Nb3+ CORE VALENCE 4d POPULATION 36.000000000 2.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 38.000000000 36.000000000 1.000000000 0.05 37.544449822 35.664613047 0.939918387 0.10 36.266877346 34.705641178 0.780618084 0.15 34.395723478 33.251069738 0.572326870 0.20 32.210544974 31.474941984 0.367801495 0.25 29.959404279 29.555802417 0.201800931 0.30 27.815590931 27.642883960 0.086353485 0.35 25.872716239 25.838187716 0.017264261 0.40 24.160932775 24.194620037 -0.016843631 0.45 22.668933244 22.725086568 -0.028076662 0.50 21.363617919 21.416121706 -0.026251894 0.55 20.204640299 20.241058868 -0.018209285 0.60 19.153668815 19.170086335 -0.008208760 0.65 18.179260205 18.176517073 0.001371566 0.70 17.258556094 17.239776917 0.009389589 0.75 16.376968872 16.346066033 0.015451420 0.80 15.526803875 15.487644475 0.019579700 0.85 14.705491289 14.661484942 0.022003173 0.90 13.913847494 13.867786116 0.023030689 0.95 13.154587100 13.108626373 0.022980364 1.00 12.431170439 12.386884064 0.022143187 1.05 11.746988298 11.705453753 0.020767272 1.10 11.104842259 11.066734440 0.019053909 1.15 10.506661756 10.472341903 0.017159926 1.20 9.953397251 9.922991209 0.015203021 1.25 9.445035289 9.418499020 0.013268135 1.30 8.980690866 8.957863296 0.011413785 1.35 8.558742759 8.539387114 0.009677822 1.40 8.176986817 8.160822063 0.008082377 1.45 7.832790017 7.819514115 0.006637951 1.50 7.523234290 7.512540891 0.005346699 1.55 7.245243803 7.236833790 0.004205007 1.60 6.995692725 6.989281816 0.003205455 1.65 6.771492821 6.766816227 0.002338297 1.70 6.569661735 6.566476652 0.001592542 1.75 6.387373693 6.385460245 0.000956724 1.80 6.221994824 6.221155942 0.000419441 1.85 6.071105466 6.071166048 -0.000030291 1.90 5.932511762 5.933317390 -0.000402814 1.95 5.804248719 5.805664118 -0.000707699 2.00 5.684576658 5.686484040 -0.000953691 2.05 5.571972734 5.574270116 -0.001148691 2.10 5.465118948 5.467718513 -0.001299782 2.15 5.362887825 5.365714363 -0.001413269 2.20 5.264326707 5.267316161 -0.001494727 2.25 5.168641407 5.171739539 -0.001549066 2.30 5.075179810 5.078340985 -0.001580588 2.35 4.983415845 4.986601936 -0.001593046 2.40 4.892934145 4.896113554 -0.001589704 2.45 4.803415608 4.806562391 -0.001573391 2.50 4.714623996 4.717717093 -0.001546549 2.55 4.626393640 4.629416193 -0.001511277 2.60 4.538618293 4.541557045 -0.001469376 2.65 4.451241101 4.454085870 -0.001422384 2.70 4.364245675 4.366988896 -0.001371610 2.75 4.277648208 4.280284529 -0.001318160 2.80 4.191490560 4.194016495 -0.001262968 2.85 4.105834255 4.108247883 -0.001206814 2.90 4.020755309 4.023056008 -0.001150349 2.95 3.936339808 3.938528028 -0.001094110 3.00 3.852680165 3.854757235 -0.001038535 3.05 3.769871988 3.771839945 -0.000983978 3.10 3.688011482 3.689872929 -0.000930724 3.15 3.607193330 3.608951313 -0.000878992 3.20 3.527508992 3.529166892 -0.000828950 3.25 3.449045359 3.450606805 -0.000780723 3.30 3.371883727 3.373352523 -0.000734398 3.35 3.296099044 3.297479098 -0.000690027 3.40 3.221759371 3.223054651 -0.000647640 3.45 3.148925556 3.150140042 -0.000607243 3.50 3.077651062 3.078788708 -0.000568823 3.55 3.007981923 3.009046631 -0.000532354 3.60 2.939956825 2.940952421 -0.000497798 3.65 2.873607272 2.874537484 -0.000465106 3.70 2.808957817 2.809826262 -0.000434223 3.75 2.746026352 2.746836527 -0.000405088 3.80 2.684824446 2.685579720 -0.000377637 3.85 2.625357710 2.626061313 -0.000351802 3.90 2.567626174 2.568281199 -0.000327513 3.95 2.511624686 2.512234087 -0.000304701 4.00 2.457343316 2.457909907 -0.000283296 4.05 2.404767756 2.405294212 -0.000263228 4.10 2.353879713 2.354368571 -0.000244429 4.15 2.304657296 2.305110959 -0.000226832 4.20 2.257075391 2.257496135 -0.000210372 4.25 2.211106026 2.211495998 -0.000194986 4.30 2.166718707 2.167079932 -0.000180612 4.35 2.123880749 2.124215135 -0.000167193 4.40 2.082557585 2.082866929 -0.000154672 4.45 2.042713056 2.042999046 -0.000142995 4.50 2.004309682 2.004573904 -0.000132111 4.55 1.967308912 1.967552855 -0.000121972 4.60 1.931671360 1.931896419 -0.000112530 4.65 1.897357023 1.897564506 -0.000103742 4.70 1.864325477 1.864516609 -0.000095566 4.75 1.832536055 1.832711982 -0.000087963 4.80 1.801948017 1.802109809 -0.000080896 4.85 1.772520693 1.772669353 -0.000074330 4.90 1.744213628 1.744350090 -0.000068231 4.95 1.716986693 1.717111832 -0.000062569 5.00 1.690800194 1.690914825 -0.000057315 5.05 1.665614969 1.665719852 -0.000052441 5.10 1.641392472 1.641488315 -0.000047921 5.15 1.618094845 1.618182309 -0.000043732 5.20 1.595684983 1.595764684 -0.000039851 5.25 1.574126583 1.574199095 -0.000036256 5.30 1.553384191 1.553450048 -0.000032929 5.35 1.533423241 1.533482939 -0.000029849 5.40 1.514210087 1.514264088 -0.000027000 5.45 1.495712024 1.495760758 -0.000024367 5.50 1.477897305 1.477941174 -0.000021934 5.55 1.460735155 1.460774529 -0.000019687 5.60 1.444195774 1.444230999 -0.000017612 5.65 1.428250350 1.428281746 -0.000015698 5.70 1.412871052 1.412898916 -0.000013932 5.75 1.398031024 1.398055636 -0.000012306 5.80 1.383704382 1.383725999 -0.000010809 5.85 1.369866197 1.369885058 -0.000009430 5.90 1.356492492 1.356508816 -0.000008162 5.95 1.343560218 1.343574210 -0.000006996 6.00 1.331047246 1.331059098 -0.000005926 6.05 1.318932344 1.318942234 -0.000004945 6.10 1.307195158 1.307203249 -0.000004046 6.15 1.295816188 1.295822633 -0.000003223 6.20 1.284776773 1.284781711 -0.000002469 6.25 1.274059068 1.274062628 -0.000001780 6.30 1.263646016 1.263648320 -0.000001152 6.35 1.253521333 1.253522493 -0.000000580 6.40 1.243669478 1.243669598 -0.000000060 6.45 1.234075629 1.234074805 0.000000412 6.50 1.224725663 1.224723983 0.000000840 6.55 1.215606132 1.215603676 0.000001228 6.60 1.206704239 1.206701082 0.000001578 6.65 1.198007812 1.198004025 0.000001893 6.70 1.189505289 1.189500937 0.000002176 6.75 1.181185684 1.181180828 0.000002428 6.80 1.173038575 1.173033269 0.000002653 6.85 1.165054074 1.165048367 0.000002853 6.90 1.157222809 1.157216748 0.000003030 6.95 1.149535905 1.149529532 0.000003186 7.00 1.141984961 1.141978317 0.000003322 7.05 1.134562032 1.134555154 0.000003439 7.10 1.127259607 1.127252529 0.000003539 7.15 1.120070594 1.120063345 0.000003624 7.20 1.112988294 1.112980903 0.000003696 7.25 1.106006391 1.105998883 0.000003754 7.30 1.099118932 1.099111329 0.000003801 7.35 1.092320307 1.092312633 0.000003837 7.40 1.085605243 1.085597516 0.000003863 7.45 1.078968776 1.078961017 0.000003879 7.50 1.072406251 1.072398474 0.000003888 7.55 1.065913285 1.065905508 0.000003889 7.60 1.059485779 1.059478012 0.000003883 7.65 1.053119882 1.053112137 0.000003873 7.70 1.046811988 1.046804280 0.000003854 7.75 1.040558737 1.040551070 0.000003834 7.80 1.034356970 1.034349360 0.000003805 7.85 1.028203762 1.028196213 0.000003775 7.90 1.022096373 1.022088891 0.000003741 7.95 1.016032244 1.016024843 0.000003700 8.00 1.010009021 1.010001695 0.000003663 8.05 1.004024477 1.004017242 0.000003617 8.10 0.998076581 0.998069437 0.000003572 8.15 0.992163442 0.992156387 0.000003528 8.20 0.986283289 0.986276342 0.000003473 8.25 0.980434544 0.980427689 0.000003428 8.30 0.974615688 0.974608940 0.000003374 8.35 0.968825363 0.968818728 0.000003317 8.40 0.963062338 0.963055795 0.000003271 8.45 0.957325408 0.957318989 0.000003209 8.50 0.951613571 0.951607258 0.000003157 8.55 0.945925859 0.945919644 0.000003107 8.60 0.940261360 0.940255280 0.000003040 8.65 0.934619371 0.934613382 0.000002995 8.70 0.928999123 0.928993245 0.000002939 8.75 0.923399979 0.923394237 0.000002871 8.80 0.917821457 0.917815791 0.000002833 8.85 0.912262941 0.912257404 0.000002768 8.90 0.906724039 0.906718630 0.000002704 8.95 0.901204423 0.901199078 0.000002672 9.00 0.895703610 0.895698411 0.000002600 9.05 0.890221428 0.890216342 0.000002543 9.10 0.884757663 0.884752629 0.000002517 9.15 0.879311947 0.879307076 0.000002436 9.20 0.873884295 0.873879520 0.000002387 9.25 0.868474568 0.868469835 0.000002366 9.30 0.863082478 0.863077926 0.000002276 9.35 0.857708198 0.857703727 0.000002235 9.40 0.852351644 0.852347199 0.000002222 9.45 0.847012579 0.847008331 0.000002124 9.50 0.841691315 0.841687138 0.000002089 9.55 0.836387832 0.836383655 0.000002088 9.60 0.831101901 0.831097940 0.000001981 9.65 0.825833958 0.825830068 0.000001945 9.70 0.820584058 0.820580130 0.000001964 9.75 0.815351923 0.815348228 0.000001848 9.80 0.810138076 0.810134477 0.000001799 9.85 0.804942695 0.804939004 0.000001846 9.90 0.799765402 0.799761942 0.000001730 9.95 0.794606748 0.794603441 0.000001654 10.00 0.789467118 0.789463655 0.000001731 ----------------------------------------------------- Nb5+ CORE VALENCE POPULATION 36.000000000 0.000000000 sinth/l J0 TOT 0.00 35.999999999 0.05 35.683920860 0.10 34.775357407 0.15 33.383396825 0.20 31.660477671 0.25 29.769506022 0.30 27.854523136 0.35 26.022073124 0.40 24.335280174 0.45 22.818279026 0.50 21.466521102 0.55 20.258558779 0.60 19.166267853 0.65 18.162098586 0.70 17.223218744 0.75 16.333129065 0.80 15.481572239 0.85 14.663500180 0.90 13.877677550 0.95 13.125292333 1.00 12.408771372 1.05 11.730876986 1.10 11.094086118 1.15 10.500214813 1.20 9.950235987 1.25 9.444237618 1.30 8.981474815 1.35 8.560478245 1.40 8.179190611 1.45 7.835111181 1.50 7.525435061 1.55 7.247179186 1.60 6.997290800 1.65 6.772736899 1.70 6.570574900 1.75 6.388005892 1.80 6.222412420 1.85 6.071383046 1.90 5.932725926 1.95 5.804473545 2.00 5.684880554 2.05 5.572416408 2.10 5.465754258 2.15 5.363757297 2.20 5.265463556 2.25 5.170069915 2.30 5.076915948 2.35 4.985468045 2.40 4.895304159 2.45 4.806099393 2.50 4.717612598 2.55 4.629674037 2.60 4.542174186 2.65 4.455053641 2.70 4.368294119 2.75 4.281910499 2.80 4.195943835 2.85 4.110455289 2.90 4.025520883 2.95 3.941227023 3.00 3.857666697 3.05 3.774936296 3.10 3.693132971 3.15 3.612352472 3.20 3.532687414 3.25 3.454225905 3.30 3.377050492 3.35 3.301237384 3.40 3.226855903 3.45 3.153968137 3.50 3.082628755 3.55 3.012884964 3.60 2.944776572 3.65 2.878336152 3.70 2.813589268 3.75 2.750554770 3.80 2.689245121 3.85 2.629666764 3.90 2.571820502 3.95 2.515701900 4.00 2.461301682 4.05 2.408606141 4.10 2.357597527 4.15 2.308254447 4.20 2.260552233 4.25 2.214463309 4.30 2.169957538 4.35 2.127002550 4.40 2.085564054 4.45 2.045606134 4.50 2.007091515 4.55 1.969981824 4.60 1.934237828 4.65 1.899819645 4.70 1.866686952 4.75 1.834799162 4.80 1.804115593 4.85 1.774595619 4.90 1.746198810 4.95 1.718885050 5.00 1.692614644 5.05 1.667348418 5.10 1.643047804 5.15 1.619674915 5.20 1.597192608 5.25 1.575564534 5.30 1.554755188 5.35 1.534729950 5.40 1.515455114 5.45 1.496897914 5.50 1.479026537 5.55 1.461810140 5.60 1.445218853 5.65 1.429223795 5.70 1.413797063 5.75 1.398911734 5.80 1.384541849 5.85 1.370662408 5.90 1.357249362 5.95 1.344279593 6.00 1.331730906 6.05 1.319582001 6.10 1.307812456 6.15 1.296402706 6.20 1.285334025 6.25 1.274588504 6.30 1.264149031 6.35 1.253999263 6.40 1.244123601 6.45 1.234507166 6.50 1.225135780 6.55 1.215995943 6.60 1.207074808 6.65 1.198360161 6.70 1.189840388 6.75 1.181504462 6.80 1.173341912 6.85 1.165342809 6.90 1.157497741 6.95 1.149797796 7.00 1.142234539 7.05 1.134799988 7.10 1.127486599 7.15 1.120287243 7.20 1.113195191 7.25 1.106204097 7.30 1.099307980 7.35 1.092501206 7.40 1.085778475 7.45 1.079134800 7.50 1.072565495 7.55 1.066066162 7.60 1.059632671 7.65 1.053261156 7.70 1.046947995 7.75 1.040689802 7.80 1.034483411 7.85 1.028325871 7.90 1.022214425 7.95 1.016146509 8.00 1.010119734 8.05 1.004131882 8.10 0.998180895 8.15 0.992264867 8.20 0.986382039 8.25 0.980530785 8.30 0.974709607 8.35 0.968917127 8.40 0.963152079 8.45 0.957413301 8.50 0.951699733 8.55 0.946010410 8.60 0.940344456 8.65 0.934701082 8.70 0.929079575 8.75 0.923479297 8.80 0.917899674 8.85 0.912340197 8.90 0.906800414 8.95 0.901279930 9.00 0.895778402 9.05 0.890295540 9.10 0.884831097 9.15 0.879384871 9.20 0.873956698 9.25 0.868546448 9.30 0.863154021 9.35 0.857779348 9.40 0.852422386 9.45 0.847083122 9.50 0.841761566 9.55 0.836457752 9.60 0.831171737 9.65 0.825903594 9.70 0.820653410 9.75 0.815421286 9.80 0.810207335 9.85 0.805011680 9.90 0.799834454 9.95 0.794675803 10.00 0.789535881