Fe2+ CORE VALENCE 3d POPULATION 18.000000000 6.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 24.000000000 18.000000000 1.000000000 0.05 23.713427601 17.865816488 0.974601852 0.10 22.896545937 17.475008998 0.903589490 0.15 21.662431779 16.860749341 0.800280406 0.20 20.158076082 16.072052958 0.681003854 0.25 18.527538040 15.166180010 0.560226338 0.30 16.888760904 14.200866367 0.447982423 0.35 15.325840108 13.227928956 0.349651859 0.40 13.891276910 12.289108444 0.267028078 0.45 12.612268244 11.414283510 0.199664122 0.50 11.497473169 10.621659475 0.145968949 0.55 10.542853476 9.919284725 0.103928125 0.60 9.736301934 9.307238275 0.071510610 0.65 9.061158996 8.779963457 0.046865923 0.70 8.498795330 8.328402330 0.028398833 0.75 8.030428663 7.941751423 0.014779540 0.80 7.638325041 7.608783676 0.004923561 0.85 7.306519276 7.318759735 -0.002040077 0.90 7.021174500 7.061991883 -0.006802897 0.95 6.770683927 6.830137392 -0.009908911 1.00 6.545599642 6.616295690 -0.011782675 1.05 6.338454874 6.414973267 -0.012753065 1.10 6.143529355 6.221967171 -0.013072969 1.15 5.956592976 6.034205003 -0.012935338 1.20 5.774651289 5.849568163 -0.012486146 1.25 5.595707534 5.666716081 -0.011834758 1.30 5.418549322 5.484922357 -0.011062173 1.35 5.242563538 5.303928774 -0.010227539 1.40 5.067580004 5.123819715 -0.009373285 1.45 4.893742521 4.944917297 -0.008529129 1.50 4.721404836 4.767696105 -0.007715211 1.55 4.551048550 4.592715668 -0.006944520 1.60 4.383219860 4.420568432 -0.006224762 1.65 4.218482102 4.251840935 -0.005559805 1.70 4.057381301 4.087085932 -0.004950772 1.75 3.900422235 3.926803455 -0.004396870 1.80 3.748052851 3.771428963 -0.003896019 1.85 3.600655178 3.621327057 -0.003445313 1.90 3.458541202 3.476789398 -0.003041366 1.95 3.321952433 3.338035766 -0.002680556 2.00 3.191062129 3.205217344 -0.002359202 2.05 3.065979370 3.078421517 -0.002073691 2.10 2.946754310 2.957677629 -0.001820553 2.15 2.833384140 2.842963239 -0.001596517 2.20 2.725819348 2.734210576 -0.001398538 2.25 2.623970023 2.631312910 -0.001223815 2.30 2.527711978 2.534130702 -0.001069787 2.35 2.436892561 2.442497375 -0.000934136 2.40 2.351336065 2.356224666 -0.000814767 2.45 2.270848669 2.275107484 -0.000709802 2.50 2.195222900 2.198928278 -0.000617563 2.55 2.124241597 2.127460908 -0.000536552 2.60 2.057681396 2.060474026 -0.000465438 2.65 1.995315757 1.997734016 -0.000403043 2.70 1.936917557 1.939007489 -0.000348322 2.75 1.882261284 1.884063397 -0.000300352 2.80 1.831124866 1.832674785 -0.000258320 2.85 1.783291177 1.784620219 -0.000221507 2.90 1.738549245 1.739684936 -0.000189282 2.95 1.696695199 1.697661728 -0.000161088 3.00 1.657532998 1.658351616 -0.000136436 3.05 1.620874953 1.621564331 -0.000114896 3.10 1.586542082 1.587118622 -0.000096090 3.15 1.554364320 1.554842432 -0.000079685 3.20 1.524180612 1.524572950 -0.000065390 3.25 1.495838892 1.496156573 -0.000052947 3.30 1.469195985 1.469448774 -0.000042131 3.35 1.444117443 1.444313915 -0.000032745 3.40 1.420477315 1.420625000 -0.000024614 3.45 1.398157886 1.398263395 -0.000017585 3.50 1.377049372 1.377118511 -0.000011523 3.55 1.357049600 1.357087462 -0.000006310 3.60 1.338063665 1.338074721 -0.000001843 3.65 1.320003582 1.319991752 0.000001972 3.70 1.302787928 1.302756648 0.000005213 3.75 1.286341486 1.286293767 0.000007953 3.80 1.270594891 1.270533370 0.000010254 3.85 1.255484290 1.255411271 0.000012170 3.90 1.240950992 1.240868492 0.000013750 3.95 1.226941149 1.226850926 0.000015037 4.00 1.213405434 1.213309024 0.000016068 4.05 1.200298742 1.200197480 0.000016877 4.10 1.187579893 1.187474939 0.000017492 4.15 1.175211359 1.175103719 0.000017940 4.20 1.163158999 1.163049545 0.000018242 4.25 1.151391813 1.151281296 0.000018420 4.30 1.139881703 1.139770768 0.000018489 4.35 1.128603250 1.128492452 0.000018466 4.40 1.117533513 1.117423323 0.000018365 4.45 1.106651826 1.106542646 0.000018197 4.50 1.095939620 1.095831787 0.000017972 4.55 1.085380250 1.085274047 0.000017701 4.60 1.074958834 1.074854495 0.000017390 4.65 1.064662108 1.064559826 0.000017047 4.70 1.054478287 1.054378217 0.000016678 4.75 1.044396934 1.044299198 0.000016289 4.80 1.034408844 1.034313537 0.000015884 4.85 1.024505932 1.024413124 0.000015468 4.90 1.014681131 1.014590872 0.000015043 4.95 1.004928302 1.004840621 0.000014613 5.00 0.995242138 0.995157050 0.000014181 5.05 0.985618092 0.985535598 0.000013749 5.10 0.976052300 0.975972389 0.000013318 5.15 0.966541513 0.966464165 0.000012891 5.20 0.957083034 0.957008219 0.000012469 5.25 0.947674664 0.947602345 0.000012053 5.30 0.938314642 0.938244778 0.000011644 5.35 0.929001604 0.928934148 0.000011243 5.40 0.919734539 0.919669439 0.000010850 5.45 0.910512742 0.910449944 0.000010466 5.50 0.901335784 0.901275232 0.000010092 5.55 0.892203474 0.892145109 0.000009728 5.60 0.883115833 0.883059594 0.000009373 5.65 0.874073059 0.874018887 0.000009029 5.70 0.865075513 0.865023346 0.000008694 5.75 0.856123683 0.856073461 0.000008370 5.80 0.847218176 0.847169835 0.000008057 5.85 0.838359687 0.838313168 0.000007753 5.90 0.829548992 0.829504235 0.000007460 5.95 0.820786929 0.820743874 0.000007176 6.00 0.812074385 0.812032973 0.000006902 6.05 0.803412282 0.803372456 0.000006638 6.10 0.794801567 0.794763272 0.000006382 6.15 0.786243205 0.786206385 0.000006137 6.20 0.777738165 0.777702767 0.000005900 6.25 0.769287418 0.769253389 0.000005671 6.30 0.760891927 0.760859217 0.000005452 6.35 0.752552642 0.752521201 0.000005240 6.40 0.744270493 0.744240275 0.000005036 6.45 0.736046389 0.736017346 0.000004841 6.50 0.727881210 0.727853297 0.000004652 6.55 0.719775808 0.719748982 0.000004471 6.60 0.711731001 0.711705219 0.000004297 6.65 0.703747573 0.703722795 0.000004130 6.70 0.695826268 0.695802456 0.000003969 6.75 0.687967795 0.687944910 0.000003814 6.80 0.680172819 0.680150825 0.000003666 6.85 0.672441967 0.672420828 0.000003523 6.90 0.664775823 0.664755506 0.000003386 6.95 0.657174931 0.657155402 0.000003255 7.00 0.649639791 0.649621020 0.000003128 7.05 0.642170862 0.642152820 0.000003007 7.10 0.634768561 0.634751217 0.000002891 7.15 0.627433261 0.627416589 0.000002779 7.20 0.620165298 0.620149269 0.000002672 7.25 0.612964964 0.612949552 0.000002569 7.30 0.605832514 0.605817695 0.000002470 7.35 0.598768162 0.598753913 0.000002375 7.40 0.591772086 0.591758383 0.000002284 7.45 0.584844422 0.584831245 0.000002196 7.50 0.577985276 0.577972602 0.000002112 7.55 0.571194712 0.571182522 0.000002032 7.60 0.564472765 0.564461039 0.000001954 7.65 0.557819435 0.557808154 0.000001880 7.70 0.551234689 0.551223835 0.000001809 7.75 0.544718464 0.544708020 0.000001741 7.80 0.538270667 0.538260618 0.000001675 7.85 0.531891175 0.531881505 0.000001612 7.90 0.525579838 0.525570532 0.000001551 7.95 0.519336479 0.519327522 0.000001493 8.00 0.513160898 0.513152274 0.000001437 8.05 0.507052865 0.507044562 0.000001384 8.10 0.501012133 0.501004139 0.000001332 8.15 0.495038431 0.495030732 0.000001283 8.20 0.489131460 0.489124048 0.000001235 8.25 0.483290914 0.483283774 0.000001190 8.30 0.477516453 0.477509577 0.000001146 8.35 0.471807729 0.471801107 0.000001104 8.40 0.466164378 0.466157994 0.000001064 8.45 0.460586004 0.460579856 0.000001025 8.50 0.455072219 0.455066293 0.000000988 8.55 0.449622604 0.449616891 0.000000952 8.60 0.444236724 0.444231222 0.000000917 8.65 0.438914154 0.438908847 0.000000885 8.70 0.433654426 0.433649311 0.000000852 8.75 0.428457077 0.428452150 0.000000821 8.80 0.423321649 0.423316891 0.000000793 8.85 0.418247633 0.418243049 0.000000764 8.90 0.413234551 0.413230131 0.000000737 8.95 0.408281908 0.408277636 0.000000712 9.00 0.403389169 0.403385056 0.000000686 9.05 0.398555843 0.398551875 0.000000661 9.10 0.393781408 0.393777570 0.000000640 9.15 0.389065305 0.389061614 0.000000615 9.20 0.384407038 0.384403472 0.000000594 9.25 0.379806060 0.379802607 0.000000575 9.30 0.375261793 0.375258477 0.000000553 9.35 0.370773745 0.370770535 0.000000535 9.40 0.366341344 0.366338233 0.000000519 9.45 0.361964003 0.361961020 0.000000497 9.50 0.357641233 0.357638343 0.000000482 9.55 0.353372451 0.353369645 0.000000468 9.60 0.349157052 0.349154369 0.000000447 9.65 0.344994561 0.344991959 0.000000434 9.70 0.340884390 0.340881854 0.000000423 9.75 0.336825913 0.336823496 0.000000403 9.80 0.332818670 0.332816326 0.000000391 9.85 0.328862084 0.328859785 0.000000383 9.90 0.324955498 0.324953315 0.000000364 9.95 0.321098467 0.321096359 0.000000351 10.00 0.317290448 0.317288362 0.000000348 ------------------------------------------------------ Fe3+ CORE VALENCE 3d POPULATION 18.000000000 5.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 23.000000000 18.000000000 1.000000000 0.05 22.765035631 17.869604399 0.979086247 0.10 22.087224155 17.489259075 0.919593016 0.15 21.040923816 16.889720079 0.830240748 0.20 19.730180680 16.116813372 0.722673462 0.25 18.267583599 15.224721777 0.608572364 0.30 16.756467368 14.268926263 0.497508221 0.35 15.280055188 13.300155885 0.395979861 0.40 13.897567265 12.360197513 0.307473951 0.45 12.645318865 11.479817900 0.233100193 0.50 11.540485182 10.678561374 0.172384762 0.55 10.585753822 9.965907831 0.123969198 0.60 9.773806209 9.343205729 0.086120096 0.65 9.091129615 8.805870384 0.057051846 0.70 8.521004941 8.345482275 0.035104533 0.75 8.045695375 7.951572319 0.018824611 0.80 7.647942264 7.613006545 0.006987144 0.85 7.311901739 7.318968980 -0.001413448 0.90 7.023654949 7.059591241 -0.007187258 0.95 6.771410361 6.826298624 -0.010977653 1.00 6.545496551 6.611945440 -0.013289778 1.05 6.338222846 6.410804854 -0.014516402 1.10 6.143665705 6.218466688 -0.014960197 1.15 5.957422090 6.031683947 -0.014852371 1.20 5.776357670 5.848197357 -0.014367937 1.25 5.598367500 5.666557685 -0.013638037 1.30 5.422159221 5.485958231 -0.012759802 1.35 5.247063638 5.306084466 -0.011804166 1.40 5.072873918 5.126984016 -0.010822020 1.45 4.899712471 4.948957647 -0.009849035 1.50 4.727923255 4.772470349 -0.008909419 1.55 4.557986606 4.598080718 -0.008018822 1.60 4.390453449 4.426386394 -0.007186589 1.65 4.225895842 4.257983208 -0.006417473 1.70 4.064870971 4.093435734 -0.005712953 1.75 3.907896046 3.933257146 -0.005072220 1.80 3.755431852 3.777896494 -0.004492928 1.85 3.607873049 3.627731774 -0.003971745 1.90 3.465543634 3.483067426 -0.003504759 1.95 3.328696234 3.344135104 -0.003087774 2.00 3.197514190 3.211096799 -0.002716522 2.05 3.072115546 3.084049565 -0.002386804 2.10 2.952558308 2.963031253 -0.002094589 2.15 2.838846429 2.848026813 -0.001836077 2.20 2.730936137 2.738974789 -0.001607730 2.25 2.628742314 2.635773784 -0.001406294 2.30 2.532144708 2.538288687 -0.001228796 2.35 2.440993835 2.446356545 -0.001072542 2.40 2.355116478 2.359792000 -0.000935104 2.45 2.274320718 2.278392239 -0.000814304 2.50 2.198400473 2.201941445 -0.000708195 2.55 2.127139541 2.130214745 -0.000615041 2.60 2.060315153 2.062981667 -0.000533303 2.65 1.997701060 2.000009133 -0.000461615 2.70 1.939070176 1.941064020 -0.000398769 2.75 1.884196827 1.885915321 -0.000343699 2.80 1.832858619 1.834335937 -0.000295463 2.85 1.784837977 1.786104147 -0.000253234 2.90 1.739923382 1.741004787 -0.000216281 2.95 1.697910353 1.698830166 -0.000183962 3.00 1.658602186 1.659380758 -0.000155714 3.05 1.621810499 1.622465702 -0.000131041 3.10 1.587355604 1.587903134 -0.000109506 3.15 1.555066729 1.555520366 -0.000090727 3.20 1.524782111 1.525153957 -0.000074369 3.25 1.496348997 1.496649677 -0.000060136 3.30 1.469623542 1.469862386 -0.000047769 3.35 1.444470652 1.444655850 -0.000037040 3.40 1.420763758 1.420902501 -0.000027749 3.45 1.398384556 1.398483155 -0.000019720 3.50 1.377222704 1.377286698 -0.000012799 3.55 1.357175504 1.357209753 -0.000006850 3.60 1.338147555 1.338156323 -0.000001753 3.65 1.320050410 1.320037433 0.000002595 3.70 1.302802212 1.302770767 0.000006289 3.75 1.286327342 1.286280297 0.000009409 3.80 1.270556062 1.270495929 0.000012027 3.85 1.255424170 1.255353144 0.000014205 3.90 1.240872656 1.240792658 0.000016000 3.95 1.226847376 1.226760080 0.000017459 4.00 1.213298732 1.213205598 0.000018627 4.05 1.200181367 1.200083665 0.000019540 4.10 1.187453871 1.187352705 0.000020233 4.15 1.175078506 1.174974833 0.000020735 4.20 1.163020939 1.162915587 0.000021070 4.25 1.151249993 1.151143675 0.000021264 4.30 1.139737408 1.139630737 0.000021334 4.35 1.128457621 1.128351124 0.000021299 4.40 1.117387556 1.117281680 0.000021175 4.45 1.106506426 1.106401552 0.000020975 4.50 1.095795553 1.095692000 0.000020711 4.55 1.085238191 1.085136227 0.000020393 4.60 1.074819369 1.074719216 0.000020031 4.65 1.064525741 1.064427581 0.000019632 4.70 1.054345449 1.054249427 0.000019204 4.75 1.044267988 1.044174221 0.000018753 4.80 1.034284095 1.034192671 0.000018285 4.85 1.024385631 1.024296615 0.000017803 4.90 1.014565481 1.014478920 0.000017312 4.95 1.004817462 1.004733382 0.000016816 5.00 0.995136231 0.995054645 0.000016317 5.05 0.985517205 0.985438113 0.000015819 5.10 0.975956490 0.975879880 0.000015322 5.15 0.966450809 0.966376662 0.000014829 5.20 0.956997444 0.956925730 0.000014343 5.25 0.947594172 0.947524855 0.000013863 5.30 0.938239216 0.938172255 0.000013392 5.35 0.928931196 0.928866546 0.000012930 5.40 0.919669084 0.919606696 0.000012478 5.45 0.910452166 0.910391987 0.000012036 5.50 0.901280001 0.901221976 0.000011605 5.55 0.892152392 0.892096464 0.000011186 5.60 0.883069348 0.883015460 0.000010778 5.65 0.874031065 0.873979159 0.000010381 5.70 0.865037896 0.864987913 0.000009997 5.75 0.856090328 0.856042209 0.000009624 5.80 0.847188962 0.847142647 0.000009263 5.85 0.838334493 0.838289924 0.000008914 5.90 0.829527693 0.829484813 0.000008576 5.95 0.820769401 0.820728153 0.000008250 6.00 0.812060502 0.812020829 0.000007935 6.05 0.803401919 0.803363767 0.000007630 6.10 0.794794601 0.794757915 0.000007337 6.15 0.786239511 0.786204238 0.000007055 6.20 0.777737620 0.777703710 0.000006782 6.25 0.769289902 0.769257304 0.000006520 6.30 0.760897320 0.760865986 0.000006267 6.35 0.752560826 0.752530709 0.000006023 6.40 0.744281355 0.744252408 0.000005789 6.45 0.736059814 0.736031993 0.000005564 6.50 0.727897089 0.727870350 0.000005348 6.55 0.719794031 0.719768334 0.000005139 6.60 0.711751464 0.711726767 0.000004939 6.65 0.703770172 0.703746438 0.000004747 6.70 0.695850905 0.695828095 0.000004562 6.75 0.687994371 0.687972450 0.000004384 6.80 0.680201241 0.680180172 0.000004214 6.85 0.672472142 0.672451893 0.000004050 6.90 0.664807662 0.664788200 0.000003892 6.95 0.657208348 0.657189641 0.000003741 7.00 0.649674702 0.649656722 0.000003596 7.05 0.642207187 0.642189904 0.000003457 7.10 0.634806222 0.634789608 0.000003323 7.15 0.627472183 0.627456211 0.000003194 7.20 0.620205406 0.620190051 0.000003071 7.25 0.613006189 0.612991425 0.000002953 7.30 0.605874787 0.605860592 0.000002839 7.35 0.598811419 0.598797769 0.000002730 7.40 0.591816263 0.591803137 0.000002625 7.45 0.584889460 0.584876837 0.000002525 7.50 0.578031115 0.578018974 0.000002428 7.55 0.571241297 0.571229619 0.000002336 7.60 0.564520041 0.564508807 0.000002247 7.65 0.557867350 0.557856542 0.000002162 7.70 0.551283194 0.551272795 0.000002080 7.75 0.544767511 0.544757505 0.000002001 7.80 0.538320210 0.538310582 0.000001925 7.85 0.531941170 0.531931906 0.000001853 7.90 0.525630243 0.525621327 0.000001783 7.95 0.519387255 0.519378672 0.000001717 8.00 0.513212003 0.513203741 0.000001653 8.05 0.507104265 0.507096310 0.000001591 8.10 0.501063791 0.501056131 0.000001532 8.15 0.495090312 0.495082936 0.000001475 8.20 0.489183535 0.489176433 0.000001420 8.25 0.483343149 0.483336309 0.000001368 8.30 0.477568821 0.477562233 0.000001318 8.35 0.471860202 0.471853855 0.000001269 8.40 0.466216924 0.466210809 0.000001223 8.45 0.460638604 0.460632712 0.000001179 8.50 0.455124844 0.455119165 0.000001136 8.55 0.449675231 0.449669758 0.000001095 8.60 0.444289336 0.444284062 0.000001055 8.65 0.438966722 0.438961638 0.000001017 8.70 0.433706935 0.433702034 0.000000980 8.75 0.428509512 0.428504787 0.000000945 8.80 0.423373979 0.423369423 0.000000911 8.85 0.418299854 0.418295459 0.000000879 8.90 0.413286643 0.413282403 0.000000848 8.95 0.408333846 0.408329756 0.000000818 9.00 0.403440954 0.403437009 0.000000789 9.05 0.398607453 0.398603648 0.000000761 9.10 0.393832822 0.393829150 0.000000734 9.15 0.389116531 0.389112988 0.000000709 9.20 0.384458048 0.384454630 0.000000684 9.25 0.379856837 0.379853537 0.000000660 9.30 0.375312355 0.375309168 0.000000637 9.35 0.370824056 0.370820979 0.000000616 9.40 0.366391393 0.366388420 0.000000594 9.45 0.362013813 0.362010943 0.000000574 9.50 0.357690764 0.357687993 0.000000554 9.55 0.353421692 0.353419015 0.000000535 9.60 0.349206038 0.349203453 0.000000517 9.65 0.345043246 0.345040750 0.000000499 9.70 0.340932759 0.340930346 0.000000483 9.75 0.336874015 0.336871683 0.000000466 9.80 0.332866458 0.332864203 0.000000451 9.85 0.328909528 0.328907348 0.000000436 9.90 0.325002666 0.325000559 0.000000421 9.95 0.321145317 0.321143281 0.000000407 10.00 0.317336928 0.317334957 0.000000394