.414568 -1.072544 0.004052 -0.035074 -0.029872 0.046248 -0.003326 0.000059 -0.000444 -0.001521 0.022238 -0.007122 -0.000313 0.007435 12.283700 6.138371 -0.135182 1.660785 16.382374 6.953795 14.330356 -0.000001 69 C 5.336267 10.656267 2.323338 -0.094446 31.900984 0.41238044E+03 0.95608609E+04 8.719144 6.761895 0.099501 2.004482 0.999644 28.818196 82.076246 0.635385 0.415786 -1.065384 0.017014 -0.022689 0.003992 0.028639 -0.007824 -0.000380 -0.028129 -0.010380 -0.020415 -0.029220 -0.001941 0.031160 10.238721 5.791721 0.292930 1.949270 12.925642 4.585378 11.998801 0.000000 70 C 5.337578 9.540775 1.530219 -0.150682 33.394648 0.44128776E+03 0.10418715E+05 9.006210 7.003927 0.174671 2.023346 0.999806 29.684164 85.659911 0.622331 0.416862 -1.063380 0.015578 0.012871 0.021769 0.029702 0.001778 0.009761 -0.011794 0.005592 0.089736 -0.022318 -0.012140 0.034457 10.552028 5.878000 0.216182 1.628633 14.766274 4.318589 11.011809 0.000000 71 C 5.750334 8.298490 2.004911 0.084168 36.240949 0.42120670E+03 0.97922823E+04 9.684756 6.920942 -0.117357 1.973400 0.999324 26.623061 75.297250 0.617804 0.426448 -1.061370 0.000957 0.007206 0.000173 0.007272 0.010221 -0.014627 0.006446 -0.018325 0.018292 -0.024993 0.010676 0.014316 12.518535 6.227012 1.255271 2.138925 18.299361 6.741060 13.029232 0.000002 72 C 6.211988 8.238523 3.311051 -0.147548 33.344052 0.43135809E+03 0.10111490E+05 9.000377 6.913482 0.196919 2.033594 0.999822 29.322942 83.907114 0.628843 0.415515 -1.065820 -0.002284 0.023599 0.011497 0.026350 -0.009007 0.004624 -0.021569 -0.021530 -0.040307 -0.024514 -0.006935 0.031449 10.710592 6.095944 1.074210 2.276483 13.833854 5.328234 12.201979 0.000000 73 C 6.223690 9.364297 4.110067 -0.082443 31.276053 0.40622194E+03 0.94086936E+04 8.689435 6.761839 0.027314 1.987277 0.999703 28.733223 82.535453 0.626531 0.422083 -1.058458 -0.003736 -0.006971 -0.025666 0.026857 0.004651 0.000450 -0.015583 0.037069 0.058187 -0.033376 0.009281 0.024095 10.189114 5.825428 0.357752 1.701022 13.963550 4.572804 10.778364 0.000001 74 C 3.930689 -2.709006 8.022592 0.580139 25.608118 0.26362427E+03 0.55149286E+04 7.998221 5.733335 -0.046201 2.032982 0.999639 22.553233 62.847309 0.626168 0.467585 -1.025239 0.000215 -0.030474 -0.061774 0.068882 0.074426 0.008636 0.017830 0.026819 -0.257413 -0.088566 -0.031548 0.120114 10.005197 6.042522 -2.079971 -1.123843 7.199016 0.329893 16.774053 0.000001 75 C 3.910827 -2.715853 9.514482 -0.037293 36.923274 0.44536460E+03 0.10460584E+05 9.631067 7.006484 0.012278 2.009136 0.999316 27.409238 76.984993 0.630885 0.413348 -1.073638 0.002466 0.001263 0.044851 0.044937 0.003072 0.004977 0.003384 -0.010074 0.004859 -0.008472 -0.000143 0.008615 12.193001 6.878967 -2.171277 -1.865693 8.462889 1.111460 21.237147 -0.000001 76 C 3.364007 -1.634631 10.198510 -0.088085 32.157471 0.42062659E+03 0.98208604E+04 8.826256 6.870857 0.098073 2.007103 0.999716 28.969852 83.363794 0.623300 0.420878 -1.059938 0.013015 -0.014897 0.018131 0.026834 -0.001140 0.002617 -0.017595 -0.008035 -0.067465 -0.029528 0.007069 0.022460 10.234050 6.570457 -2.267840 -1.571931 8.114877 1.151768 16.016816 -0.000001 77 C 3.376107 -1.605495 11.581309 -0.142491 32.214274 0.44526649E+03 0.10583007E+05 8.905335 7.115245 0.000478 1.975810 0.998891 29.915122 87.876126 0.604402 0.426374 -1.052729 0.004587 -0.004585 -0.024727 0.025563 0.000318 -0.006018 0.012700 -0.018187 -0.036356 -0.019155 -0.001157 0.020313 10.149612 6.673761 -1.991807 -0.764031 8.072783 -0.180166 15.702293 0.000001 78 C 3.927866 -2.635305 12.300718 0.092269 34.749981 0.42347825E+03 0.98960379E+04 9.519570 7.015495 -0.225259 1.945025 0.999148 26.787132 76.909981 0.601394 0.435830 -1.051590 -0.001711 -0.002559 -0.003388 0.004577 0.020896 -0.000770 0.004793 -0.012218 0.021233 -0.025684 0.006491 0.019193 11.889788 6.878481 -1.765929 -1.818598 8.465308 0.527839 20.325575 -0.000000 79 C 4.525891 -3.704533 11.622586 -0.140449 33.339752 0.45813006E+03 0.10940966E+05 9.133587 7.223336 0.050832 1.993030 0.999082 29.743600 86.915882 0.600511 0.427089 -1.054749 -0.001994 0.003517 -0.022340 0.022703 -0.010098 0.006886 -0.017429 -0.007956 -0.046830 -0.024209 -0.002463 0.026672 10.706858 7.252399 -1.707330 -2.284419 7.959355 1.704016 16.908819 0.000001 80 C 4.493140 -3.749090 10.233891 -0.101285 32.587821 0.44767937E+03 0.10658052E+05 9.022653 7.162613 -0.041804 1.957803 0.999541 29.893548 87.974954 0.598671 0.429741 -1.050334 -0.009718 0.010720 0.021775 0.026144 0.006647 0.004794 0.014322 -0.023063 -0.092726 -0.034523 0.002165 0.032358 10.440070 6.900709 -1.644066 -1.448146 7.981412 0.614500 16.438089 -0.000001 81 C 4.677145 -0.352963 3.832918 0.567168 25.668508 0.26154695E+03 0.54652266E+04 8.038229 5.711723 -0.105665 2.009455 0.999549 22.801872 63.677491 0.626660 0.467752 -1.024291 -0.004303 -0.036679 0.023650 0.043854 0.013597 0.042282 0.023201 0.167470 -0.077309 -0.080762 -0.031233 0.111995 10.218305 4.933165 -0.578028 -1.248782 15.735455 -4.285197 9.986296 0.000001 82 C 4.708068 0.964715 3.084025 -0.017195 39.268685 0.44005086E+03 0.10292912E+05 10.040264 6.955434 -0.033900 1.994353 0.999227 27.233543 76.045258 0.635176 0.412265 -1.075584 -0.006949 0.032913 -0.018489 0.038385 0.011264 -0.008148 0.002736 -0.012306 0.009376 -0.017792 0.005977 0.011815 13.169566 6.466880 -1.147706 -1.931969 21.121926 -6.227218 11.919892 -0.000001 83 C 5.370812 1.007547 1.863388 -0.101856 34.153942 0.42566188E+03 0.99613406E+04 9.173931 6.900950 0.019882 1.975782 0.999661 29.285445 84.184091 0.623834 0.419551 -1.061489 -0.008393 0.022677 0.001225 0.024212 -0.008906 -0.004730 0.023305 -0.007824 -0.011876 -0.023050 -0.005010 0.028060 10.871016 6.109617 -0.524759 -2.070075 15.955104 -4.232473 10.548327 -0.000001 84 C 5.524332 2.217275 1.197050 -0.144224 35.386284 0.44059691E+03 0.10396577E+05 9.398537 7.013820 0.123041 2.007695 0.999751 29.637201 85.453345 0.619952 0.418696 -1.062392 -0.004401 -0.017770 0.012504 0.022169 -0.000158 -0.019305 0.006434 0.014573 0.073559 -0.021253 -0.013442 0.034696 11.348210 6.108613 -0.975697 -1.606878 18.278594 -3.960620 9.657422 0.000000 85 C 5.015106 3.385884 1.751349 0.078606 36.655848 0.41808562E+03 0.97124310E+04 9.755508 6.900818 -0.146603 1.964786 0.999374 26.736015 75.862626 0.617271 0.427137 -1.059766 -0.006595 -0.004930 0.005267 0.009775 0.003388 0.012225 -0.010023 -0.032525 0.021455 -0.025799 0.004835 0.020964 12.609386 6.860886 0.707448 -2.905820 19.618967 -5.308457 11.348306 0.000001 86 C 4.351993 3.343052 2.974934 -0.150861 36.346031 0.46089071E+03 0.11042619E+05 9.653635 7.234464 -0.033046 1.957413 0.999181 30.360658 89.368895 0.600324 0.425840 -1.053688 0.008000 -0.023251 0.004958 0.025083 -0.002707 0.002405 0.019070 -0.022149 -0.009875 -0.017492 -0.007929 0.025421 11.578847 7.057339 -0.689290 -2.680816 16.490215 -4.547694 11.188986 -0.000000 87 C 4.198474 2.133325 3.641272 -0.099229 34.865465 0.42755444E+03 0.10030561E+05 9.332300 6.929208 0.004669 1.971675 0.999614 29.405189 85.015792 0.619962 0.421121 -1.059036 0.012668 0.006975 -0.019064 0.023928 0.005718 -0.011463 0.003581 0.022852 0.068577 -0.025060 -0.002582 0.027642 11.240882 6.313763 -1.467828 -1.812959 17.574822 -3.961630 9.834060 -0.000000 88 C 5.687004 7.061339 1.191153 0.081033 38.962616 0.42474625E+03 0.99092867E+04 10.140081 6.944150 -0.158399 1.954925 0.999341 27.003645 76.862853 0.616671 0.425736 -1.060310 -0.001586 -0.010627 -0.003851 0.011414 -0.003628 0.009648 0.008124 -0.023881 0.006735 -0.019325 0.003458 0.015867 13.323644 6.057382 2.510788 -0.230311 18.880571 5.147832 15.032979 -0.000000 89 C 3.982807 -1.470115 14.526759 -0.204500 37.338772 0.50569714E+03 0.12390492E+05 9.812639 7.561945 -0.029027 1.951902 0.999443 31.367315 93.126620 0.589522 0.424041 -1.055652 -0.000553 -0.012020 0.006099 0.013490 0.005623 0.002300 -0.029432 -0.013802 -0.061626 -0.037191 0.003434 0.033757 11.696945 6.026627 1.472523 -0.715851 12.216360 4.010199 16.847847 0.000001 90 C 3.873973 -2.650720 13.783763 0.087217 37.143980 0.42327861E+03 0.98875895E+04 9.891967 6.979700 -0.210193 1.943409 0.999281 26.996309 77.428771 0.607524 0.431597 -1.054438 -0.010263 0.004052 0.010584 0.015290 -0.010238 -0.005099 -0.000036 0.004261 0.036851 -0.016969 0.002777 0.014192 12.642442 5.836427 1.389389 -1.409553 11.698709 0.638556 20.392191 -0.000000 91 C 3.700539 -3.860448 14.438307 -0.200776 37.497192 0.51116490E+03 0.12593649E+05 9.955250 7.683817 -0.248094 1.879613 0.998270 31.751620 95.402486 0.573973 0.433136 -1.047109 -0.008040 0.010168 0.012176 0.017785 -0.013110 0.002890 0.026399 0.018883 -0.085322 -0.044207 0.011749 0.032458 11.776979 5.993935 1.638199 -1.799559 12.740102 -3.637985 16.596901 0.000001 92 C 5.404368 4.648731 1.105649 0.088353 37.888616 0.41872553E+03 0.97398645E+04 9.970357 6.903710 -0.200586 1.943946 0.999147 26.894197 76.587772 0.616901 0.426842 -1.058987 -0.000403 0.007917 -0.004570 0.009151 -0.014476 -0.004538 -0.004164 -0.012720 0.003567 -0.018303 0.003008 0.015295 12.982251 5.897172 2.522689 -1.481990 19.815257 -3.653618 13.234324 -0.000002 93 C 5.454564 5.844757 1.804420 -0.207328 37.250027 0.49050502E+03 0.11971191E+05 9.895682 7.517621 -0.246268 1.880320 0.998464 31.677650 95.005470 0.580849 0.432065 -1.046835 -0.003869 -0.002101 -0.015959 0.016555 -0.002625 0.010165 -0.008966 0.068688 0.074795 -0.047940 0.013360 0.034581 11.914191 6.123511 2.678707 -0.699830 19.595088 0.906923 10.023972 0.000001 94 C 7.725850 -3.171641 10.171974 0.609177 24.298450 0.25791457E+03 0.53840258E+04 7.786758 5.716592 -0.145832 2.000783 0.999296 22.606605 63.621154 0.617511 0.475149 -1.017720 0.007767 -0.040960 -0.045046 0.061377 0.036704 -0.039345 -0.050218 0.120606 -0.069114 -0.087933 -0.016469 0.104402 9.654531 5.588976 -1.232959 1.100171 12.422954 4.077078 10.951663 0.000001 95 C 7.665557 -1.989322 11.094823 -0.036195 36.314816 0.44014521E+03 0.10310491E+05 9.561013 6.975576 -0.055409 1.987912 0.999195 27.353846 76.798186 0.630706 0.414568 -1.072544 -0.004052 0.035074 0.029872 0.046248 -0.003326 0.000059 -0.000444 -0.001521 0.022238 -0.007122 -0.000313 0.007435 12.283699 6.138371 -0.135183 1.660785 16.382373 6.953794 14.330355 -0.000001 96 C 8.099030 -2.088698 12.418654 -0.094446 31.900981 0.41238041E+03 0.95608599E+04 8.719143 6.761894 0.099501 2.004482 0.999644 28.818195 82.076240 0.635385 0.415786 -1.065384 -0.017014 0.022689 -0.003992 0.028639 -0.007824 -0.000380 -0.028129 -0.010380 -0.020415 -0.029220 -0.001941 0.031160 10.238720 5.791721 0.292930 1.949269 12.925640 4.585377 11.998799 0.000000 97 C 8.097719 -0.973206 13.211773 -0.150682 33.394649 0.44128778E+03 0.10418716E+05 9.006210 7.003927 0.174671 2.023346 0.999806 29.684165 85.659914 0.622331 0.416862 -1.063380 -0.015578 -0.012871 -0.021769 0.029702 0.001778 0.009761 -0.011794 0.005592 0.089736 -0.022318 -0.012140 0.034457 10.552028 5.878000 0.216182 1.628633 14.766274 4.318589 11.011809 0.000000 98 C 7.684963 0.269079 12.737081 0.084168 36.240948 0.42120670E+03 0.97922823E+04 9.684755 6.920942 -0.117357 1.973400 0.999324 26.623061 75.297248 0.617804 0.426448 -1.061370 -0.000957 -0.007206 -0.000173 0.007272 0.010221 -0.014627 0.006446 -0.018325 0.018292 -0.024993 0.010676 0.014316 12.518534 6.227012 1.255271 2.138925 18.299360 6.741059 13.029231 0.000002 99 C 7.223309 0.329046 11.430941 -0.147548 33.344053 0.43135810E+03 0.10111490E+05 9.000378 6.913482 0.196919 2.033594 0.999822 29.322943 83.907122 0.628842 0.415515 -1.065820 0.002284 -0.023599 -0.011497 0.026350 -0.009007 0.004624 -0.021569 -0.021530 -0.040307 -0.024514 -0.006935 0.031449 10.710593 6.095944 1.074209 2.276483 13.833855 5.328234 12.201980 -0.000000 100 C 7.211607 -0.796728 10.631925 -0.082443 31.276054 0.40622195E+03 0.94086938E+04 8.689435 6.761838 0.027314 1.987277 0.999703 28.733224 82.535456 0.626531 0.422083 -1.058458 0.003736 0.006971 0.025666 0.026857 0.004651 0.000450 -0.015583 0.037069 0.058187 -0.033376 0.009281 0.024095 10.189114 5.825427 0.357752 1.701022 13.963549 4.572804 10.778364 0.000002 101 C 9.504608 11.276575 6.719400 0.580139 25.608121 0.26362430E+03 0.55149292E+04 7.998221 5.733335 -0.046202 2.032982 0.999639 22.553234 62.847309 0.626168 0.467585 -1.025239 -0.000215 0.030474 0.061774 0.068882 0.074426 0.008636 0.017830 0.026819 -0.257413 -0.088566 -0.031548 0.120114 10.005197 6.042523 -2.079972 -1.123843 7.199016 0.329893 16.774053 0.000001 102 C 9.524470 11.283422 5.227510 -0.037293 36.923274 0.44536459E+03 0.10460584E+05 9.631068 7.006484 0.012278 2.009136 0.999316 27.409238 76.984995 0.630885 0.413348 -1.073638 -0.002466 -0.001263 -0.044851 0.044937 0.003072 0.004977 0.003384 -0.010074 0.004859 -0.008472 -0.000143 0.008615 12.193001 6.878967 -2.171277 -1.865693 8.462889 1.111460 21.237148 -0.000001 103 C 10.071290 10.202200 4.543482 -0.088085 32.157475 0.42062666E+03 0.98208624E+04 8.826257 6.870858 0.098073 2.007103 0.999716 28.969854 83.363799 0.623300 0.420878 -1.059938 -0.013015 0.014897 -0.018131 0.026834 -0.001140 0.002617 -0.017595 -0.008035 -0.067465 -0.029528 0.007069 0.022460 10.234051 6.570458 -2.267840 -1.571931 8.114877 1.151768 16.016817 -0.000001 104 C 10.059190 10.173064 3.160683 -0.142491 32.214275 0.44526651E+03 0.10583008E+05 8.905335 7.115245 0.000477 1.975810 0.998891 29.915123 87.876130 0.604402 0.426374 -1.052729 -0.004587 0.004585 0.024727 0.025563 0.000318 -0.006018 0.012700 -0.018187 -0.036356 -0.019155 -0.001157 0.020313 10.149613 6.673761 -1.991807 -0.764031 8.072783 -0.180165 15.702293 0.000001 105 C 9.507431 11.202874 2.441274 0.092269 34.749981 0.42347825E+03 0.98960378E+04 9.519570 7.015495 -0.225259 1.945025 0.999148 26.787132 76.909982 0.601394 0.435830 -1.051590 0.001711 0.002559 0.003388 0.004577 0.020896 -0.000770 0.004793 -0.012218 0.021233 -0.025684 0.006491 0.019193 11.889788 6.878481 -1.765929 -1.818598 8.465308 0.527839 20.325576 -0.000000 106 C 8.909406 12.272102 3.119406 -0.140449 33.339753 0.45813006E+03 0.10940966E+05 9.133588 7.223336 0.050832 1.993030 0.999082 29.743600 86.915884 0.600511 0.427089 -1.054749 0.001994 -0.003517 0.022340 0.022703 -0.010098 0.006886 -0.017429 -0.007956 -0.046830 -0.024209 -0.002463 0.026672 10.706858 7.252399 -1.707330 -2.284420 7.959356 1.704016 16.908819 0.000001 107 C 8.942157 12.316659 4.508101 -0.101285 32.587822 0.44767940E+03 0.10658052E+05 9.022653 7.162613 -0.041804 1.957802 0.999541 29.893549 87.974958 0.598671 0.429741 -1.050334 0.009718 -0.010720 -0.021775 0.026144 0.006647 0.004794 0.014322 -0.023063 -0.092726 -0.034523 0.002165 0.032358 10.440071 6.900709 -1.644065 -1.448147 7.981412 0.614501 16.438090 -0.000001 108 C 8.758152 8.920532 10.909074 0.567168 25.668508 0.26154695E+03 0.54652266E+04 8.038229 5.711723 -0.105665 2.009455 0.999549 22.801872 63.677488 0.626660 0.467752 -1.024291 0.004303 0.036679 -0.023650 0.043854 0.013597 0.042282 0.023201 0.167470 -0.077309 -0.080762 -0.031233 0.111995 10.218305 4.933165 -0.578028 -1.248782 15.735453 -4.285196 9.986295 0.000001 109 C 8.727229 7.602854 11.657967 -0.017195 39.268682 0.44005083E+03 0.10292911E+05 10.040264 6.955434 -0.033900 1.994353 0.999227 27.233542 76.045253 0.635176 0.412265 -1.075584 0.006949 -0.032913 0.018489 0.038385 0.011264 -0.008148 0.002736 -0.012306 0.009376 -0.017792 0.005977 0.011815 13.169565 6.466880 -1.147706 -1.931969 21.121925 -6.227218 11.919891 -0.000001 110 C 8.064485 7.560022 12.878604 -0.101856 34.153939 0.42566186E+03 0.99613398E+04 9.173930 6.900950 0.019882 1.975782 0.999661 29.285444 84.184084 0.623834 0.419551 -1.061489 0.008393 -0.022677 -0.001225 0.024212 -0.008906 -0.004730 0.023305 -0.007824 -0.011876 -0.023050 -0.005010 0.028060 10.871015 6.109617 -0.524759 -2.070075 15.955103 -4.232472 10.548326 -0.000001 111 C 7.910965 6.350294 13.544942 -0.144224 35.386283 0.44059691E+03 0.10396577E+05 9.398537 7.013820 0.123041 2.007695 0.999751 29.637201 85.453345 0.619952 0.418696 -1.062392 0.004401 0.017770 -0.012504 0.022169 -0.000158 -0.019304 0.006434 0.014573 0.073559 -0.021253 -0.013442 0.034696 11.348209 6.108612 -0.975697 -1.606878 18.278593 -3.960620 9.657422 0.000000 112 C 8.420191 5.181685 12.990643 0.078606 36.655846 0.41808559E+03 0.97124303E+04 9.755507 6.900818 -0.146603 1.964786 0.999374 26.736014 75.862623 0.617271 0.427137 -1.059766 0.006595 0.004930 -0.005267 0.009775 0.003388 0.012225 -0.010023 -0.032525 0.021455 -0.025799 0.004835 0.020964 12.609386 6.860886 0.707448 -2.905820 19.618966 -5.308456 11.348305 0.000001 113 C 9.083304 5.224517 11.767058 -0.150861 36.346030 0.46089069E+03 0.11042618E+05 9.653634 7.234464 -0.033047 1.957413 0.999181 30.360658 89.368895 0.600324 0.425840 -1.053688 -0.008000 0.023251 -0.004958 0.025083 -0.002707 0.002405 0.019070 -0.022149 -0.009875 -0.017492 -0.007929 0.025422 11.578846 7.057339 -0.689290 -2.680816 16.490214 -4.547693 11.188986 -0.000000 114 C 9.236823 6.434244 11.100720 -0.099229 34.865465 0.42755444E+03 0.10030561E+05 9.332300 6.929208 0.004669 1.971675 0.999614 29.405189 85.015787 0.619962 0.421121 -1.059036 -0.012668 -0.006975 0.019064 0.023928 0.005718 -0.011463 0.003581 0.022852 0.068577 -0.025060 -0.002582 0.027642 11.240881 6.313763 -1.467828 -1.812959 17.574822 -3.961629 9.834059 0.000000 115 C 7.748293 1.506230 13.550839 0.081033 38.962614 0.42474622E+03 0.99092860E+04 10.140080 6.944150 -0.158399 1.954925 0.999341 27.003644 76.862850 0.616671 0.425736 -1.060310 0.001586 0.010627 0.003851 0.011414 -0.003628 0.009648 0.008124 -0.023881 0.006735 -0.019325 0.003458 0.015867 13.323643 6.057381 2.510788 -0.230311 18.880569 5.147832 15.032979 -0.000000 116 C 9.452490 10.037684 0.215233 -0.204500 37.338775 0.50569717E+03 0.12390493E+05 9.812640 7.561946 -0.029027 1.951901 0.999443 31.367317 93.126630 0.589522 0.424041 -1.055652 0.000553 0.012020 -0.006099 0.013490 0.005623 0.002300 -0.029432 -0.013802 -0.061626 -0.037191 0.003434 0.033757 11.696946 6.026628 1.472523 -0.715851 12.216362 4.010200 16.847849 0.000001 117 C 9.561324 11.218289 0.958229 0.087217 37.143980 0.42327861E+03 0.98875895E+04 9.891967 6.979700 -0.210193 1.943409 0.999281 26.996309 77.428771 0.607524 0.431597 -1.054438 0.010263 -0.004052 -0.010584 0.015290 -0.010238 -0.005099 -0.000036 0.004261 0.036851 -0.016969 0.002777 0.014192 12.642442 5.836427 1.389388 -1.409553 11.698708 0.638556 20.392191 -0.000000 118 C 9.734758 12.428017 0.303685 -0.200776 37.497191 0.51116488E+03 0.12593649E+05 9.955250 7.683817 -0.248094 1.879613 0.998270 31.751619 95.402484 0.573973 0.433136 -1.047109 0.008040 -0.010168 -0.012176 0.017785 -0.013110 0.002890 0.026399 0.018883 -0.085322 -0.044207 0.011749 0.032458 11.776979 5.993935 1.638199 -1.799559 12.740102 -3.637985 16.596901 0.000001 119 C 8.030929 3.918838 13.636343 0.088353 37.888616 0.41872554E+03 0.97398646E+04 9.970356 6.903710 -0.200586 1.943946 0.999147 26.894197 76.587771 0.616901 0.426842 -1.058987 0.000403 -0.007917 0.004570 0.009151 -0.014476 -0.004538 -0.004164 -0.012720 0.003567 -0.018303 0.003008 0.015295 12.982250 5.897172 2.522689 -1.481990 19.815256 -3.653618 13.234324 -0.000001 120 C 7.980733 2.722812 12.937572 -0.207328 37.250026 0.49050500E+03 0.11971190E+05 9.895682 7.517621 -0.246268 1.880320 0.998464 31.677649 95.005468 0.580849 0.432065 -1.046835 0.003869 0.002101 0.015959 0.016555 -0.002625 0.010165 -0.008966 0.068688 0.074795 -0.047940 0.013360 0.034581 11.914190 6.123511 2.678707 -0.699830 19.595087 0.906924 10.023972 0.000001 121 C 0.087350 3.171736 10.171974 0.609185 24.298779 0.25791806E+03 0.53841123E+04 7.786818 5.716627 -0.145811 2.000782 0.999296 22.606627 63.621108 0.617511 0.475148 -1.017722 0.007770 0.040956 -0.045024 0.061359 -0.036706 -0.039353 0.050217 0.120594 -0.069115 -0.087928 -0.016476 0.104404 9.654617 5.589005 1.232964 1.100188 12.423014 -4.077137 10.951831 0.000001 122 C 0.027057 1.989425 11.094823 -0.036225 36.314640 0.44014336E+03 0.10310414E+05 9.560850 6.975469 -0.055279 1.987955 0.999193 27.353956 76.797817 0.630725 0.414557 -1.072553 -0.004084 -0.035097 0.029851 0.046255 0.003351 0.000060 0.000470 -0.001484 0.022167 -0.007131 -0.000283 0.007414 12.283443 6.138273 0.135206 1.660745 16.381966 -6.953579 14.330090 -0.000001 123 C 0.460530 2.088815 12.418654 -0.094514 31.904777 0.41244194E+03 0.95626762E+04 8.719981 6.762535 0.099302 2.004399 0.999644 28.820155 82.084430 0.635334 0.415803 -1.065370 -0.017005 -0.022658 -0.004052 0.028618 0.007811 -0.000372 0.028156 -0.010325 -0.020422 -0.029250 -0.001917 0.031167 10.239748 5.792272 -0.293065 1.949500 12.926795 -4.586064 12.000176 0.000000 124 C 0.459219 0.973330 13.211773 -0.150561 33.389508 0.44120245E+03 0.10416147E+05 9.005115 7.003101 0.174945 2.023461 0.999806 29.681339 85.648122 0.622390 0.416845 -1.063396 -0.015586 0.012893 -0.021800 0.029739 -0.001780 0.009779 0.011763 0.005503 0.089748 -0.022284 -0.012171 0.034455 10.550669 5.877298 -0.216109 1.628478 14.764076 -4.317862 11.010632 0.000000 125 C 0.046463 -0.268960 12.737081 0.084121 36.242687 0.42123118E+03 0.97929805E+04 9.685014 6.921122 -0.117365 1.973390 0.999324 26.623738 75.299332 0.617800 0.426446 -1.061373 -0.000959 0.007212 -0.000198 0.007278 -0.010238 -0.014611 -0.006445 -0.018308 0.018263 -0.024985 0.010688 0.014296 12.518871 6.227158 -1.255325 2.138996 18.299853 -6.741271 13.029603 0.000002 126 C -0.415191 -0.328938 11.430941 -0.147495 33.342213 0.43132857E+03 0.10110607E+05 8.999958 6.913176 0.196984 2.033621 0.999822 29.322053 83.903289 0.628867 0.415507 -1.065827 0.002255 0.023537 -0.011529 0.026306 0.009038 0.004637 0.021585 -0.021584 -0.040350 -0.024531 -0.006968 0.031499 10.710049 6.095647 -1.074079 2.276343 13.833193 -5.327844 12.201307 0.000000 127 C -0.426893 0.796827 10.631925 -0.082454 31.276321 0.40622606E+03 0.94088032E+04 8.689472 6.761874 0.027253 1.987255 0.999702 28.733302 82.535461 0.626530 0.422083 -1.058459 0.003751 -0.006967 0.025670 0.026862 -0.004642 0.000442 0.015577 0.037093 0.058186 -0.033381 0.009290 0.024091 10.189145 5.825439 -0.357727 1.700999 13.963659 -4.572808 10.778338 0.000001 128 C 1.866108 5.858488 6.719400 0.579958 25.612112 0.26367178E+03 0.55161721E+04 7.998984 5.733820 -0.046308 2.032913 0.999639 22.555485 62.855052 0.626147 0.467580 -1.025241 -0.000241 -0.030529 0.061801 0.068930 -0.074474 0.008638 -0.017840 0.026893 -0.257489 -0.088595 -0.031586 0.120181 10.006225 6.043069 2.080158 -1.124066 7.199607 -0.329942 16.775999 0.000001 129 C 1.885970 5.851627 5.227510 -0.037243 36.921926 0.44534314E+03 0.10459952E+05 9.630855 7.006324 0.012326 2.009159 0.999316 27.408501 76.982402 0.630891 0.413349 -1.073638 -0.002461 0.001276 -0.044791 0.044877 -0.003067 0.004983 -0.003376 -0.010063 0.005021 -0.008485 -0.000123 0.008607 12.192730 6.878816 2.171222 -1.865688 8.462704 -1.111388 21.236671 -0.000001 130 C 2.432790 6.932842 4.543482 -0.088092 32.157672 0.42062860E+03 0.98209159E+04 8.826249 6.870832 0.098101 2.007108 0.999716 28.970027 83.364250 0.623307 0.420873 -1.059942 -0.013004 -0.014890 -0.018126 0.026821 0.001139 0.002596 0.017580 -0.008048 -0.067485 -0.029520 0.007066 0.022455 10.234058 6.570450 2.267843 -1.571942 8.114867 -1.151694 16.016858 -0.000001 131 C 2.420690 6.961965 3.160683 -0.142519 32.215073 0.44528044E+03 0.10583449E+05 8.905610 7.115457 0.000388 1.975780 0.998891 29.915511 87.878483 0.604379 0.426386 -1.052719 -0.004590 -0.004595 0.024739 0.025577 -0.000349 -0.006030 -0.012723 -0.018181 -0.036410 -0.019195 -0.001133 0.020328 10.149945 6.673961 1.991844 -0.764052 8.072986 0.180302 15.702887 0.000001 132 C 1.868931 5.932148 2.441274 0.092245 34.750009 0.42347979E+03 0.98960484E+04 9.519415 7.015381 -0.225096 1.945077 0.999147 26.787224 76.909276 0.601417 0.435814 -1.051604 0.001723 -0.002504 0.003405 0.004565 -0.020876 -0.000773 -0.004767 -0.012248 0.021214 -0.025663 0.006493 0.019170 11.889577 6.878376 1.765879 -1.818561 8.465144 -0.527731 20.325210 -0.000000 133 C 1.270906 4.862928 3.119406 -0.140461 33.341044 0.45815279E+03 0.10941668E+05 9.133952 7.223629 0.050675 1.992973 0.999082 29.744204 86.918868 0.600484 0.427102 -1.054738 0.001994 0.003540 0.022291 0.022658 0.010119 0.006853 0.017420 -0.007958 -0.046893 -0.024211 -0.002464 0.026674 10.707296 7.252712 1.707357 -2.284623 7.959608 -1.704124 16.909568 0.000001 134 C 1.303657 4.818383 4.508101 -0.101225 32.585818 0.44764410E+03 0.10656995E+05 9.022286 7.162331 -0.041594 1.957877 0.999542 29.892254 87.970050 0.598683 0.429741 -1.050335 0.009733 0.010713 -0.021797 0.026165 -0.006639 0.004773 -0.014330 -0.023058 -0.092668 -0.034505 0.002161 0.032345 10.439617 6.900427 1.644017 -1.448080 7.981148 -0.614438 16.437277 -0.000001 135 C 1.119652 8.214570 10.909074 0.567177 25.668286 0.26154503E+03 0.54651772E+04 8.038184 5.711702 -0.105695 2.009445 0.999549 22.801831 63.677356 0.626661 0.467752 -1.024290 0.004307 -0.036681 -0.023649 0.043855 -0.013600 0.042283 -0.023203 0.167472 -0.077320 -0.080764 -0.031235 0.111999 10.218230 4.933146 0.578026 -1.248772 15.735355 4.285127 9.986188 0.000001 136 C 1.088729 9.532255 11.657967 -0.017194 39.268533 0.44005002E+03 0.10292889E+05 10.040248 6.955435 -0.033931 1.994345 0.999227 27.233531 76.045264 0.635175 0.412266 -1.075583 0.006966 0.032921 0.018494 0.038397 -0.011244 -0.008137 -0.002749 -0.012292 0.009343 -0.017769 0.005978 0.011790 13.169527 6.466880 1.147706 -1.931963 21.121884 6.227172 11.919816 -0.000001 137 C 0.425985 9.575098 12.878604 -0.101851 34.153549 0.42565727E+03 0.99612049E+04 9.173862 6.900920 0.019937 1.975799 0.999661 29.285275 84.183460 0.623834 0.419551 -1.061488 0.008398 0.022682 -0.001231 0.024218 0.008918 -0.004726 -0.023310 -0.007841 -0.011902 -0.023056 -0.005016 0.028072 10.870905 6.109594 0.524777 -2.070059 15.954938 4.232353 10.548182 -0.000001 138 C 0.272465 -6.350168 13.544942 -0.144241 35.386657 0.44060419E+03 0.10396790E+05 9.398601 7.013884 0.122997 2.007678 0.999751 29.637373 85.453935 0.619949 0.418697 -1.062392 0.004397 -0.017795 -0.012524 0.022201 0.000161 -0.019303 -0.006417 0.014544 0.073535 -0.021229 -0.013454 0.034683 11.348269 6.108670 0.975738 -1.606868 18.278751 3.960563 9.657387 0.000000 139 C 0.781691 -5.181563 12.990643 0.078658 36.654834 0.41807165E+03 0.97120520E+04 9.755464 6.900798 -0.146686 1.964758 0.999375 26.735506 75.861650 0.617258 0.427149 -1.059756 0.006591 -0.004932 -0.005265 0.009772 -0.003391 0.012206 0.010030 -0.032558 0.021474 -0.025802 0.004827 0.020975 12.609318 6.860870 -0.707430 -2.905782 19.618931 5.308373 11.348152 0.000001 140 C 1.444804 -5.224406 11.767058 -0.150864 36.346238 0.46089433E+03 0.11042729E+05 9.653658 7.234482 -0.033038 1.957411 0.999180 30.360829 89.369550 0.600325 0.425838 -1.053689 -0.007988 -0.023226 -0.004992 0.025064 0.002718 0.002422 -0.019063 -0.022139 -0.009883 -0.017503 -0.007909 0.025412 11.578879 7.057367 0.689320 -2.680802 16.490327 4.547683 11.188944 -0.000000 141 C 1.598323 -6.434141 11.100720 -0.099249 34.865984 0.42756283E+03 0.10030801E+05 9.332368 6.929259 0.004693 1.971674 0.999614 29.405486 85.016657 0.619963 0.421119 -1.059037 -0.012661 0.006979 0.019058 0.023921 -0.005698 -0.011460 -0.003579 0.022870 0.068563 -0.025054 -0.002583 0.027637 11.240976 6.313808 1.467861 -1.812944 17.575053 3.961664 9.834066 -0.000000 142 C 0.109793 -1.506103 13.550839 0.081048 38.962593 0.42474618E+03 0.99092957E+04 10.140116 6.944190 -0.158545 1.954880 0.999341 27.003609 76.863073 0.616663 0.425741 -1.060306 0.001579 -0.010620 0.003858 0.011409 0.003615 0.009652 -0.008117 -0.023916 0.006748 -0.019334 0.003460 0.015875 13.323653 6.057405 -2.510812 -0.230304 18.880463 -5.147757 15.033092 -0.000000 143 C 1.813990 7.097318 0.215233 -0.204437 37.336214 0.50565406E+03 0.12389160E+05 9.812211 7.561654 -0.029076 1.951902 0.999444 31.365964 93.121254 0.589531 0.424044 -1.055651 0.000522 -0.011958 -0.006071 0.013421 -0.005654 0.002286 0.029456 -0.013819 -0.061618 -0.037208 0.003416 0.033791 11.696385 6.026370 -1.472438 -0.715821 12.215647 -4.009850 16.847136 0.000001 144 C 1.922824 5.916720 0.958229 0.087228 37.144363 0.42328373E+03 0.98877352E+04 9.892030 6.979739 -0.210149 1.943421 0.999282 26.996395 77.429027 0.607523 0.431597 -1.054439 0.010267 0.004049 -0.010574 0.015285 0.010236 -0.005110 0.000029 0.004261 0.036876 -0.016971 0.002764 0.014207 12.642535 5.836472 -1.389376 -1.409596 11.698588 -0.638478 20.392546 -0.000000 145 C 2.096258 4.706986 0.303685 -0.200757 37.496201 0.51114848E+03 0.12593131E+05 9.955163 7.683785 -0.248065 1.879627 0.998270 31.750905 95.399598 0.573964 0.433146 -1.047104 0.008044 0.010161 -0.012173 0.017780 0.013096 0.002892 -0.026411 0.018894 -0.085270 -0.044207 0.011765 0.032442 11.776861 5.993925 -1.638187 -1.799561 12.739856 3.638116 16.596802 0.000001 146 C 0.392429 -3.918711 13.636343 0.088325 37.889415 0.41873717E+03 0.97401925E+04 9.970424 6.903758 -0.200546 1.943952 0.999148 26.894635 76.588978 0.616906 0.426836 -1.058991 0.000405 0.007924 0.004576 0.009160 0.014490 -0.004551 0.004159 -0.012705 0.003543 -0.018314 0.003007 0.015307 12.982340 5.897219 -2.522720 -1.481983 19.815469 3.653690 13.234331 -0.000002 147 C 0.342233 -2.722691 12.937572 -0.207339 37.250219 0.49050907E+03 0.11971314E+05 9.895642 7.517597 -0.246252 1.880326 0.998463 31.677874 95.006212 0.580857 0.432058 -1.046839 0.003856 -0.002102 0.015955 0.016549 0.002631 0.010172 0.008988 0.068699 0.074745 -0.047943 0.013356 0.034588 11.914124 6.123484 -2.678697 -0.699825 19.594911 -0.906893 10.023976 0.000001 148 C 13.347947 5.395833 4.570018 0.609185 24.298779 0.25791806E+03 0.53841120E+04 7.786818 5.716627 -0.145811 2.000782 0.999296 22.606626 63.621105 0.617511 0.475148 -1.017722 -0.007770 -0.040956 0.045024 0.061359 -0.036706 -0.039353 0.050217 0.120594 -0.069115 -0.087928 -0.016476 0.104404 9.654617 5.589005 1.232963 1.100188 12.423013 -4.077138 10.951832 0.000001 149 C 13.408240 6.578144 3.647169 -0.036225 36.314640 0.44014336E+03 0.10310414E+05 9.560850 6.975469 -0.055279 1.987955 0.999193 27.353956 76.797815 0.630725 0.414557 -1.072553 0.004084 0.035097 -0.029851 0.046255 0.003351 0.000060 0.000470 -0.001484 0.022167 -0.007131 -0.000283 0.007414 12.283443 6.138273 0.135206 1.660745 16.381965 -6.953579 14.330090 -0.000001 150 C 12.974767 6.478754 2.323338 -0.094514 31.904774 0.41244190E+03 0.95626752E+04 8.719981 6.762534 0.099302 2.004399 0.999644 28.820154 82.084426 0.635334 0.415803 -1.065370 0.017005 0.022658 0.004052 0.028618 0.007811 -0.000372 0.028156 -0.010325 -0.020422 -0.029251 -0.001917 0.031167 10.239747 5.792272 -0.293065 1.949500 12.926794 -4.586064 12.000176 0.000000 151 C 12.976078 7.594239 1.530219 -0.150561 33.389508 0.44120246E+03 0.10416148E+05 9.005115 7.003101 0.174945 2.023461 0.999806 29.681339 85.648122 0.622390 0.416845 -1.063396 0.015586 -0.012893 0.021800 0.029739 -0.001780 0.009779 0.011763 0.005503 0.089748 -0.022284 -0.012171 0.034455 10.550669 5.877298 -0.216109 1.628478 14.764076 -4.317862 11.010632 0.000000 152 C 13.388834 8.836529 2.004911 0.084121 36.242684 0.42123115E+03 0.97929796E+04 9.685013 6.921122 -0.117365 1.973390 0.999324 26.623737 75.299328 0.617800 0.426446 -1.061373 0.000959 -0.007212 0.000198 0.007278 -0.010238 -0.014611 -0.006445 -0.018308 0.018263 -0.024985 0.010688 0.014296 12.518871 6.227157 -1.255325 2.138995 18.299852 -6.741271 13.029603 0.000002 153 C 13.850488 8.896507 3.311051 -0.147496 33.342217 0.43132862E+03 0.10110608E+05 8.999959 6.913177 0.196984 2.033621 0.999822 29.322055 83.903297 0.628867 0.415507 -1.065827 -0.002255 -0.023537 0.011529 0.026306 0.009038 0.004637 0.021585 -0.021584 -0.040350 -0.024531 -0.006968 0.031499 10.710050 6.095648 -1.074080 2.276343 13.833195 -5.327845 12.201308 0.000000 154 C 13.862190 7.770742 4.110067 -0.082454 31.276321 0.40622606E+03 0.94088032E+04 8.689472 6.761874 0.027253 1.987255 0.999702 28.733302 82.535463 0.626530 0.422083 -1.058459 -0.003751 0.006967 -0.025670 0.026862 -0.004643 0.000442 0.015577 0.037093 0.058186 -0.033381 0.009290 0.024091 10.189146 5.825439 -0.357727 1.700999 13.963660 -4.572809 10.778339 0.000001 155 C 11.569189 2.709081 8.022592 0.579958 25.612113 0.26367178E+03 0.55161721E+04 7.998984 5.733820 -0.046308 2.032913 0.999639 22.555485 62.855050 0.626147 0.467580 -1.025241 0.000241 0.030528 -0.061801 0.068930 -0.074474 0.008638 -0.017840 0.026893 -0.257489 -0.088595 -0.031586 0.120181 10.006225 6.043070 2.080158 -1.124066 7.199607 -0.329942 16.775999 0.000001 156 C 11.549327 2.715942 9.514482 -0.037243 36.921926 0.44534314E+03 0.10459952E+05 9.630855 7.006324 0.012326 2.009159 0.999316 27.408501 76.982402 0.630891 0.413349 -1.073638 0.002461 -0.001276 0.044791 0.044877 -0.003067 0.004983 -0.003376 -0.010063 0.005021 -0.008485 -0.000123 0.008607 12.192730 6.878816 2.171222 -1.865689 8.462704 -1.111388 21.236671 -0.000001 157 C 11.002507 1.634727 10.198510 -0.088092 32.157674 0.42062864E+03 0.98209170E+04 8.826250 6.870832 0.098101 2.007108 0.999716 28.970028 83.364252 0.623307 0.420873 -1.059942 0.013004 0.014890 0.018126 0.026821 0.001139 0.002596 0.017580 -0.008048 -0.067485 -0.029520 0.007066 0.022455 10.234059 6.570450 2.267843 -1.571942 8.114867 -1.151695 16.016859 -0.000001 158 C 11.014607 1.605604 11.581309 -0.142519 32.215073 0.44528044E+03 0.10583449E+05 8.905610 7.115457 0.000388 1.975780 0.998891 29.915511 87.878482 0.604379 0.426386 -1.052719 0.004590 0.004595 -0.024739 0.025577 -0.000349 -0.006030 -0.012723 -0.018181 -0.036410 -0.019195 -0.001133 0.020328 10.149944 6.673961 1.991844 -0.764052 8.072986 0.180302 15.702886 0.000001 159 C 11.566366 2.635421 12.300718 0.092245 34.750009 0.42347978E+03 0.98960483E+04 9.519415 7.015381 -0.225097 1.945077 0.999147 26.787224 76.909278 0.601417 0.435814 -1.051604 -0.001723 0.002504 -0.003405 0.004565 -0.020876 -0.000773 -0.004767 -0.012248 0.021214 -0.025663 0.006493 0.019170 11.889577 6.878377 1.765879 -1.818561 8.465144 -0.527731 20.325211 -0.000000 160 C 12.164391 3.704641 11.622586 -0.140461 33.341045 0.45815280E+03 0.10941668E+05 9.133952 7.223629 0.050675 1.992973 0.999082 29.744205 86.918873 0.600484 0.427102 -1.054738 -0.001994 -0.003540 -0.022291 0.022658 0.010119 0.006853 0.017420 -0.007958 -0.046893 -0.024211 -0.002464 0.026674 10.707297 7.252712 1.707358 -2.284623 7.959608 -1.704124 16.909570 0.000001 161 C 12.131640 3.749186 10.233891 -0.101225 32.585818 0.44764409E+03 0.10656994E+05 9.022286 7.162331 -0.041594 1.957877 0.999542 29.892254 87.970051 0.598683 0.429741 -1.050335 -0.009733 -0.010713 0.021797 0.026165 -0.006639 0.004773 -0.014330 -0.023058 -0.092668 -0.034505 0.002161 0.032345 10.439618 6.900427 1.644017 -1.448080 7.981148 -0.614439 16.437278 -0.000001 162 C 12.315645 0.352999 3.832918 0.567177 25.668286 0.26154503E+03 0.54651773E+04 8.038184 5.711702 -0.105695 2.009445 0.999549 22.801831 63.677355 0.626661 0.467752 -1.024290 -0.004307 0.036681 0.023649 0.043855 -0.013600 0.042283 -0.023203 0.167472 -0.077320 -0.080764 -0.031235 0.111999 10.218229 4.933146 0.578026 -1.248772 15.735354 4.285127 9.986188 0.000001 163 C 12.346568 -0.964686 3.084025 -0.017194 39.268529 0.44004997E+03 0.10292888E+05 10.040248 6.955435 -0.033931 1.994345 0.999227 27.233529 76.045260 0.635174 0.412266 -1.075583 -0.006966 -0.032921 -0.018494 0.038397 -0.011244 -0.008137 -0.002749 -0.012292 0.009343 -0.017769 0.005978 0.011790 13.169526 6.466880 1.147706 -1.931963 21.121883 6.227172 11.919816 -0.000001 164 C 13.009312 -1.007529 1.863388 -0.101851 34.153548 0.42565726E+03 0.99612048E+04 9.173861 6.900920 0.019937 1.975799 0.999661 29.285275 84.183461 0.623834 0.419551 -1.061488 -0.008398 -0.022682 0.001231 0.024218 0.008918 -0.004726 -0.023310 -0.007841 -0.011901 -0.023056 -0.005016 0.028072 10.870904 6.109594 0.524777 -2.070058 15.954938 4.232353 10.548182 -0.000001 165 C 13.162832 14.917737 1.197050 -0.144241 35.386656 0.44060419E+03 0.10396789E+05 9.398600 7.013884 0.122997 2.007678 0.999751 29.637373 85.453929 0.619949 0.418697 -1.062392 -0.004397 0.017795 0.012524 0.022201 0.000161 -0.019303 -0.006417 0.014544 0.073534 -0.021229 -0.013454 0.034683 11.348268 6.108669 0.975738 -1.606868 18.278749 3.960562 9.657386 0.000000 166 C 12.653606 13.749132 1.751349 0.078658 36.654832 0.41807163E+03 0.97120513E+04 9.755463 6.900798 -0.146686 1.964758 0.999375 26.735505 75.861645 0.617258 0.427149 -1.059756 -0.006591 0.004932 0.005265 0.009772 -0.003391 0.012206 0.010030 -0.032558 0.021474 -0.025802 0.004827 0.020975 12.609317 6.860870 -0.707430 -2.905781 19.618930 5.308372 11.348151 0.000001 167 C 11.990493 13.791975 2.974934 -0.150864 36.346235 0.46089428E+03 0.11042728E+05 9.653658 7.234482 -0.033038 1.957411 0.999180 30.360828 89.369546 0.600325 0.425838 -1.053689 0.007988 0.023226 0.004992 0.025064 0.002718 0.002422 -0.019063 -0.022139 -0.009883 -0.017503 -0.007909 0.025412 11.578879 7.057367 0.689320 -2.680802 16.490326 4.547683 11.188944 -0.000000 168 C 11.836974 -2.133290 3.641272 -0.099249 34.865986 0.42756286E+03 0.10030802E+05 9.332368 6.929259 0.004694 1.971674 0.999614 29.405487 85.016656 0.619963 0.421119 -1.059038 0.012661 -0.006979 -0.019058 0.023921 -0.005698 -0.011460 -0.003579 0.022870 0.068563 -0.025054 -0.002583 0.027637 11.240975 6.313807 1.467861 -1.812944 17.575053 3.961664 9.834065 -0.000000 169 C 13.325504 10.073672 1.191153 0.081048 38.962589 0.42474613E+03 0.99092942E+04 10.140116 6.944190 -0.158544 1.954880 0.999341 27.003607 76.863066 0.616663 0.425741 -1.060306 -0.001579 0.010620 -0.003858 0.011409 0.003615 0.009652 -0.008117 -0.023916 0.006748 -0.019334 0.003460 0.015875 13.323652 6.057405 -2.510812 -0.230304 18.880461 -5.147757 15.033092 -0.000000 170 C 11.621307 1.470251 14.526759 -0.204437 37.336217 0.50565410E+03 0.12389161E+05 9.812212 7.561655 -0.029076 1.951902 0.999444 31.365965 93.121259 0.589531 0.424044 -1.055651 -0.000522 0.011958 0.006071 0.013421 -0.005654 0.002286 0.029456 -0.013819 -0.061618 -0.037208 0.003416 0.033791 11.696385 6.026370 -1.472438 -0.715821 12.215648 -4.009851 16.847138 0.000001 171 C 11.512473 2.650849 13.783763 0.087228 37.144365 0.42328376E+03 0.98877360E+04 9.892029 6.979739 -0.210149 1.943421 0.999282 26.996396 77.429028 0.607523 0.431597 -1.054439 -0.010267 -0.004049 0.010574 0.015285 0.010236 -0.005110 0.000029 0.004261 0.036876 -0.016971 0.002764 0.014207 12.642535 5.836472 -1.389376 -1.409596 11.698588 -0.638478 20.392546 -0.000000 172 C 11.339039 3.860583 14.438307 -0.200757 37.496197 0.51114842E+03 0.12593129E+05 9.955162 7.683785 -0.248065 1.879627 0.998270 31.750903 95.399589 0.573964 0.433146 -1.047104 -0.008044 -0.010161 0.012173 0.017780 0.013096 0.002892 -0.026411 0.018894 -0.085270 -0.044207 0.011765 0.032442 11.776860 5.993925 -1.638187 -1.799560 12.739855 3.638115 16.596800 0.000001 173 C 13.042868 12.486280 1.105649 0.088325 37.889414 0.41873717E+03 0.97401925E+04 9.970424 6.903758 -0.200546 1.943952 0.999148 26.894635 76.588974 0.616906 0.426836 -1.058991 -0.000405 -0.007924 -0.004576 0.009160 0.014491 -0.004551 0.004159 -0.012705 0.003543 -0.018314 0.003007 0.015307 12.982338 5.897218 -2.522720 -1.481983 19.815467 3.653689 13.234330 -0.000002 174 C 13.093064 11.290260 1.804420 -0.207339 37.250216 0.49050903E+03 0.11971312E+05 9.895641 7.517596 -0.246252 1.880326 0.998463 31.677872 95.006205 0.580857 0.432058 -1.046839 -0.003856 0.002102 -0.015955 0.016549 0.002631 0.010172 0.008988 0.068699 0.074745 -0.047943 0.013356 0.034588 11.914123 6.123484 -2.678697 -0.699825 19.594910 -0.906893 10.023976 0.000001 175 O 4.944939 -1.387920 3.266825 -0.548934 29.414967 0.41901895E+03 0.94649588E+04 7.451198 6.217817 0.585650 2.227315 0.998824 27.120576 69.115028 0.783696 0.345998 -1.149485 -0.018619 0.021510 -0.007040 0.029307 -0.006326 0.027742 0.028596 -0.012776 -0.159253 -0.070605 0.028758 0.041847 8.488084 5.200814 -1.687239 -0.557725 13.856647 0.137850 6.406792 -0.000001 176 O 4.163474 -0.344390 4.997535 -0.575439 32.532393 0.48393632E+03 0.11316056E+05 7.984924 6.688301 0.526823 2.193911 0.999021 28.012351 72.296830 0.755657 0.346637 -1.150588 -0.017037 0.017791 -0.022006 0.033031 0.007996 -0.035877 -0.026956 0.046491 0.157847 -0.056247 -0.020060 0.076307 9.050397 5.633215 0.175669 -1.990753 8.934737 -3.575947 12.583239 0.000000 177 O 5.246327 12.806718 4.156062 -0.544284 34.222642 0.48623447E+03 0.11384800E+05 8.292860 6.754472 0.470034 2.199513 0.998451 27.180175 70.226193 0.743461 0.351859 -1.146141 0.010974 -0.014453 -0.017593 0.025274 -0.017471 -0.041960 -0.040021 0.007682 -0.150485 -0.086049 0.039009 0.047039 9.483153 6.837984 -3.639879 -0.144576 15.053278 1.211653 6.558196 -0.000001 178 O 6.127507 11.513033 5.748198 -0.583832 36.502231 0.53222979E+03 0.12766320E+05 8.754354 7.107087 0.257894 2.121224 0.996866 28.095050 73.844843 0.717504 0.355890 -1.141110 -0.032066 -0.018423 -0.022451 0.043263 0.017972 0.011732 -0.007472 0.085605 0.122257 -0.067665 0.021175 0.046490 10.585851 7.119525 0.443752 2.446689 7.827233 4.012428 16.810794 -0.000001 179 O 3.412919 -1.790573 7.385738 -0.485007 27.110646 0.38767675E+03 0.85795824E+04 7.046784 5.988332 0.660325 2.276384 0.998838 26.005242 65.377421 0.797878 0.346875 -1.149942 0.004529 0.018625 0.008570 0.020996 0.031526 0.026615 -0.052952 -0.018058 -0.109139 -0.082875 0.020723 0.062152 7.742256 5.705664 -1.722399 0.941242 7.173690 -2.700836 10.347416 -0.000001 180 O 4.530899 -3.680563 7.412568 -0.627189 38.060096 0.56292856E+03 0.13680560E+05 8.915812 7.240161 0.308768 2.112306 0.998600 29.080673 76.703575 0.721740 0.349200 -1.147605 -0.064493 -0.004781 0.040338 0.076219 0.003890 -0.016838 0.045375 -0.001273 -0.117182 -0.066873 0.021263 0.045610 10.582543 9.053542 -3.294937 -3.391982 9.219290 3.878412 13.474797 -0.000001 181 O 8.490358 9.955489 11.475167 -0.548934 29.414971 0.41901902E+03 0.94649608E+04 7.451200 6.217818 0.585650 2.227315 0.998824 27.120576 69.115032 0.783696 0.345998 -1.149485 0.018619 -0.021510 0.007040 0.029307 -0.006326 0.027742 0.028596 -0.012776 -0.159253 -0.070605 0.028758 0.041847 8.488086 5.200815 -1.687239 -0.557725 13.856649 0.137850 6.406793 -0.000001 182 O 9.271823 8.911959 9.744457 -0.575439 32.532384 0.48393616E+03 0.11316052E+05 7.984922 6.688299 0.526823 2.193911 0.999021 28.012351 72.296823 0.755657 0.346637 -1.150588 0.017037 -0.017791 0.022006 0.033031 0.007996 -0.035877 -0.026956 0.046491 0.157847 -0.056247 -0.020060 0.076307 9.050394 5.633213 0.175669 -1.990753 8.934734 -3.575945 12.583236 0.000000 183 O 8.188970 -4.239149 10.585930 -0.544284 34.222637 0.48623440E+03 0.11384798E+05 8.292859 6.754471 0.470034 2.199513 0.998451 27.180175 70.226189 0.743461 0.351859 -1.146141 -0.010974 0.014453 0.017593 0.025274 -0.017471 -0.041960 -0.040021 0.007682 -0.150485 -0.086049 0.039009 0.047039 9.483151 6.837983 -3.639878 -0.144576 15.053275 1.211653 6.558196 -0.000001 184 O 7.307790 -2.945464 8.993794 -0.583832 36.502228 0.53222979E+03 0.12766320E+05 8.754353 7.107087 0.257894 2.121224 0.996866 28.095050 73.844842 0.717504 0.355890 -1.141110 0.032066 0.018423 0.022451 0.043263 0.017972 0.011732 -0.007472 0.085605 0.122257 -0.067665 0.021175 0.046490 10.585850 7.119523 0.443751 2.446687 7.827234 4.012428 16.810792 -0.000001 185 O 10.022378 10.358142 7.356254 -0.485007 27.110640 0.38767665E+03 0.85795797E+04 7.046783 5.988331 0.660325 2.276384 0.998838 26.005241 65.377415 0.797878 0.346875 -1.149942 -0.004529 -0.018625 -0.008570 0.020996 0.031526 0.026615 -0.052952 -0.018058 -0.109139 -0.082875 0.020723 0.062152 7.742255 5.705663 -1.722399 0.941242 7.173689 -2.700836 10.347413 -0.000001 186 O 8.904398 12.248132 7.329424 -0.627189 38.060090 0.56292846E+03 0.13680557E+05 8.915811 7.240160 0.308768 2.112306 0.998600 29.080673 76.703573 0.721741 0.349200 -1.147605 0.064493 0.004781 -0.040338 0.076219 0.003890 -0.016838 0.045375 -0.001273 -0.117182 -0.066873 0.021263 0.045610 10.582542 9.053543 -3.294937 -3.391982 9.219288 3.878410 13.474794 -0.000001 187 O 0.851858 7.179619 11.475167 -0.548937 29.414151 0.41900544E+03 0.94645706E+04 7.451019 6.217684 0.585606 2.227304 0.998824 27.120459 69.114270 0.783711 0.345994 -1.149489 0.018618 0.021506 0.007040 0.029303 0.006323 0.027753 -0.028596 -0.012765 -0.159284 -0.070618 0.028770 0.041848 8.487849 5.200710 1.687200 -0.557727 13.856203 -0.137942 6.406636 -0.000002 188 O 1.633323 8.223132 9.744457 -0.575446 32.533908 0.48396412E+03 0.11316888E+05 7.985232 6.688544 0.526800 2.193899 0.999021 28.012818 72.299006 0.755633 0.346642 -1.150582 0.017026 0.017800 0.022012 0.033035 -0.008004 -0.035879 0.026971 0.046488 0.157782 -0.056244 -0.020057 0.076301 9.050763 5.633415 -0.175682 -1.990820 8.935182 3.576169 12.583693 0.000000 189 O 0.550470 4.239249 10.585930 -0.544279 34.221619 0.48621700E+03 0.11384277E+05 8.292668 6.754327 0.470035 2.199519 0.998451 27.179784 70.224589 0.743473 0.351856 -1.146144 -0.010963 -0.014448 0.017593 0.025267 0.017478 -0.041967 0.039998 0.007647 -0.150479 -0.086040 0.039010 0.047030 9.482922 6.837825 3.639765 -0.144600 15.052878 -1.211672 6.558065 -0.000001 190 O -0.330710 2.945549 8.993794 -0.583820 36.500554 0.53219991E+03 0.12765404E+05 8.754020 7.106836 0.257977 2.121251 0.996868 28.094596 73.842681 0.717525 0.355884 -1.141116 0.032065 -0.018422 0.022458 0.043265 -0.017977 0.011733 0.007476 0.085580 0.122258 -0.067656 0.021168 0.046488 10.585413 7.119262 -0.443720 2.446586 7.826867 -4.012168 16.810108 -0.000001 191 O 2.383878 6.776927 7.356254 -0.484906 27.108468 0.38763878E+03 0.85785291E+04 7.046403 5.988039 0.660427 2.276440 0.998839 26.004089 65.373638 0.797898 0.346875 -1.149943 -0.004582 0.018556 -0.008631 0.020971 -0.031499 0.026644 0.052997 -0.018075 -0.109042 -0.082903 0.020747 0.062156 7.741804 5.705366 1.722277 0.941184 7.173327 2.700680 10.346721 -0.000001 192 O 1.265898 4.886936 7.329424 -0.627148 38.058278 0.56289406E+03 0.13679514E+05 8.915524 7.239936 0.308598 2.112263 0.998600 29.080027 76.701326 0.721752 0.349200 -1.147605 0.064501 -0.004763 -0.040352 0.076232 -0.003882 -0.016846 -0.045392 -0.001272 -0.117182 -0.066889 0.021260 0.045629 10.582179 9.053260 3.294807 -3.391896 9.218969 -3.878291 13.474307 -0.000001 193 O 12.583439 1.387950 3.266825 -0.548937 29.414154 0.41900548E+03 0.94645719E+04 7.451020 6.217684 0.585606 2.227304 0.998824 27.120460 69.114274 0.783711 0.345994 -1.149489 -0.018618 -0.021506 -0.007040 0.029303 0.006323 0.027753 -0.028596 -0.012765 -0.159284 -0.070618 0.028770 0.041848 8.487850 5.200710 1.687200 -0.557727 13.856204 -0.137942 6.406636 -0.000002 194 O 11.801974 0.344437 4.997535 -0.575446 32.533901 0.48396400E+03 0.11316884E+05 7.985231 6.688544 0.526801 2.193899 0.999021 28.012815 72.298996 0.755633 0.346642 -1.150582 -0.017026 -0.017800 -0.022013 0.033035 -0.008004 -0.035879 0.026971 0.046488 0.157782 -0.056244 -0.020057 0.076301 9.050762 5.633414 -0.175682 -1.990819 8.935181 3.576168 12.583691 0.000000 195 O 12.884827 4.328320 4.156062 -0.544279 34.221611 0.48621689E+03 0.11384274E+05 8.292666 6.754326 0.470035 2.199519 0.998451 27.179784 70.224582 0.743474 0.351856 -1.146144 0.010963 0.014448 -0.017593 0.025267 0.017478 -0.041967 0.039998 0.007647 -0.150479 -0.086040 0.039010 0.047030 9.482920 6.837823 3.639763 -0.144599 15.052873 -1.211670 6.558063 -0.000001 196 O 13.766007 5.622020 5.748198 -0.583820 36.500557 0.53219987E+03 0.12765402E+05 8.754021 7.106835 0.257976 2.121251 0.996868 28.094597 73.842683 0.717526 0.355884 -1.141116 -0.032065 0.018422 -0.022458 0.043265 -0.017977 0.011733 0.007476 0.085580 0.122258 -0.067656 0.021168 0.046488 10.585414 7.119261 -0.443720 2.446586 7.826868 -4.012170 16.810112 -0.000001 197 O 11.051419 1.790642 7.385738 -0.484906 27.108467 0.38763875E+03 0.85785284E+04 7.046403 5.988039 0.660427 2.276440 0.998839 26.004089 65.373637 0.797898 0.346875 -1.149943 0.004582 -0.018556 0.008631 0.020971 -0.031499 0.026644 0.052997 -0.018075 -0.109042 -0.082903 0.020747 0.062156 7.741804 5.705366 1.722277 0.941184 7.173327 2.700680 10.346720 -0.000001 198 O 12.169399 3.680633 7.412568 -0.627148 38.058279 0.56289401E+03 0.13679513E+05 8.915524 7.239935 0.308598 2.112263 0.998600 29.080028 76.701327 0.721752 0.349200 -1.147605 -0.064501 0.004763 0.040352 0.076232 -0.003882 -0.016846 -0.045392 -0.001272 -0.117182 -0.066889 0.021260 0.045629 10.582178 9.053260 3.294808 -3.391897 9.218969 -3.878291 13.474306 -0.000001 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000005 The total net atomic charge of the unit cell is 0.000004 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= 241628 The rms potential error without charges in kcal/mol is= 5.14106 The rms potential error with partial charges in kcal/mol is= 0.75358 The RRMSE value at monopole order= 0.14658 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.75545 The RRMSE value at monopole order with cloud penetration is= 0.14694 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.46124 The RRMSE value at dipole order= 0.08972 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.45378 The RRMSE value at dipole order with cloud penetration= 0.08827 ****************************************************** 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.