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8.576964 -0.500960 C 7.672049 14.948762 5.539014 -0.522269 C 9.125806 14.589573 0.533658 -0.145004 C 8.624511 9.856941 12.786381 -0.100241 C 8.712516 9.069974 14.947711 -0.136466 C 8.301453 11.169154 16.431334 0.487818 C 8.757075 8.761324 13.580854 -0.118760 C 0.683990 8.629562 28.052409 -0.197676 C 0.046788 10.716107 26.493681 0.074709 C 1.735596 9.245056 17.508918 0.489136 C 1.568498 9.936360 16.215993 -0.124606 C 0.658368 8.586242 26.645358 0.083077 C 0.023394 10.864114 27.876674 -0.190639 C 1.664301 11.235938 15.876845 -0.132690 C 2.407332 10.429117 9.419552 -0.496649 C 1.510570 11.454340 14.469795 -0.128291 C 9.554692 11.694401 19.513584 -0.494409 C 1.195311 9.528437 20.847583 -0.503937 S 6.860173 0.065159 14.483877 0.181540 S 1.961625 14.243379 0.389022 0.171082 S 2.855156 15.797458 15.618671 0.152033 S 9.849677 17.984541 29.152877 0.181515 S 3.608325 3.806321 15.058022 0.170969 S 2.714794 2.252242 0.949671 0.152047 S 4.279727 9.090009 0.185123 0.181536 S 9.178275 5.218529 14.279978 0.170893 S 8.284744 6.772608 28.388329 0.152072 S 1.290223 8.959691 14.854123 0.181516 S 7.531575 12.831171 28.948978 0.170950 S 8.425106 11.277092 13.719329 0.152338 N 5.741504 16.940365 25.705956 -0.235018 N 7.628604 17.093066 10.755898 -0.393286 N 3.364250 12.867992 3.808072 -0.371064 N 6.747437 16.060623 17.836624 -0.392432 N 2.797229 0.083751 18.789815 -0.359901 N 2.891918 16.479376 11.730799 -0.372198 N 2.671348 13.059499 26.029847 -0.397033 N 5.930883 17.470305 3.469512 -0.263965 N 10.968346 1.109335 11.036956 -0.234895 N 9.081246 0.956634 25.424898 -0.393497 N 2.205700 5.181708 18.477072 -0.371932 N 9.962413 1.989077 3.167624 -0.392403 N 2.772721 17.965949 4.120815 -0.359732 N 2.678032 1.570324 26.399799 -0.372421 N 2.898602 4.990201 11.360847 -0.397151 N 10.778967 0.579395 18.138512 -0.264065 N 5.398396 7.915515 18.301044 -0.234973 N 3.511296 8.068216 3.913102 -0.392867 N 7.775650 3.843142 10.860928 -0.371903 N 4.392463 7.035773 26.170376 -0.392382 N 8.342671 9.108601 25.217185 -0.359836 N 8.247982 7.454526 2.938201 -0.371901 N 8.468552 4.034649 17.977153 -0.397189 N 5.209017 8.445455 11.199488 -0.264061 N 0.171554 10.134185 3.632044 -0.234244 N 2.058654 9.981484 18.582102 -0.393476 N 8.934200 14.206558 25.529928 -0.371875 N 1.177487 11.013927 11.501376 -0.391787 N 8.367179 8.941099 10.548185 -0.358092 N 8.461868 10.595174 17.607201 -0.372238 N 8.241298 14.015051 3.308153 -0.396639 N 0.360933 9.604245 25.868488 -0.264112 O 4.262126 13.922456 23.289678 -0.635778 O 5.676893 15.238459 21.176462 -0.596762 O 1.129586 15.820562 8.732162 -0.552203 O 9.326324 15.882292 8.922273 -0.635815 O 1.640907 13.765965 6.725443 -0.567063 O 4.489380 17.861622 21.155925 -0.483682 O 1.383576 11.878688 5.556911 -0.555560 O 9.976894 17.914688 8.309402 -0.532356 O 3.013343 16.376132 21.811923 -0.482869 O 3.423291 15.473647 24.570868 -0.515788 O 1.843653 17.788882 9.476174 -0.546862 O 2.921996 15.933192 18.508464 -0.483773 O 6.481194 0.155949 17.330543 -0.500822 O 2.393965 14.701481 13.022551 -0.513171 O 2.398420 14.836312 3.275881 -0.519535 O 6.005520 13.985088 19.412368 -0.567139 O 7.154044 1.005729 11.761017 -0.492905 O 1.085026 14.396441 26.930524 -0.495217 O 1.307824 4.127244 8.620678 -0.635500 O 11.032957 2.811241 6.507462 -0.596621 O 4.440364 2.229138 23.401162 -0.551837 O 7.383526 2.167408 23.591273 -0.635741 O 3.929043 4.283735 21.394443 -0.566550 O 1.080570 0.188078 6.486925 -0.483619 O 4.186374 6.171012 20.225911 -0.553273 O 6.732956 0.135012 22.978402 -0.532631 O 2.556607 1.673568 7.142923 -0.482703 O 2.146659 2.576053 9.901868 -0.515574 O 3.726297 0.260818 24.145174 -0.546483 O 2.647954 2.116508 3.839464 -0.483621 O 10.228656 17.893751 2.661543 -0.500713 O 3.175985 3.348219 27.691551 -0.513168 O 3.171530 3.213388 17.944881 -0.519799 O 10.704330 4.064612 4.743368 -0.566725 O 9.555806 17.043971 26.430017 -0.492976 O 4.484924 3.653259 12.261524 -0.495208 O 6.877774 4.897606 20.717322 -0.635810 O 5.463007 6.213609 22.830538 -0.596726 O 10.010314 6.795712 5.936838 -0.552101 O 1.813576 6.857442 5.746727 -0.636467 O 9.498993 4.741115 7.943557 -0.566467 O 6.650520 8.836772 22.851075 -0.483815 O 9.756324 2.853838 9.112089 -0.553331 O 1.163006 8.889838 6.359598 -0.534212 O 8.126557 7.351282 22.195077 -0.482637 O 7.716609 6.448797 19.436132 -0.515965 O 9.296247 8.764032 5.192826 -0.547404 O 8.217904 6.908342 25.498536 -0.483728 O 4.658706 9.180799 26.676457 -0.500849 O 8.745935 5.676631 1.646449 -0.513199 O 8.741480 5.811462 11.393119 -0.519785 O 5.134380 4.960238 24.594632 -0.567026 O 3.985856 10.030579 2.907983 -0.492818 O 10.054874 5.371591 17.076476 -0.495245 O 9.832076 13.152094 6.048322 -0.636492 O 0.106943 11.836091 8.161538 -0.596126 O 6.699536 11.253988 20.605838 -0.551557 O 3.756374 11.192258 20.415727 -0.635873 O 7.210857 13.308585 22.612557 -0.566660 O 10.059330 9.212928 8.182075 -0.490743 O 6.953526 15.195862 23.781089 -0.553349 O 4.406944 9.159862 21.028598 -0.532718 O 8.583293 10.698418 7.526077 -0.481437 O 8.993241 11.600903 4.767132 -0.518625 O 7.413603 9.285668 19.861826 -0.546433 O 8.491946 11.141358 10.829536 -0.483211 O 0.911244 8.868901 12.007457 -0.500877 O 7.963915 12.373069 16.315449 -0.512870 O 7.968370 12.238238 26.062119 -0.519798 O 0.435570 13.089462 9.925632 -0.567957 O 1.584094 8.019121 17.576983 -0.492986 O 6.654976 12.678109 2.407476 -0.495080 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 Eu 5.094053 16.559336 23.177020 1.274025 178.750500 0.45169483E+04 0.17464897E+06 24.734256 21.379234 0.486925 1.816803 0.999822 97.988757 271.287891 0.417460 0.379464 -1.189039 -0.001729 -0.001230 -0.036801 0.036862 0.000945 -0.063467 -0.024467 0.003868 -0.217359 -0.104789 0.034151 0.070638 28.281940 25.273244 -2.220950 3.626234 27.730482 0.450157 31.842092 0.039603 2 Eu 5.219155 12.763845 21.458400 1.404104 223.833436 0.56325001E+04 0.22638808E+06 25.538883 21.420223 0.397065 1.834115 0.998623 91.752108 245.463837 0.498857 0.305477 -1.276077 0.022642 -0.012617 0.000210 0.025921 -0.087196 0.094683 -0.122740 0.078831 0.049954 -0.143576 -0.062130 0.205706 29.745359 23.579715 1.605934 -2.420826 38.904610 10.474288 26.751750 0.008140 3 Eu 0.475897 1.490364 8.508020 1.273900 178.766343 0.45173969E+04 0.17467117E+06 24.735820 21.380397 0.487322 1.816870 0.999822 97.996031 271.314416 0.417444 0.379467 -1.189032 0.001703 0.001044 -0.036808 0.036862 0.000893 0.063440 0.024429 0.003945 -0.217413 -0.104773 0.034164 0.070609 28.283905 25.274403 -2.222012 -3.625865 27.733620 -0.450917 31.843692 -0.039958 4 Eu 0.350795 5.285855 6.789400 1.404202 223.854030 0.56329617E+04 0.22641129E+06 25.540683 21.421366 0.396860 1.834090 0.998620 91.751143 245.463851 0.498834 0.305484 -1.276069 -0.022644 0.013209 0.000297 0.026216 -0.087245 -0.094730 0.123050 0.078030 0.050117 -0.143604 -0.062331 0.205935 29.748201 23.580196 1.607030 2.420125 38.912108 -10.475525 26.752297 -0.008337 5 Eu 6.045847 7.534486 20.829980 1.273809 178.762082 0.45172873E+04 0.17466705E+06 24.736044 21.380602 0.487600 1.816916 0.999822 98.000793 271.333638 0.417426 0.379484 -1.189012 0.001595 -0.001157 0.036751 0.036804 -0.000865 -0.063584 0.024415 0.003762 -0.217467 -0.104903 0.034260 0.070643 28.284170 25.275071 2.220739 3.626496 27.732705 -0.449392 31.844734 0.039774 6 Eu 5.920745 3.738995 22.548600 1.403993 223.850469 0.56329663E+04 0.22641180E+06 25.540183 21.421141 0.397158 1.834114 0.998624 91.755594 245.476913 0.498844 0.305478 -1.276074 -0.022642 -0.012692 -0.000190 0.025957 0.087220 0.094688 0.122792 0.078913 0.050187 -0.143656 -0.062112 0.205768 29.747073 23.580974 -1.605091 -2.421711 38.906637 -10.475429 26.753609 0.008062 7 Eu 10.664003 10.515214 6.160980 1.275857 178.584600 0.45111741E+04 0.17436625E+06 24.718278 21.364833 0.485958 1.816964 0.999818 97.922670 271.039923 0.417631 0.379438 -1.189084 -0.001900 0.000625 0.037286 0.037340 -0.000893 0.062858 -0.024807 0.004451 -0.218531 -0.104699 0.034170 0.070529 28.264888 25.259088 2.220025 -3.623714 27.715706 0.438269 31.819871 0.021269 8 Eu 10.789105 14.310705 7.879600 1.404222 223.849870 0.56326749E+04 0.22639748E+06 25.540382 21.420786 0.396910 1.834076 0.998623 91.751801 245.466478 0.498841 0.305483 -1.276066 0.022887 0.012570 -0.000171 0.026112 0.086988 -0.094793 -0.122661 0.078760 0.049471 -0.143430 -0.062166 0.205596 29.747950 23.581373 -1.603446 2.423625 38.905462 10.477736 26.757014 0.002489 9 H 7.662023 16.235705 10.828656 0.298127 0.603471 0.40582641E+01 0.34116494E+02 1.258598 1.245045 -1.090671 2.469901 0.999860 2.610181 7.091306 0.508652 1.432389 -0.679272 0.000341 -0.036225 0.001966 0.036280 0.001485 -0.002487 -0.005767 -0.038697 0.017614 -0.022527 0.003437 0.019090 1.253329 1.091437 0.000209 -0.033353 1.449545 -0.035381 1.219006 -0.000213 10 H 3.673939 12.116764 3.526428 0.309648 0.505497 0.31728132E+01 0.25643079E+02 1.210213 1.171989 -1.208860 2.415220 0.999458 2.795790 8.006679 0.466817 1.623431 -0.643910 0.012801 -0.023690 -0.008755 0.028315 -0.010473 0.000462 0.001127 -0.004154 0.043933 -0.018035 0.003326 0.014709 1.226899 1.060700 -0.129565 -0.033048 1.435816 0.103888 1.184181 0.000615 11 H 6.857722 15.257411 17.547058 0.301296 0.575451 0.37953820E+01 0.31698318E+02 1.264311 1.238895 -1.125463 2.451950 0.999881 2.718313 7.610212 0.483594 1.516509 -0.662858 0.004127 -0.031363 -0.012479 0.034006 -0.006774 -0.000028 0.008941 -0.026089 0.035767 -0.020805 0.001573 0.019232 1.266598 1.035990 -0.052092 -0.039079 1.499943 0.069498 1.263860 0.000084 12 H 2.996633 0.864581 18.491741 0.312647 0.507252 0.32270671E+01 0.26018629E+02 1.186702 1.162673 -1.126187 2.464677 0.999917 2.643377 7.398468 0.483605 1.570864 -0.653566 0.010781 0.028810 -0.009037 0.032061 0.006052 -0.010217 0.002195 -0.015609 0.031919 -0.018855 0.004427 0.014429 1.193514 1.014171 0.032419 -0.050463 1.400133 -0.120160 1.166238 0.001632 13 H 3.136996 17.302442 11.697061 0.307250 0.539492 0.35226723E+01 0.28613935E+02 1.175301 1.166587 -1.071628 2.492801 0.999852 2.476728 6.636495 0.520484 1.448750 -0.676648 0.012075 0.036760 -0.002844 0.038797 0.013326 -0.003914 0.004963 -0.033576 0.010805 -0.024264 0.003914 0.020350 1.170562 1.046705 0.092691 0.003254 1.334750 0.029761 1.130232 -0.000239 14 H 5.740390 15.158138 28.393316 0.110336 0.991583 0.75346979E+01 0.74444771E+02 1.758825 1.696158 -1.484783 2.169747 0.991791 4.042201 12.173733 0.432952 1.431851 -0.674717 -0.004032 -0.023617 0.018218 0.030098 0.006718 -0.000318 0.001001 -0.011461 0.029155 -0.013711 0.003869 0.009842 1.765212 1.439056 0.002431 -0.028367 1.991328 -0.365614 1.865253 0.000159 15 H 3.287384 12.481368 26.192966 0.307743 0.525309 0.33775111E+01 0.27063513E+02 1.140420 1.130936 -1.021331 2.518404 0.999898 2.417184 6.368020 0.538280 1.420071 -0.682154 0.027373 -0.026973 0.002332 0.038500 -0.019723 -0.000059 0.000851 0.003342 0.021595 -0.023404 0.007167 0.016237 1.136569 1.159390 -0.159341 0.070331 1.134348 -0.049080 1.115968 0.000139 16 H 5.910831 0.828481 25.796903 0.084983 1.095457 0.80576616E+01 0.79778593E+02 1.797273 1.690202 -1.015358 2.389875 0.996563 3.708074 10.655630 0.465296 1.329534 -0.697507 0.000167 0.039754 -0.023192 0.046025 -0.000154 0.001295 -0.000259 -0.038036 0.008505 -0.020508 0.002902 0.017606 1.848328 1.520727 -0.037484 -0.006624 2.031964 -0.568162 1.992294 0.000050 17 H 1.481607 13.856755 24.652721 0.080092 1.092865 0.85428658E+01 0.85862744E+02 1.789194 1.728668 -1.212002 2.285346 0.993844 3.953568 11.461834 0.464573 1.311750 -0.699577 -0.038199 0.016756 -0.002594 0.041793 -0.002782 0.007751 -0.004878 -0.000866 -0.002022 -0.008480 -0.001942 0.010422 1.830429 2.268413 -0.297689 0.038147 1.648514 -0.021024 1.574359 0.000027 18 H 2.197902 14.928907 10.720105 0.093011 1.141360 0.91815706E+01 0.93919985E+02 1.834065 1.786493 -1.386427 2.201069 0.992228 4.016755 11.731255 0.459355 1.303518 -0.700983 -0.017941 -0.041376 0.006757 0.045602 0.001918 -0.005621 0.010497 0.002755 -0.023108 -0.015869 0.006210 0.009659 1.854890 1.698579 0.353826 -0.032749 2.166641 -0.061590 1.699451 -0.000533 19 H 1.521710 17.362006 20.131736 0.085513 1.362693 0.11715761E+02 0.12633905E+03 2.024533 1.991643 -1.294204 2.257766 0.992846 3.949597 11.532685 0.447358 1.269650 -0.711382 -0.044840 -0.027767 0.003491 0.052856 0.018312 -0.008780 0.003540 0.007156 0.000853 -0.021978 0.002297 0.019681 2.033495 2.361533 0.328306 0.038352 1.903163 -0.002740 1.835789 0.004794 20 H 6.073473 1.082982 28.050062 0.128026 1.007784 0.77172604E+01 0.75220876E+02 1.677704 1.642646 -0.857963 2.482959 0.999098 3.394588 9.525901 0.479264 1.311162 -0.703355 0.003044 0.034003 0.012508 0.036358 0.002671 0.001583 -0.000309 -0.032775 0.012310 -0.018768 0.004213 0.014555 1.658697 1.409955 0.057771 0.055240 1.900868 0.241345 1.665267 0.000087 21 H 8.066402 0.620910 9.616996 0.078594 1.078181 0.85769894E+01 0.87125980E+02 1.829802 1.776631 -1.493366 2.150245 0.991661 4.263338 12.822432 0.436921 1.380037 -0.684142 0.005741 0.043923 0.002736 0.044381 0.006736 0.005646 -0.005290 -0.015040 0.004069 -0.014160 0.003503 0.010656 1.864974 1.593728 0.105388 0.013952 2.337894 0.129650 1.663298 -0.000166 22 H 5.657955 15.033595 26.102019 0.087763 1.065885 0.78972734E+01 0.77919573E+02 1.772798 1.681276 -1.020082 2.390220 0.996536 3.710182 10.697366 0.462492 1.342247 -0.694768 -0.002297 -0.042351 -0.019145 0.046533 0.001923 0.001212 0.003563 -0.036426 0.005043 -0.019206 0.000940 0.018266 1.799850 1.492352 0.063365 0.042698 2.153037 0.421395 1.754161 0.000171 23 H 3.601530 14.105841 5.351251 0.075402 1.092911 0.84346411E+01 0.84681884E+02 1.804228 1.729375 -1.213995 2.282291 0.994126 3.992798 11.648398 0.458817 1.329667 -0.695753 0.017668 0.041531 0.009218 0.046065 0.006400 0.002026 0.004666 -0.007627 0.007112 -0.008667 -0.001076 0.009742 1.849340 1.555807 0.221290 0.004610 2.425214 0.097982 1.566999 0.001231 24 H 6.020002 17.053357 19.415888 0.096452 1.102775 0.89542318E+01 0.91428608E+02 1.830777 1.796951 -1.222454 2.281708 0.993341 3.986002 11.801394 0.443585 1.352308 -0.691485 -0.022932 0.039387 0.010337 0.046735 -0.003950 0.005638 0.009056 0.007750 0.005210 -0.013674 0.004298 0.009376 1.846693 1.985694 -0.395024 -0.122853 1.858203 0.026629 1.696180 0.000431 25 H 4.389121 11.965146 1.299673 0.135492 0.977857 0.70236880E+01 0.68237377E+02 1.755372 1.649293 -1.420002 2.218969 0.992923 3.840499 11.496438 0.434097 1.452318 -0.671842 0.027563 -0.021044 0.018533 0.039320 -0.014195 0.003228 0.001336 0.006655 0.032916 -0.020364 0.008171 0.012193 1.796104 1.887192 -0.301475 0.272113 1.799755 -0.243346 1.701366 0.000088 26 H 5.288111 12.553566 5.647565 0.168324 0.820012 0.55002178E+01 0.49222089E+02 1.464793 1.380174 -0.702079 2.569740 0.999992 3.059479 8.206533 0.526995 1.298731 -0.705559 0.013798 0.003776 -0.007235 0.016031 0.000775 -0.000227 -0.003432 0.004178 -0.013983 -0.006429 0.001771 0.004659 1.515108 2.028489 0.244674 -0.247276 1.267212 -0.105703 1.249624 0.001124 27 H 4.352359 12.477758 6.903231 0.169536 0.894451 0.63822880E+01 0.58376386E+02 1.463669 1.419857 -0.762690 2.534670 0.999972 2.957994 7.628998 0.565329 1.184525 -0.733155 -0.002929 0.003395 0.012035 0.012843 -0.003392 -0.000057 0.000094 0.000299 0.007652 -0.004670 0.002095 0.002576 1.479999 1.246576 -0.007835 -0.050428 1.258379 0.080958 1.935043 0.000169 28 H 4.249872 11.387556 5.779586 0.166030 0.841031 0.59345900E+01 0.54821788E+02 1.558638 1.487268 -1.002888 2.427074 0.997382 3.365542 9.561383 0.474378 1.397716 -0.683957 -0.006104 -0.014408 -0.006250 0.016850 0.001578 0.002681 -0.000604 -0.006437 -0.011961 -0.005787 0.000209 0.005578 1.591518 1.305637 0.162019 0.044750 2.182681 0.079497 1.286237 0.000183 29 H 2.616763 1.850094 20.753701 0.166222 0.923146 0.69774430E+01 0.67520081E+02 1.690871 1.639280 -1.348774 2.263311 0.993528 3.653333 10.832474 0.438257 1.444246 -0.674335 0.016882 0.006376 -0.001590 0.018116 -0.000247 -0.004345 0.002935 0.004347 -0.006010 -0.005814 -0.000246 0.006060 1.711387 1.814536 0.373990 0.042888 1.875702 -0.006453 1.443924 0.000389 30 H 1.152980 1.613643 20.246154 0.155589 0.939896 0.67489123E+01 0.64487114E+02 1.681810 1.588266 -1.148236 2.343073 0.996440 3.603508 10.468105 0.457323 1.401665 -0.682349 -0.007068 0.004783 -0.009104 0.012479 -0.009578 0.000676 -0.002863 -0.004710 0.006056 -0.010993 0.001212 0.009781 1.738024 1.956392 -0.301217 0.422840 1.537318 -0.204702 1.720361 0.001813 31 H 1.582980 1.106447 21.666113 0.170519 0.805388 0.56064723E+01 0.50824572E+02 1.492973 1.429951 -0.770724 2.539460 0.999628 3.195376 8.858398 0.494013 1.367678 -0.690861 -0.000759 -0.005011 0.014340 0.015209 0.000981 -0.001165 -0.001160 -0.007481 0.007147 -0.005196 0.001307 0.003889 1.531928 1.339274 0.015885 -0.236293 1.221605 -0.087387 2.034904 -0.000241 32 H 1.354612 11.633032 24.145174 0.162340 0.890188 0.62885752E+01 0.58874417E+02 1.606002 1.521084 -1.131625 2.357355 0.996918 3.463628 9.870517 0.474184 1.379702 -0.686935 -0.011523 -0.003302 0.007940 0.014378 -0.001033 -0.003379 0.003844 0.012060 0.001386 -0.008023 0.000073 0.007950 1.649819 1.901837 0.418683 -0.275002 1.573631 -0.155323 1.473987 0.000751 33 H 1.921633 12.383899 22.892441 0.166884 0.978261 0.72334763E+01 0.68953034E+02 1.618265 1.563380 -0.876603 2.482765 0.999435 3.172625 8.631378 0.507092 1.267106 -0.713716 -0.003754 0.008473 -0.011840 0.015036 -0.001426 0.003718 -0.003107 -0.011849 0.005594 -0.008233 0.000596 0.007636 1.639994 1.389242 0.005191 0.115632 1.410566 -0.078132 2.120173 -0.000177 34 H 2.888576 11.575273 23.822456 0.166506 0.884238 0.64903633E+01 0.60376342E+02 1.526233 1.491901 -0.707775 2.561977 0.999994 3.125088 8.472502 0.511995 1.286004 -0.709181 0.013056 -0.007682 0.006545 0.016502 -0.006420 0.005493 0.005065 0.003053 -0.005037 -0.011402 0.003707 0.007695 1.535819 1.738208 -0.310656 -0.040085 1.557157 0.065247 1.312094 -0.000138 35 H 4.017048 11.929047 28.217288 0.128950 1.001149 0.74050313E+01 0.72266912E+02 1.736007 1.659714 -1.140129 2.353986 0.995171 3.621862 10.561410 0.449907 1.394989 -0.684581 0.021154 -0.023869 -0.024037 0.039937 -0.011218 -0.001644 0.004884 0.007446 0.039451 -0.018684 0.003498 0.015186 1.745624 1.656949 -0.263807 -0.200169 1.778755 0.279593 1.801168 0.000016 36 H 3.238369 0.590225 13.718449 0.131607 0.911188 0.66443582E+01 0.62708066E+02 1.595975 1.546498 -0.821696 2.506367 0.999092 3.359803 9.435660 0.480794 1.349823 -0.694660 0.004784 0.028501 -0.029702 0.041441 0.002628 -0.000692 -0.006010 -0.019918 0.044793 -0.017766 0.000328 0.017437 1.593388 1.352707 0.050388 -0.041395 1.685715 -0.297193 1.741742 -0.000141 37 H 3.295182 1.126301 16.086025 0.117961 1.039889 0.77308462E+01 0.76740630E+02 1.807224 1.712191 -1.452233 2.187875 0.992559 3.980501 11.947444 0.433910 1.422029 -0.677064 0.006796 0.028936 0.014913 0.033255 0.003594 0.002934 0.002994 -0.008510 0.029435 -0.010631 -0.000687 0.011318 1.832782 1.484112 0.066460 0.013636 2.359849 0.310392 1.654384 -0.000156 38 H 6.486764 1.147961 0.792126 0.124692 1.077771 0.83114203E+01 0.82799604E+02 1.774071 1.720157 -1.022127 2.403829 0.997128 3.540019 10.151200 0.460533 1.335034 -0.697897 0.008838 0.030302 -0.018514 0.036593 0.007944 -0.000729 -0.001981 -0.029922 0.014988 -0.019439 0.004553 0.014887 1.759552 1.532035 0.225177 -0.092720 1.916114 -0.297829 1.830508 0.000001 39 H 5.396168 15.618405 3.362135 0.077897 0.991276 0.70183992E+01 0.67267323E+02 1.687276 1.581398 -0.915641 2.428298 0.997433 3.702390 10.537475 0.478261 1.336212 -0.695221 -0.010710 -0.035727 0.021933 0.043269 0.007131 -0.001442 -0.006717 -0.028428 0.016700 -0.018687 0.001505 0.017181 1.730592 1.473274 0.150105 -0.131595 1.950945 -0.440134 1.767557 0.000056 40 H 6.437748 1.247234 3.103960 0.081703 1.187423 0.86714307E+01 0.86178973E+02 1.804002 1.685752 -0.767140 2.501065 0.999621 3.470516 9.526668 0.501496 1.228933 -0.721819 0.007795 0.038557 0.019316 0.043823 0.006600 -0.003542 0.002009 -0.028756 0.015787 -0.019075 0.005695 0.013380 1.844013 1.595134 0.303290 0.190034 2.173055 0.469770 1.763851 -0.000027 41 H 5.351608 15.398199 1.082572 0.120112 0.880361 0.65257457E+01 0.62187674E+02 1.631982 1.585471 -1.282783 2.277648 0.993268 3.787275 11.194562 0.444953 1.444501 -0.673368 -0.009615 -0.029291 -0.014011 0.033863 0.006345 0.001430 0.001405 -0.019892 0.019820 -0.015145 0.005597 0.009548 1.631794 1.395921 0.172928 0.042843 1.897025 0.218571 1.602435 0.000100 42 H 7.383526 15.156333 12.847110 0.131646 0.977930 0.69512959E+01 0.65447444E+02 1.593827 1.520377 -0.732974 2.544830 0.999819 3.154173 8.460533 0.521688 1.247005 -0.718325 0.006740 -0.031264 -0.023110 0.039457 -0.002611 -0.004804 0.003120 -0.023877 0.029150 -0.017809 0.005020 0.012789 1.598856 1.301050 -0.075153 -0.080596 1.793632 0.315064 1.701885 0.000178 43 H 8.597775 15.928860 19.767944 0.151630 0.924617 0.69378408E+01 0.65061056E+02 1.519224 1.500173 -0.719073 2.543600 0.999992 3.112101 8.236383 0.536933 1.216437 -0.725329 0.004136 -0.011662 -0.003969 0.012995 -0.000617 0.000551 0.004225 -0.002567 -0.014897 -0.006745 0.001237 0.005507 1.512975 1.572346 -0.291896 -0.054508 1.641331 0.027799 1.325249 -0.000117 44 H 8.319277 17.452255 19.527373 0.161918 0.928933 0.68162118E+01 0.65049681E+02 1.647359 1.581565 -1.115987 2.367930 0.996715 3.485526 9.996985 0.466382 1.376139 -0.688044 -0.001270 0.012178 -0.007184 0.014196 -0.002323 0.000052 -0.002146 -0.003484 -0.001648 -0.003065 -0.000961 0.004026 1.678051 1.541884 0.360128 -0.173598 1.909139 -0.342693 1.583130 0.000041 45 H 7.860313 16.773586 20.862252 0.167462 0.845145 0.59669630E+01 0.55196022E+02 1.562056 1.491093 -1.051765 2.401355 0.998127 3.377521 9.602051 0.473875 1.397293 -0.684007 -0.009281 0.002272 0.015313 0.018049 -0.001543 0.001313 -0.001428 0.004323 0.009242 -0.004330 0.000196 0.004133 1.601127 1.307691 0.031487 -0.054758 1.275689 0.088120 2.219999 -0.000106 46 H 7.129536 14.784509 15.273363 0.141864 0.978224 0.67722270E+01 0.64296837E+02 1.683884 1.566713 -0.916283 2.467274 0.998782 3.365896 9.517994 0.474646 1.359184 -0.692633 0.002118 -0.036209 0.016051 0.039664 -0.000248 -0.003112 -0.002723 -0.019200 0.031890 -0.015306 0.003366 0.011939 1.730397 1.312576 -0.069154 0.010846 2.260263 -0.381331 1.618351 0.000027 47 H 4.448162 16.177946 9.555387 0.150535 0.894328 0.65189641E+01 0.61112964E+02 1.562713 1.510917 -0.995695 2.413817 0.997916 3.401705 9.460860 0.497528 1.313210 -0.700817 0.000851 0.014965 -0.000338 0.014993 0.000630 -0.002320 0.001842 -0.008517 -0.012400 -0.005967 -0.000680 0.006646 1.581129 1.636747 0.390837 -0.165812 1.714659 -0.190869 1.391980 -0.000033 48 H 4.530597 14.887393 10.441394 0.163889 0.935803 0.68336097E+01 0.63543233E+02 1.505191 1.468679 -0.775726 2.526094 0.999956 3.005323 7.799933 0.556483 1.183682 -0.733724 0.002485 -0.007677 0.012155 0.014589 -0.002377 -0.001000 -0.004147 0.003713 0.008569 -0.006350 0.001397 0.004954 1.504722 1.539483 -0.199521 0.257570 1.427100 -0.212203 1.547583 -0.000144 49 H 3.805390 14.838658 9.053707 0.168319 0.901641 0.64230666E+01 0.59605570E+02 1.544735 1.481646 -0.835627 2.503546 0.999718 3.137896 8.501920 0.514973 1.281674 -0.709651 -0.009295 -0.008881 -0.011501 0.017250 0.001767 -0.001086 0.002687 0.003524 0.007822 -0.004916 0.001192 0.003724 1.578244 1.309708 0.089891 0.100596 1.553362 0.406468 1.871661 0.000134 50 H 5.988810 17.995551 8.830738 0.167841 0.912148 0.66773918E+01 0.62713365E+02 1.571995 1.524472 -0.830671 2.507738 0.999603 3.182532 8.739736 0.499677 1.305159 -0.704824 -0.010962 0.010374 0.009367 0.017763 -0.006508 -0.001382 0.004021 0.007662 0.008858 -0.009684 0.001480 0.008205 1.590560 1.918337 -0.208895 -0.168432 1.455375 0.125610 1.397968 -0.000652 51 H 7.008111 17.923352 7.642549 0.170507 0.822120 0.58270023E+01 0.52893288E+02 1.466437 1.422660 -0.725798 2.559385 0.999982 3.075955 8.303903 0.518039 1.302532 -0.705191 0.007348 0.006317 -0.013536 0.016647 0.000715 0.000070 -0.003176 0.003878 0.009397 -0.004871 0.000454 0.004417 1.482901 1.304249 0.090811 -0.145363 1.300316 -0.196514 1.844140 0.000032 52 H 6.570313 16.611139 8.381867 0.155383 0.970377 0.73171991E+01 0.70382089E+02 1.639837 1.594989 -0.905753 2.460640 0.998964 3.353399 9.349661 0.488413 1.303772 -0.704315 0.001513 -0.013877 0.001487 0.014038 0.003050 0.004188 -0.001101 -0.011053 -0.002600 -0.008376 0.001631 0.006746 1.656785 1.520407 0.232697 0.056106 1.995207 0.185715 1.454741 0.000128 53 H 9.047827 1.813995 25.497656 0.298130 0.603493 0.40584884E+01 0.34118957E+02 1.258638 1.245085 -1.090533 2.469940 0.999860 2.610319 7.091812 0.508639 1.432403 -0.679269 -0.000347 0.036224 0.001966 0.036279 0.001477 0.002498 0.005763 -0.038713 0.017648 -0.022542 0.003452 0.019091 1.253369 1.091474 0.000211 0.033357 1.449580 0.035384 1.219053 0.000228 54 H 1.896011 5.932936 18.195428 0.309644 0.505545 0.31732115E+01 0.25647036E+02 1.210269 1.172045 -1.208724 2.415243 0.999458 2.795993 8.007307 0.466818 1.623381 -0.643917 -0.012800 0.023674 -0.008773 0.028307 -0.010475 -0.000468 -0.001129 -0.004176 0.043991 -0.018049 0.003320 0.014728 1.226957 1.060749 -0.129559 0.033042 1.435871 -0.103878 1.184252 0.000684 55 H 9.852128 2.792289 2.878058 0.301324 0.575385 0.37948089E+01 0.31692315E+02 1.264216 1.238803 -1.125469 2.451970 0.999881 2.718095 7.609440 0.483611 1.516512 -0.662858 -0.004129 0.031369 -0.012478 0.034011 -0.006770 0.000026 -0.008941 -0.026090 0.035760 -0.020803 0.001572 0.019230 1.266504 1.035922 -0.052088 0.039074 1.499829 -0.069494 1.263759 -0.000101 56 H 2.573317 17.185119 3.822741 0.312655 0.507245 0.32270102E+01 0.26018072E+02 1.186695 1.162667 -1.126232 2.464668 0.999917 2.643323 7.398319 0.483604 1.570876 -0.653564 -0.010782 -0.028812 -0.009035 0.032062 0.006057 0.010215 -0.002199 -0.015607 0.031912 -0.018855 0.004430 0.014425 1.193507 1.014166 0.032421 0.050463 1.400128 0.120161 1.166228 -0.001628 57 H 2.432954 0.747258 26.366061 0.307254 0.539445 0.35222655E+01 0.28609705E+02 1.175221 1.166512 -1.071539 2.492854 0.999852 2.476575 6.635902 0.520508 1.448730 -0.676652 -0.012075 -0.036762 -0.002842 0.038798 0.013328 0.003914 -0.004958 -0.033593 0.010847 -0.024277 0.003927 0.020350 1.170482 1.046642 0.092676 -0.003253 1.334643 -0.029759 1.130162 0.000185 58 H 10.969460 2.891562 13.724316 0.110351 0.991475 0.75336756E+01 0.74432253E+02 1.758719 1.696060 -1.484658 2.169822 0.991792 4.041940 12.172807 0.432957 1.431881 -0.674713 0.004033 0.023623 0.018217 0.030103 0.006715 0.000317 -0.000999 -0.011465 0.029147 -0.013708 0.003869 0.009839 1.765104 1.438980 0.002433 0.028367 1.991202 0.365580 1.865131 -0.000183 59 H 2.282566 5.568332 11.523966 0.307760 0.525267 0.33771565E+01 0.27059960E+02 1.140364 1.130880 -1.021364 2.518406 0.999898 2.417046 6.367571 0.538291 1.420082 -0.682153 -0.027374 0.026976 0.002328 0.038503 -0.019728 0.000061 -0.000853 0.003345 0.021623 -0.023413 0.007176 0.016238 1.136513 1.159333 -0.159328 -0.070325 1.134293 0.049077 1.115915 -0.000142 60 H 10.799019 17.221219 11.127903 0.085032 1.095293 0.80561703E+01 0.79760425E+02 1.797126 1.690073 -1.015429 2.389877 0.996564 3.707761 10.654629 0.465301 1.329577 -0.697498 -0.000160 -0.039762 -0.023198 0.046035 -0.000155 -0.001297 0.000259 -0.038034 0.008498 -0.020506 0.002900 0.017606 1.848175 1.520615 -0.037478 0.006625 2.031786 0.568092 1.992125 -0.000093 61 H 4.088343 4.192945 9.983721 0.080068 1.092967 0.85438744E+01 0.85875373E+02 1.789297 1.728763 -1.212181 2.285253 0.993842 3.953796 11.462643 0.464564 1.311738 -0.699578 0.038195 -0.016745 -0.002597 0.041785 -0.002784 -0.007750 0.004886 -0.000860 -0.002003 -0.008476 -0.001952 0.010428 1.830537 2.268563 -0.297711 -0.038151 1.648598 0.021028 1.574449 -0.000085 62 H 3.372048 3.120793 25.389105 0.092957 1.141624 0.91842208E+01 0.93952946E+02 1.834258 1.786676 -1.386496 2.200990 0.992226 4.017199 11.732539 0.459364 1.303409 -0.701004 0.017925 0.041367 0.006784 0.045591 0.001921 0.005630 -0.010491 0.002746 -0.023167 -0.015879 0.006220 0.009660 1.855087 1.698748 0.353877 0.032755 2.166887 0.061601 1.699626 0.000560 63 H 4.048240 0.687694 5.462736 0.085478 1.362656 0.11715255E+02 0.12633147E+03 2.024464 1.991576 -1.294144 2.257799 0.992847 3.949432 11.531880 0.447376 1.269619 -0.711390 0.044860 0.027767 0.003499 0.052874 0.018317 0.008783 -0.003538 0.007162 0.000824 -0.021980 0.002288 0.019691 2.033425 2.361447 0.328293 -0.038345 1.903104 0.002743 1.835723 -0.004909 64 H 10.636377 16.966718 13.381062 0.128011 1.007767 0.77170743E+01 0.75218516E+02 1.677681 1.642624 -0.857942 2.482969 0.999099 3.394544 9.525704 0.479269 1.311158 -0.703357 -0.003042 -0.034005 0.012504 0.036358 0.002670 -0.001582 0.000312 -0.032777 0.012312 -0.018769 0.004213 0.014556 1.658674 1.409936 0.057769 -0.055239 1.900840 -0.241342 1.665245 -0.000095 65 H 8.643448 17.428790 24.285996 0.078629 1.078050 0.85757184E+01 0.87110279E+02 1.829700 1.776539 -1.493440 2.150241 0.991661 4.263068 12.821625 0.436915 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0.79783215E+02 1.797324 1.690248 -1.015432 2.389836 0.996562 3.708179 10.656057 0.465286 1.329547 -0.697504 -0.000176 0.039751 0.023194 0.046024 0.000154 0.001298 0.000258 -0.038033 0.008506 -0.020507 0.002903 0.017604 1.848382 1.520768 0.037484 -0.006623 2.032019 0.568183 1.992358 0.000068 105 H 9.658293 4.831905 19.354279 0.080079 1.092981 0.85441043E+01 0.85879048E+02 1.789374 1.728833 -1.212270 2.285212 0.993840 3.953993 11.463648 0.464531 1.311810 -0.699562 0.038191 0.016747 0.002590 0.041782 0.002783 0.007750 0.004881 -0.000856 -0.002003 -0.008475 -0.001950 0.010425 1.830621 2.268673 0.297726 0.038154 1.648670 0.021030 1.574519 -0.000018 106 H 8.941998 5.904057 3.948895 0.092858 1.142011 0.91879743E+01 0.93999527E+02 1.834535 1.786926 -1.386685 2.200838 0.992224 4.017892 11.734495 0.459384 1.303240 -0.701037 0.017957 -0.041400 -0.006780 0.045633 -0.001922 -0.005661 -0.010483 0.002720 -0.023240 -0.015896 0.006225 0.009671 1.855376 1.698987 -0.353977 -0.032764 2.167277 0.061627 1.699863 -0.000458 107 H 9.618190 8.337156 23.875264 0.085532 1.363225 0.11721788E+02 0.12642111E+03 2.025066 1.992150 -1.294820 2.257435 0.992838 3.950613 11.536671 0.447300 1.269643 -0.711378 0.044825 -0.027749 -0.003476 0.052833 -0.018315 -0.008784 -0.003562 0.007177 0.000851 -0.021994 0.002312 0.019682 2.034039 2.362214 -0.328412 0.038374 1.903628 0.002745 1.836275 0.004823 108 H 5.066427 10.107832 15.956938 0.128001 1.007851 0.77178928E+01 0.75228330E+02 1.677752 1.642692 -0.857998 2.482920 0.999098 3.394713 9.526229 0.479268 1.311128 -0.703362 -0.003057 0.033999 -0.012503 0.036354 -0.002672 0.001583 0.000312 -0.032778 0.012316 -0.018770 0.004214 0.014556 1.658744 1.409993 -0.057774 0.055243 1.900920 -0.241354 1.665319 0.000160 109 H 3.073498 9.645760 5.052004 0.078661 1.078056 0.85758020E+01 0.87111952E+02 1.829744 1.776576 -1.493986 2.150011 0.991664 4.263231 12.822470 0.436897 1.380144 -0.684121 -0.005772 0.043958 -0.002703 0.044418 -0.006705 0.005660 0.005294 -0.015029 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0.58372517E+02 1.463607 1.419792 -0.762709 2.534662 0.999972 2.957901 7.628496 0.565365 1.184472 -0.733168 0.002914 0.003404 -0.012045 0.012851 0.003394 -0.000054 -0.000098 0.000294 0.007666 -0.004675 0.002095 0.002580 1.479939 1.246517 0.007833 -0.050414 1.258328 -0.080960 1.934973 0.000018 116 H 6.890028 2.362706 8.889414 0.165985 0.841182 0.59357591E+01 0.54833805E+02 1.558639 1.487265 -1.002795 2.427070 0.997382 3.365614 9.560849 0.474463 1.397435 -0.684010 0.006082 -0.014400 0.006253 0.016836 -0.001571 0.002687 0.000605 -0.006416 -0.011970 -0.005790 0.000223 0.005567 1.591519 1.305624 -0.162004 0.044750 2.182691 -0.079496 1.286241 -0.000151 117 H 8.523137 10.874944 23.253299 0.166213 0.923160 0.69776141E+01 0.67522435E+02 1.690915 1.639321 -1.348890 2.263259 0.993526 3.653454 10.833038 0.438240 1.444284 -0.674327 -0.016877 0.006384 0.001591 0.018114 0.000241 -0.004341 -0.002934 0.004328 -0.005998 -0.005811 -0.000237 0.006047 1.711433 1.814580 -0.374007 0.042891 1.875761 0.006451 1.443957 0.000397 118 H 9.986920 10.638493 23.760846 0.155575 0.939892 0.67488869E+01 0.64486891E+02 1.681817 1.588274 -1.148150 2.343112 0.996441 3.603520 10.468184 0.457317 1.401683 -0.682346 0.007070 0.004781 0.009110 0.012483 0.009577 0.000676 0.002862 -0.004708 0.006056 -0.010991 0.001212 0.009780 1.738030 1.956401 0.301221 0.422839 1.537327 0.204703 1.720362 0.001855 119 H 9.556920 10.131297 22.340887 0.170501 0.805385 0.56064446E+01 0.50824188E+02 1.492963 1.429944 -0.770640 2.539496 0.999628 3.195361 8.858305 0.494016 1.367672 -0.690863 0.000760 -0.005010 -0.014339 0.015208 -0.000977 -0.001165 0.001161 -0.007481 0.007142 -0.005194 0.001306 0.003888 1.531917 1.339268 -0.015886 -0.236293 1.221599 0.087382 2.034883 -0.000218 120 H 9.785288 2.608182 19.861826 0.162312 0.890269 0.62892958E+01 0.58882734E+02 1.606082 1.521156 -1.131632 2.357329 0.996918 3.463826 9.871149 0.474180 1.379674 -0.686940 0.011521 -0.003294 -0.007945 0.014377 0.001035 -0.003380 -0.003843 0.012063 0.001383 -0.008022 0.000070 0.007952 1.649902 1.901936 -0.418714 -0.275018 1.573714 0.155333 1.474057 0.000689 121 H 9.218267 3.359049 21.114559 0.166890 0.978301 0.72338472E+01 0.68957382E+02 1.618294 1.563406 -0.876623 2.482743 0.999435 3.172717 8.631650 0.507095 1.267085 -0.713720 0.003751 0.008476 0.011835 0.015033 0.001427 0.003717 0.003108 -0.011847 0.005593 -0.008230 0.000595 0.007636 1.640025 1.389265 -0.005192 0.115634 1.410589 0.078131 2.120221 -0.000211 122 H 8.251324 2.550423 20.184544 0.166499 0.884247 0.64904593E+01 0.60377503E+02 1.526249 1.491916 -0.707788 2.561968 0.999994 3.125124 8.472639 0.511990 1.286011 -0.709180 -0.013057 -0.007677 -0.006548 0.016502 0.006420 0.005493 -0.005064 0.003057 -0.005033 -0.011402 0.003706 0.007696 1.535836 1.738226 0.310660 -0.040087 1.557173 -0.065250 1.312110 -0.000200 123 H 7.122852 2.904197 15.789712 0.128954 1.001172 0.74052472E+01 0.72269532E+02 1.736027 1.659733 -1.140122 2.353982 0.995171 3.621937 10.561660 0.449906 1.394981 -0.684582 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1.774026 1.720115 -1.022110 2.403837 0.997128 3.539958 10.150908 0.460544 1.335016 -0.697900 -0.008851 0.030298 0.018512 0.036592 -0.007942 -0.000728 0.001978 -0.029926 0.014986 -0.019440 0.004554 0.014886 1.759506 1.532002 -0.225168 -0.092716 1.916053 0.297811 1.830463 0.000136 127 H 5.743732 6.593555 11.306865 0.077894 0.991282 0.70184624E+01 0.67267822E+02 1.687258 1.581387 -0.915550 2.428334 0.997435 3.702336 10.537181 0.478272 1.336181 -0.695228 0.010711 -0.035728 -0.021925 0.043266 -0.007138 -0.001445 0.006713 -0.028430 0.016709 -0.018693 0.001511 0.017182 1.730566 1.473257 -0.150111 -0.131607 1.950912 0.440108 1.767528 0.000040 128 H 4.702152 10.272084 11.565040 0.081754 1.187346 0.86707354E+01 0.86170270E+02 1.803914 1.685677 -0.767223 2.501043 0.999621 3.470365 9.526131 0.501511 1.228921 -0.721821 -0.007808 0.038556 -0.019322 0.043828 -0.006595 -0.003551 -0.002009 -0.028766 0.015783 -0.019079 0.005697 0.013382 1.843920 1.595066 -0.303269 0.190020 2.172923 -0.469734 1.763772 0.000266 129 H 5.788292 6.373349 13.586428 0.120136 0.880310 0.65252714E+01 0.62182160E+02 1.631936 1.585427 -1.282848 2.277632 0.993269 3.787162 11.194218 0.444953 1.444525 -0.673363 0.009609 -0.029299 0.014012 0.033869 -0.006345 0.001433 -0.001405 -0.019894 0.019827 -0.015147 0.005598 0.009550 1.631747 1.395885 -0.172921 0.042839 1.896968 -0.218566 1.602389 -0.000040 130 H 3.756374 6.131483 1.821890 0.131635 0.977886 0.69509197E+01 0.65443473E+02 1.593841 1.520386 -0.733039 2.544829 0.999819 3.154079 8.460446 0.521657 1.247087 -0.718308 -0.006747 -0.031275 0.023109 0.039467 0.002611 -0.004802 -0.003123 -0.023869 0.029129 -0.017802 0.005015 0.012786 1.598870 1.301054 0.075155 -0.080601 1.793655 -0.315080 1.701902 0.000125 131 H 2.542125 6.904010 24.239056 0.151644 0.924548 0.69371583E+01 0.65053027E+02 1.519149 1.500100 -0.718996 2.543649 0.999992 3.111955 8.235882 0.536945 1.216439 -0.725329 -0.004138 -0.011666 0.003970 0.012999 0.000619 0.000551 -0.004226 -0.002570 -0.014899 -0.006745 0.001236 0.005509 1.512902 1.572267 0.291876 -0.054504 1.641252 -0.027798 1.325187 -0.000110 132 H 2.820623 8.427405 24.479627 0.161903 0.928964 0.68164880E+01 0.65052948E+02 1.647392 1.581594 -1.116019 2.367908 0.996715 3.485596 9.997220 0.466379 1.376134 -0.688045 0.001270 0.012176 0.007184 0.014194 0.002323 0.000051 0.002146 -0.003485 -0.001648 -0.003066 -0.000960 0.004026 1.678085 1.541919 -0.360143 -0.173606 1.909177 0.342704 1.583159 0.000097 133 H 3.279587 7.748736 23.144748 0.167462 0.845121 0.59667450E+01 0.55193405E+02 1.562018 1.491060 -1.051747 2.401366 0.998127 3.377439 9.601711 0.473884 1.397281 -0.684009 0.009281 0.002271 -0.015314 0.018050 0.001542 0.001313 0.001429 0.004324 0.009248 -0.004331 0.000196 0.004135 1.601087 1.307664 -0.031486 -0.054757 1.275661 -0.088113 2.219937 -0.000088 134 H 4.010364 5.759659 28.733637 0.141899 0.978079 0.67709763E+01 0.64282191E+02 1.683749 1.566592 -0.916303 2.467299 0.998783 3.365596 9.517036 0.474651 1.359227 -0.692626 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0.365642 7.902232 -0.000733 187 C 5.927541 17.271758 0.661572 0.107553 30.888299 0.40933481E+03 0.95146390E+04 8.811134 6.944323 -0.224624 1.947164 0.999231 26.739361 77.362267 0.596458 0.441786 -1.044723 -0.003924 -0.002517 0.007412 0.008756 -0.011174 0.002224 0.000219 -0.007141 0.004938 -0.012811 0.001764 0.011047 9.786164 5.115523 1.220514 -0.128036 8.646555 0.245253 15.596412 -0.000006 188 C 3.351996 17.352982 21.083460 0.551952 21.845794 0.27452389E+03 0.58280293E+04 7.318688 5.942289 -0.258056 1.969854 0.998766 23.039835 65.651682 0.598144 0.482346 -1.012656 0.033738 -0.016456 0.029719 0.047878 -0.046409 -0.044550 0.069164 -0.055132 0.047512 -0.063086 -0.051434 0.114520 8.313776 9.048958 -0.778126 2.795068 6.902854 -3.019815 8.989516 0.016249 189 C 3.394328 14.306192 24.114076 0.592173 21.940825 0.24546523E+03 0.50635378E+04 7.281265 5.598142 0.041489 2.085792 0.999409 21.957028 61.521011 0.620173 0.478772 -1.015312 0.047116 0.034496 -0.037895 0.069612 -0.034457 0.082469 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30.701292 91.276419 0.588060 0.429296 -1.050375 0.001265 0.005832 -0.005375 0.008032 0.001234 -0.001740 -0.018635 0.028205 -0.021931 -0.027581 0.009293 0.018288 9.346942 4.901897 0.090608 0.291956 9.543664 0.842431 13.595264 0.001808 193 C 6.050080 15.085939 19.973897 0.599172 21.398290 0.24332617E+03 0.50158317E+04 7.193800 5.600476 -0.022520 2.066509 0.999113 21.953705 61.786616 0.614695 0.483384 -1.011389 -0.023924 -0.040992 0.034264 0.058538 -0.034815 0.054753 0.007226 0.166422 -0.101854 -0.082552 -0.042029 0.124580 8.253513 4.978497 1.240836 -2.051754 9.799697 -0.943943 9.982346 -0.002490 194 C 5.876297 0.064979 26.326454 0.083150 25.002329 0.34573569E+03 0.77348862E+04 7.604920 6.337221 0.071208 2.038040 0.999266 26.633965 76.588229 0.628509 0.435597 -1.044247 -0.008247 -0.043813 0.001599 0.044611 -0.004042 -0.009032 -0.019609 0.015617 -0.122324 -0.048470 0.018913 0.029558 8.161999 4.535743 0.082451 0.362260 8.365668 -0.463164 11.584587 0.000327 195 C 2.596711 13.369413 28.410039 -0.116938 41.066070 0.55686525E+03 0.13864465E+05 10.325209 7.874267 -0.106238 1.937403 0.999299 30.086885 87.697252 0.589185 0.417543 -1.068335 0.006495 -0.005184 0.033821 0.034827 -0.015173 -0.014629 0.011094 -0.003023 0.014039 -0.018491 -0.008909 0.027400 11.783949 9.567447 -2.465079 4.759798 7.835912 -2.285394 17.948488 0.005642 196 C 2.884120 13.750261 2.933213 0.493717 24.657904 0.28138856E+03 0.59969265E+04 7.768817 5.930505 -0.006983 2.047698 0.999621 23.235388 65.839638 0.613162 0.468714 -1.022293 -0.007753 0.013067 0.045789 0.048244 0.026482 -0.005753 -0.006171 0.075201 -0.057781 -0.037342 -0.018994 0.056336 8.733082 4.981757 -1.448575 0.258986 8.904066 -0.387938 12.313424 -0.000362 197 C 2.055312 13.660013 27.055797 0.495709 24.506392 0.28253555E+03 0.60219524E+04 7.701572 5.918557 -0.141179 1.998641 0.999412 23.349141 65.966536 0.618090 0.464932 -1.025309 -0.010351 0.018609 -0.046274 0.050938 0.040348 -0.010080 -0.001875 -0.034213 -0.025033 -0.041328 -0.007566 0.048895 8.653137 7.893758 -2.045551 0.501695 5.705533 -0.068734 12.360121 -0.000706 198 C 2.326011 13.360388 24.640106 0.096303 26.146535 0.35847279E+03 0.80088873E+04 7.720151 6.287046 -0.232497 1.971698 0.998159 25.052054 69.582915 0.663012 0.413493 -1.069004 0.000145 -0.107818 0.059574 0.123182 -0.028759 0.037291 0.007599 -0.030702 0.171854 -0.071417 0.001843 0.069574 8.796643 7.991175 2.186986 -0.774887 8.412034 0.090461 9.986720 0.010821 199 C 2.669120 15.759193 10.498310 0.080861 25.792108 0.36303011E+03 0.81477646E+04 7.666608 6.344814 -0.285790 1.952342 0.997843 25.354838 70.908250 0.656272 0.415840 -1.065998 0.111505 0.020487 0.061514 0.128985 0.016486 -0.014699 0.059671 -0.007422 0.070611 -0.063995 -0.005504 0.069498 8.587973 7.835915 -0.801270 0.753928 6.565256 0.739206 11.362749 -0.012956 200 C 6.854380 16.771781 15.533297 -0.111862 41.376128 0.55365056E+03 0.13782326E+05 10.431576 7.890108 -0.223171 1.903652 0.998763 30.112556 88.137416 0.583523 0.421659 -1.064339 -0.005383 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8.655114 7.306789 0.041965 1.986714 0.998513 30.352870 89.440598 0.595061 0.428135 -1.052484 -0.002420 -0.003442 -0.004737 0.006336 0.000363 0.000911 0.013690 -0.027753 -0.063849 -0.025091 -0.003218 0.028309 9.183420 5.074139 0.188971 0.279842 8.427773 -1.005517 14.048348 0.001202 204 C 6.683940 17.064186 16.978194 0.496976 24.492385 0.27569585E+03 0.58540519E+04 7.799409 5.896406 -0.106056 2.014938 0.999387 23.272493 66.132937 0.609964 0.472907 -1.018558 -0.009360 0.012645 0.047166 0.049721 0.012657 0.008547 -0.003723 0.078243 -0.016105 -0.039192 -0.005843 0.045036 8.966474 4.640217 -0.434993 -0.944490 8.348318 -1.925775 13.910887 -0.000357 205 C 7.921583 17.712171 9.470600 0.080807 26.741624 0.37856027E+03 0.86142727E+04 7.941326 6.540515 -0.465452 1.889262 0.997364 26.000840 74.015016 0.635188 0.423760 -1.057471 -0.112955 -0.051459 0.043153 0.131411 0.025357 0.008933 -0.038752 -0.029206 0.147459 -0.061369 -0.007067 0.068436 9.041777 9.741133 -0.310291 -0.770873 6.395881 0.572375 10.988318 -0.015239 206 C 5.719225 15.872906 26.499842 0.103123 25.172163 0.34456138E+03 0.77064926E+04 7.663376 6.351901 0.031248 2.028125 0.999407 26.490204 76.307612 0.623654 0.439109 -1.041554 -0.000502 0.043004 -0.007692 0.043689 -0.002609 -0.002746 0.016308 0.041206 -0.136123 -0.050474 0.006848 0.043626 8.225197 4.399964 0.178190 0.370435 8.750677 0.125497 11.524950 0.000758 207 C 3.369820 13.161841 5.232139 0.088178 25.951213 0.37232353E+03 0.84081392E+04 7.696245 6.428506 -0.178963 1.980326 0.998405 25.517259 71.550538 0.651622 0.416228 -1.065899 0.075239 -0.073402 -0.064784 0.123474 -0.017928 0.035365 0.016814 -0.036139 0.148343 -0.063700 0.000675 0.063024 8.611650 8.669176 0.051341 -0.730317 6.943557 -0.943918 10.222217 0.023420 208 C 6.630468 16.298879 19.278880 0.083191 26.016986 0.36994663E+03 0.83628883E+04 7.804087 6.464400 -0.323712 1.942858 0.997695 25.556861 72.311396 0.639647 0.423593 -1.058470 0.102286 0.025823 -0.070844 0.127075 -0.004883 0.010039 0.040382 0.022791 0.196800 -0.059071 -0.020422 0.079492 8.898626 7.537472 1.022063 -0.346399 7.372823 -2.172356 11.785584 0.003483 209 C 3.770856 12.504832 0.862831 -0.120877 33.097658 0.47695118E+03 0.11636702E+05 9.312419 7.565060 -0.463309 1.822281 0.997496 31.424806 96.313386 0.557915 0.449968 -1.029355 -0.009363 0.001921 -0.027899 0.029491 0.021063 0.004400 -0.003598 0.005852 0.033726 -0.027693 0.011814 0.015878 10.021237 8.709775 -2.586274 1.114216 8.374164 0.257447 12.979772 0.002346 210 C 2.935364 17.056967 18.022920 0.500313 23.932518 0.27526772E+03 0.58524760E+04 7.751566 5.932261 -0.034666 2.046558 0.999473 23.165772 66.233017 0.600904 0.479420 -1.013383 0.000128 -0.003615 0.046669 0.046808 0.010845 0.000956 0.009507 0.091181 -0.081529 -0.040057 -0.020443 0.060500 8.789353 4.538156 -0.833262 -0.506734 8.076466 0.487329 13.753438 -0.002820 211 C 2.972125 13.401902 1.495358 -0.108361 40.414682 0.55734808E+03 0.13907640E+05 10.280327 7.940745 -0.128105 1.938697 0.998815 30.009462 88.151141 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28.139022 0.46463805E+03 0.11101997E+05 7.846002 6.961130 0.284794 2.044584 0.998356 32.373854 93.696614 0.655456 0.391089 -1.081488 0.008181 0.061944 0.049185 0.079518 -0.007913 0.029158 0.031608 -0.053556 0.003512 -0.053161 0.003989 0.049172 8.341091 7.510826 1.308647 -0.128607 8.894247 1.676945 8.618199 0.004683 215 C 3.555856 12.484977 28.804342 -0.145023 32.959550 0.48016178E+03 0.11702730E+05 9.169552 7.507167 -0.257689 1.880579 0.998329 31.485296 95.592435 0.570967 0.440145 -1.037879 -0.000756 -0.002286 0.029925 0.030022 0.007457 -0.006428 0.009697 0.007420 0.050360 -0.020362 -0.000070 0.020432 9.793789 8.445243 -2.570348 1.497816 8.057689 -0.054912 12.878435 0.001313 216 C 3.054561 17.217609 16.551619 -0.100404 41.717811 0.56103365E+03 0.14053250E+05 10.658570 8.045225 -0.184344 1.924974 0.998152 30.118237 89.272490 0.565197 0.432632 -1.054455 0.014715 0.006079 -0.027549 0.031819 -0.003503 0.009488 0.013963 -0.029448 -0.013216 -0.022005 -0.001860 0.023865 12.380908 6.058365 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5.593344 16.210436 1.461326 -0.190630 31.104927 0.48226430E+03 0.11708234E+05 8.742144 7.469798 -0.111508 1.939679 0.997812 30.630223 91.314247 0.581482 0.433874 -1.046821 -0.000949 0.008382 0.004006 0.009339 -0.002867 0.006459 0.018872 0.006959 -0.049785 -0.028802 0.012800 0.016002 9.183641 5.358182 1.109293 -0.574449 9.217900 -1.036535 12.974842 0.000195 226 C 7.234251 15.838612 13.461155 -0.132594 31.264741 0.43311350E+03 0.10202366E+05 8.636006 6.972736 0.200512 2.031933 0.999748 29.737615 86.387213 0.617690 0.420955 -1.058255 -0.004776 -0.010318 0.036608 0.038333 -0.003706 -0.008601 0.005789 -0.012067 0.022825 -0.013475 -0.001317 0.014792 9.266633 4.987547 -0.098777 -1.123701 10.284669 -1.249371 12.527683 -0.002401 227 C 7.977282 16.645433 19.918448 -0.496830 26.373682 0.45572171E+03 0.10841057E+05 7.521545 6.904354 0.258196 2.044566 0.997268 31.978120 92.479118 0.656382 0.392263 -1.080207 -0.084130 -0.012722 -0.034860 0.091951 -0.007545 0.024462 0.010611 0.053259 -0.049494 -0.035629 -0.009188 0.044817 7.806021 8.395597 1.214710 0.604958 6.563743 -0.346041 8.458722 0.001855 228 C 7.080520 15.620210 14.868205 -0.128387 32.428661 0.44587962E+03 0.10615861E+05 8.977872 7.166264 0.027602 1.983767 0.999029 30.021693 88.663847 0.595620 0.431916 -1.047889 0.001115 0.001522 -0.036888 0.036936 -0.000455 0.000811 -0.006736 -0.005992 0.031858 -0.008348 -0.005181 0.013529 9.696091 5.123480 -0.493366 -1.111671 11.194759 -1.105561 12.770033 0.001559 229 C 3.984742 15.380149 9.824416 -0.494401 25.850888 0.43551137E+03 0.10227012E+05 7.392276 6.739678 0.437714 2.101952 0.998140 31.549185 90.175577 0.666879 0.391120 -1.082733 -0.079377 0.014322 0.040304 0.090168 -0.006399 -0.032295 0.009412 0.034058 -0.031197 -0.031464 -0.012572 0.044036 7.684434 8.852185 -0.399584 -1.006661 6.439490 0.612054 7.761627 -0.002555 230 C 6.765261 17.546113 8.490417 -0.503900 27.511365 0.45834301E+03 0.10906411E+05 7.727493 6.906668 0.298776 2.055727 0.997683 31.939133 92.029981 0.659534 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26.147737 0.35849356E+03 0.80093941E+04 7.720029 6.286971 -0.232382 1.971718 0.998159 25.052683 69.582771 0.663063 0.413459 -1.069035 -0.000124 0.107885 0.059616 0.123261 -0.028825 -0.037298 -0.007590 -0.030648 0.171940 -0.071467 0.001859 0.069607 8.796480 7.991057 2.186825 0.774802 8.411721 -0.090507 9.986661 -0.010493 245 C 2.900830 2.290507 25.167310 0.080834 25.793044 0.36304514E+03 0.81481807E+04 7.666655 6.344834 -0.285964 1.952264 0.997842 25.355925 70.911478 0.656289 0.415826 -1.066008 -0.111571 -0.020515 0.061588 0.129082 0.016496 0.014734 -0.059603 -0.007472 0.070567 -0.063953 -0.005483 0.069436 8.588001 7.835937 -0.801305 -0.753776 6.565292 -0.739179 11.362776 0.014650 246 C 9.855470 1.277919 0.864297 -0.111860 41.376290 0.55365143E+03 0.13782329E+05 10.431536 7.890067 -0.223094 1.903673 0.998763 30.112491 88.136648 0.583531 0.421654 -1.064344 0.005376 0.005282 -0.028308 0.029294 -0.009220 0.000735 0.016858 -0.037183 0.002308 -0.022364 -0.007276 0.029640 11.978119 6.270085 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1.799094 5.544868 15.531831 -0.120960 33.100581 0.47699661E+03 0.11638091E+05 9.312814 7.565299 -0.463080 1.822315 0.997498 31.427203 96.321995 0.557919 0.449954 -1.029363 0.009351 -0.001936 -0.027925 0.029512 0.021016 -0.004434 0.003609 0.005869 0.033851 -0.027676 0.011848 0.015829 10.021710 8.710059 -2.586397 -1.114281 8.374589 -0.257468 12.980482 0.003146 256 C 2.634586 0.992734 3.353920 0.500281 23.933350 0.27527950E+03 0.58527667E+04 7.751662 5.932340 -0.034610 2.046572 0.999473 23.165846 66.232633 0.600910 0.479413 -1.013391 -0.000121 0.003610 0.046659 0.046799 0.010856 -0.000956 -0.009514 0.091167 -0.081584 -0.040061 -0.020444 0.060505 8.789452 4.538199 -0.833280 0.506740 8.076624 -0.487298 13.753532 0.002736 257 C 2.597825 4.647798 16.164358 -0.108617 40.426020 0.55751684E+03 0.13912995E+05 10.282232 7.941948 -0.128334 1.938561 0.998814 30.015218 88.173564 0.578517 0.424255 -1.061924 -0.003055 0.004587 -0.030797 0.031286 -0.018187 -0.016842 0.011891 -0.018530 -0.001136 -0.024366 -0.007728 0.032095 11.567192 7.668351 -1.644377 0.672323 8.331853 -2.754867 18.701372 0.002805 258 C 1.158550 5.732585 20.626961 -0.488415 26.095493 0.42596298E+03 0.99175618E+04 7.379038 6.609883 0.583365 2.159982 0.998424 30.735605 86.617916 0.683953 0.384633 -1.090552 0.049547 -0.041691 -0.044334 0.078477 -0.032188 -0.027809 0.017909 0.005577 -0.010503 -0.032879 -0.020117 0.052996 7.803461 8.792562 -0.524565 -0.746199 7.283688 0.950461 7.334133 0.003069 259 C 3.696219 16.806076 6.092036 -0.500993 27.775137 0.46513764E+03 0.11132695E+05 7.806798 6.965191 0.103195 2.002612 0.995739 32.030086 93.210630 0.654292 0.391125 -1.079931 -0.027051 0.071332 -0.029298 0.081721 -0.019975 0.023594 -0.026195 -0.062234 -0.017524 -0.043273 -0.013455 0.056727 8.268437 7.602789 -1.268197 -0.084633 8.703665 -0.637132 8.498856 -0.003126 260 C 3.467851 5.923912 9.129986 -0.522129 28.135854 0.46456767E+03 0.11099775E+05 7.845143 6.960397 0.285307 2.044795 0.998355 32.370318 93.680789 0.655527 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0.47531321E+03 0.11552134E+05 8.982150 7.499155 -0.258083 1.883817 0.998099 31.219443 94.570450 0.567999 0.443686 -1.036077 0.003280 -0.004296 0.026067 0.026622 -0.005402 -0.000446 0.014876 -0.001338 0.072152 -0.020097 -0.009497 0.029594 9.600802 5.563562 0.622781 -0.416480 10.176711 -1.554706 13.062132 0.004088 264 C 2.838447 2.144304 27.575666 0.487938 26.140043 0.28326340E+03 0.60300387E+04 8.027906 5.898885 0.041727 2.059727 0.999716 23.179453 65.047407 0.624591 0.460660 -1.029606 0.010810 0.031918 -0.037708 0.050571 -0.021354 -0.002517 -0.001963 0.067850 -0.032091 -0.035013 -0.010485 0.045497 9.279922 4.575048 1.127828 -0.574762 9.100646 -1.605426 14.164073 -0.000634 265 C 2.382825 17.786174 1.088146 -0.119076 31.563306 0.46321952E+03 0.11213002E+05 8.983895 7.410463 -0.400413 1.843668 0.997364 31.149910 94.917550 0.569162 0.444565 -1.033061 -0.005227 0.015695 -0.022923 0.028269 -0.000794 -0.010993 -0.010563 0.039252 0.034812 -0.028552 0.003892 0.024660 9.648884 5.459598 0.329771 -0.190541 10.436937 -0.725194 13.050116 -0.010030 266 C 10.455910 17.654412 15.954591 -0.197675 30.661295 0.48225318E+03 0.11710019E+05 8.655577 7.469269 -0.071314 1.945804 0.998408 30.934643 92.284501 0.581448 0.433823 -1.046662 0.001089 0.000912 0.006472 0.006626 0.004152 -0.005650 0.024849 -0.014784 -0.029061 -0.027824 -0.000614 0.028439 8.935293 5.639910 1.575333 -0.177418 8.710718 -1.218610 12.455252 0.001176 267 C 11.093112 1.691257 17.513319 0.074758 25.274488 0.36040672E+03 0.81551214E+04 7.713163 6.532243 -0.022792 2.004057 0.998768 27.070714 78.532169 0.609685 0.443980 -1.038289 -0.008794 -0.037079 -0.011145 0.039704 -0.004467 0.009307 0.033338 0.024631 -0.120906 -0.058523 0.024878 0.033645 8.123058 4.945546 1.041927 0.288003 8.963304 0.203195 10.460325 0.000276 268 C 9.404304 0.220206 26.498082 0.489179 25.274343 0.28072267E+03 0.59581468E+04 7.805800 5.841870 0.020459 2.048607 0.999519 23.165470 64.756342 0.633016 0.455887 -1.033046 -0.004548 -0.030627 -0.042761 0.052794 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2.429490 0.199205 -0.128314 32.426632 0.44584294E+03 0.10614771E+05 8.977579 7.166020 0.027527 1.983773 0.999028 30.020116 88.658349 0.595624 0.431922 -1.047885 -0.001125 -0.001516 -0.036892 0.036940 -0.000458 -0.000815 0.006738 -0.005962 0.031848 -0.008332 -0.005194 0.013527 9.695805 5.123313 -0.493358 1.111627 11.194479 1.105584 12.769624 -0.001498 275 C 1.585208 2.669551 24.493416 -0.494443 25.852460 0.43554556E+03 0.10228041E+05 7.392609 6.739956 0.437620 2.101903 0.998140 31.550628 90.181432 0.666861 0.391122 -1.082729 0.079363 -0.014361 0.040347 0.090180 -0.006379 0.032254 -0.009436 0.034003 -0.031091 -0.031430 -0.012548 0.043978 7.684791 8.852572 -0.399651 1.006782 6.439717 -0.612146 7.762085 0.003145 276 C 9.944589 0.503587 23.159417 -0.503936 27.512835 0.45837197E+03 0.10907295E+05 7.727767 6.906873 0.298737 2.055691 0.997684 31.940676 92.035848 0.659525 0.390280 -1.082829 -0.062553 -0.012437 0.051135 0.081746 0.003486 -0.038568 -0.004339 0.033042 0.063941 -0.027564 -0.025744 0.053308 8.274781 9.663072 0.584068 -1.856932 6.308004 -0.669168 8.853267 0.004776 277 C 9.138060 3.891515 8.791425 0.612988 21.609292 0.24472648E+03 0.50575733E+04 7.247476 5.640468 -0.120942 2.031677 0.999019 22.067862 62.413930 0.607945 0.487507 -1.008120 0.058085 -0.011537 -0.035056 0.068818 0.041165 0.058902 0.059197 0.015939 0.093671 -0.061998 -0.050119 0.112117 8.261423 8.730573 -1.435596 -2.525951 8.291496 -2.104042 7.762199 -0.010435 278 C 9.330780 7.505065 5.158794 0.596185 21.289502 0.24444715E+03 0.50459952E+04 7.147191 5.620766 0.023527 2.084309 0.999174 21.969652 61.925371 0.612219 0.484660 -1.010470 0.035104 0.026253 0.059891 0.074219 0.009591 -0.079795 -0.004999 0.105519 0.034548 -0.059782 -0.051882 0.111664 8.017722 6.575827 0.418277 2.788220 9.575253 -0.365232 7.902086 -0.000877 279 C 5.212359 8.246908 14.007428 0.107541 30.888801 0.40933981E+03 0.95147641E+04 8.811124 6.944289 -0.224502 1.947191 0.999232 26.739585 77.362418 0.596471 0.441777 -1.044731 0.003844 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7.976557 -0.168944 1.921619 0.998822 30.222074 88.803325 0.576913 0.424702 -1.061844 -0.003348 0.013969 -0.024242 0.028178 -0.002495 -0.004554 0.017522 -0.019746 0.032376 -0.016066 -0.010001 0.026067 12.691914 6.204844 -1.275244 1.922515 12.909134 -6.857299 18.961763 0.009739 283 C 1.955052 8.100705 5.798949 0.609800 21.325467 0.24753662E+03 0.51283508E+04 7.190389 5.675838 -0.146623 2.023207 0.998923 22.103406 62.515532 0.605781 0.488036 -1.008224 -0.054603 -0.036624 0.033251 0.073678 -0.006205 0.075958 -0.005494 0.062298 0.196609 -0.064631 -0.050733 0.115364 8.084357 9.355646 0.443305 -2.686042 8.956658 -0.182821 5.940766 -0.002980 284 C 5.359406 6.911230 16.120938 -0.194794 31.791148 0.48243779E+03 0.11704852E+05 8.832685 7.431636 -0.043137 1.957943 0.998466 30.700653 91.274072 0.588061 0.429298 -1.050375 -0.001291 0.005819 0.005375 0.008026 -0.001258 -0.001729 0.018627 0.028210 -0.021970 -0.027577 0.009278 0.018299 9.346786 4.901859 -0.090629 0.291932 9.543537 -0.842464 13.594963 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0.005861 0.033776 -0.027685 0.011832 0.015852 10.021505 8.709820 2.586359 -1.114191 8.374489 0.257412 12.980207 0.003276 348 C 8.505314 10.017584 11.315080 0.500158 23.932808 0.27528334E+03 0.58528485E+04 7.751744 5.932532 -0.034777 2.046590 0.999470 23.164293 66.227452 0.600879 0.479437 -1.013382 0.000277 0.003552 -0.046738 0.046874 -0.010874 -0.001090 0.009578 0.091317 -0.081742 -0.040159 -0.020455 0.060615 8.789516 4.538179 0.833115 0.506446 8.076353 0.487321 13.754017 -0.002850 349 C 8.542075 13.672648 27.842642 -0.108515 40.420595 0.55743364E+03 0.13910380E+05 10.281424 7.941421 -0.128294 1.938604 0.998814 30.012429 88.163242 0.578530 0.424262 -1.061921 0.003076 0.004569 0.030813 0.031301 0.018119 -0.016840 -0.011890 -0.018547 -0.001328 -0.024324 -0.007730 0.032053 11.566250 7.667788 1.644262 0.672367 8.331269 2.754650 18.699692 0.004072 350 C 9.981350 14.757435 23.380039 -0.488430 26.095030 0.42595438E+03 0.99172844E+04 7.378890 6.609776 0.583459 2.160015 0.998425 30.735164 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32.958768 0.48014333E+03 0.11702157E+05 9.169437 7.507037 -0.257697 1.880587 0.998330 31.484410 95.588956 0.570970 0.440147 -1.037879 -0.000726 0.002251 -0.029908 0.030002 -0.007477 0.006457 0.009676 0.007398 0.050415 -0.020380 -0.000067 0.020447 9.793735 8.445015 2.570321 -1.497855 8.057613 -0.055087 12.878578 -0.000273 354 C 8.624511 9.856941 12.786381 -0.100241 41.707869 0.56090774E+03 0.14049084E+05 10.656522 8.044065 -0.183729 1.925212 0.998155 30.113140 89.249513 0.565273 0.432604 -1.054488 0.014749 -0.006067 0.027573 0.031853 0.003484 -0.009477 0.013889 -0.029203 -0.013546 -0.021915 -0.001815 0.023730 12.378228 6.057379 -0.020630 0.250499 8.760754 -1.703526 22.316552 0.013805 355 C 8.712516 9.069974 14.947711 -0.136466 31.733706 0.47524095E+03 0.11549873E+05 8.981402 7.498723 -0.258250 1.883841 0.998095 31.214847 94.552710 0.568003 0.443703 -1.036073 -0.003264 -0.004300 -0.026012 0.026566 0.005424 -0.000470 -0.014830 -0.001249 0.071981 -0.020081 -0.009434 0.029516 9.599877 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-0.098506 -0.074699 0.015578 0.059121 7.990265 10.784901 -0.600406 -1.553113 5.993578 0.099512 7.192318 0.101476 473 O 6.953526 15.195862 23.781089 -0.553349 40.143362 0.63191504E+03 0.15810147E+05 9.334495 7.859714 0.119167 2.092675 0.994771 27.915624 74.751108 0.667794 0.366595 -1.133546 -0.002866 -0.030666 -0.014139 0.033890 -0.008742 -0.050136 -0.017599 -0.015041 -0.013306 -0.059994 0.013519 0.046476 10.338689 10.166127 -4.771969 -0.149800 12.897841 1.712831 7.952098 0.073994 474 O 4.406944 9.159862 21.028598 -0.532718 37.474754 0.57922647E+03 0.14186593E+05 8.889561 7.510538 0.188543 2.121638 0.994442 27.410546 72.733435 0.684781 0.365195 -1.134095 -0.009656 0.044534 0.007150 0.046126 -0.039893 -0.006372 -0.024102 0.006378 0.073262 -0.058219 0.017780 0.040439 9.691320 11.215867 -3.815217 2.800083 9.761506 -2.137150 8.096587 0.110789 475 O 8.583293 10.698418 7.526077 -0.481437 29.467657 0.47190402E+03 0.10966782E+05 7.497136 6.687352 0.453877 2.202259 0.998489 26.603383 68.475728 0.741643 0.355374 -1.143312 0.019123 -0.006607 0.008164 0.021817 0.012436 0.009873 -0.029083 -0.070130 0.057722 -0.050391 -0.001276 0.051667 8.115707 6.151059 -0.346117 -0.029741 8.911963 -3.986852 9.284100 0.200760 476 O 8.993241 11.600903 4.767132 -0.518625 33.230714 0.54036390E+03 0.13020362E+05 8.225567 7.262446 0.154665 2.106529 0.996028 27.345841 72.214269 0.694478 0.366025 -1.132284 0.001383 0.004473 0.014169 0.014922 0.011786 -0.044948 0.011116 -0.067032 -0.020877 -0.067394 0.027706 0.039688 8.790256 6.609403 -1.776631 0.372728 12.613348 1.114229 7.148018 -0.089314 477 O 7.413603 9.285668 19.861826 -0.546433 36.954194 0.58237515E+03 0.14283141E+05 8.830775 7.536101 0.177836 2.113841 0.994542 27.701202 73.556148 0.682910 0.365697 -1.133699 -0.004107 0.015854 0.014394 0.021804 -0.007900 0.043256 0.007388 -0.073356 -0.080854 -0.069350 0.018209 0.051140 9.611647 6.499703 1.603006 -0.187481 14.996637 -0.794102 7.338602 0.066160 478 O 8.491946 11.141358 10.829536 -0.483211 27.149787 0.44253159E+03 0.10152189E+05 7.136944 6.538640 0.629977 2.270372 0.997107 26.470118 68.393777 0.736935 0.362295 -1.134236 0.013915 -0.036550 -0.002624 0.039197 0.007859 -0.028185 -0.049113 0.054154 -0.202184 -0.094971 0.022121 0.072850 7.320770 5.097954 0.662557 -0.440374 9.504220 -2.191963 7.360136 0.026101 479 O 0.911244 8.868901 12.007457 -0.500877 25.809241 0.42458734E+03 0.95971309E+04 6.731209 6.292317 1.025211 2.396146 0.999410 26.088838 65.938038 0.774901 0.349692 -1.149461 -0.003408 0.049896 0.000855 0.050019 0.004845 -0.010774 0.022940 0.030415 -0.226721 -0.081665 0.027462 0.054202 6.752162 5.239876 0.660874 0.330449 9.154868 0.500110 5.861743 0.013019 480 O 7.963915 12.373069 16.315449 -0.512870 29.290453 0.44422936E+03 0.10144902E+05 7.392968 6.424036 0.954929 2.361912 0.999304 26.553101 67.232589 0.769885 0.348369 -1.151727 0.008551 -0.040230 0.009576 0.042229 -0.010010 0.004788 -0.027350 -0.019845 -0.228184 -0.081888 0.024230 0.057658 7.860445 4.963475 -1.785162 -0.052125 12.663482 -0.252519 5.954380 0.037451 481 O 7.968370 12.238238 26.062119 -0.519798 29.675164 0.45888661E+03 0.10572184E+05 7.489927 6.574595 0.987431 2.388485 0.997269 26.423564 67.348275 0.752632 0.353235 -1.146963 0.011356 0.033824 -0.001983 0.035735 -0.003438 0.017099 0.031271 -0.033110 -0.291419 -0.105174 0.034230 0.070944 7.912912 5.704035 1.696801 0.530101 11.716019 1.316831 6.318683 0.009934 482 O 0.435570 13.089462 9.925632 -0.567957 30.453410 0.46359831E+03 0.10710984E+05 7.594361 6.570960 0.974579 2.376380 0.998038 26.839501 68.566576 0.759052 0.349259 -1.149898 0.004472 -0.020748 0.008548 0.022881 0.020343 -0.039125 0.040969 0.001416 -0.163756 -0.088287 0.040634 0.047653 8.219266 4.915551 -0.004017 0.456311 12.728928 1.536985 7.013320 0.019655 483 O 1.584094 8.019121 17.576983 -0.492986 30.272175 0.46685326E+03 0.10796497E+05 7.636523 6.673990 0.835349 2.356999 0.995596 25.918474 66.073780 0.740255 0.357785 -1.143893 0.009446 0.028580 0.001577 0.030141 0.002544 -0.023937 0.008784 -0.028466 -0.274482 -0.096517 0.035977 0.060541 8.059387 5.239121 0.589229 0.330051 12.783168 -0.190160 6.155872 0.011349 484 O 6.654976 12.678109 2.407476 -0.495080 30.294922 0.46844525E+03 0.10856250E+05 7.622689 6.682249 0.870243 2.351642 0.997474 26.327508 67.465496 0.739379 0.357452 -1.142714 0.025757 0.013636 0.003573 0.029362 -0.005123 0.015249 -0.010452 0.025546 -0.304621 -0.103636 0.037372 0.066264 8.109951 11.225598 3.150458 -0.384978 7.123022 -0.397134 5.981235 -0.003877 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 2.184406 The total net atomic charge of the unit cell is 0.000003 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= 14229 The rms potential error without charges in kcal/mol is= 4.17525 The rms potential error with partial charges in kcal/mol is= 1.14117 The RRMSE value at monopole order= 0.27332 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.13514 The RRMSE value at monopole order with cloud penetration is= 0.27187 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.92537 The RRMSE value at dipole order= 0.22163 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.92788 The RRMSE value at dipole order with cloud penetration= 0.22223 ****************************************************** 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.