Zn2+ CORE VALENCE 3d POPULATION 18.000000000 10.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 28.000000000 18.000000000 1.000000000 0.05 27.731346953 17.906467439 0.982487951 0.10 26.957677045 17.631614309 0.932606274 0.15 25.766122120 17.191956009 0.857416611 0.20 24.274804218 16.612773328 0.766203089 0.25 22.606525779 15.925220908 0.668130487 0.30 20.869568230 15.163082725 0.570648550 0.35 19.148620473 14.359696710 0.478892376 0.40 17.503701536 13.545445212 0.395825632 0.45 15.973357535 12.746026566 0.322733097 0.50 14.579212195 11.981545049 0.259766715 0.55 13.330322792 11.266322431 0.206400036 0.60 12.226796687 10.609259082 0.161753760 0.65 11.262621228 10.014551196 0.124807003 0.70 10.427827349 9.482587340 0.094524001 0.75 9.710126086 9.010884604 0.069924148 0.80 9.096131714 8.594967595 0.050116412 0.85 8.572257167 8.229133080 0.034312409 0.90 8.125347551 7.907074643 0.021827291 0.95 7.743104808 7.622364073 0.012074073 1.00 7.414348169 7.368800269 0.004554790 1.05 7.129148443 7.140643907 -0.001149546 1.10 6.878868403 6.932758882 -0.005389048 1.15 6.656136099 6.740681282 -0.008454518 1.20 6.454772842 6.560634654 -0.010586181 1.25 6.269692990 6.389507551 -0.011981456 1.30 6.096788614 6.224806298 -0.012801768 1.35 5.932808681 6.064593108 -0.013178443 1.40 5.775239592 5.907417119 -0.013217753 1.45 5.622191657 5.752243837 -0.013005218 1.50 5.472294375 5.598386731 -0.012609236 1.55 5.324602080 5.445443426 -0.012084135 1.60 5.178510577 5.293237903 -0.011472733 1.65 5.033684726 5.141769405 -0.010808468 1.70 4.889996499 4.991168194 -0.010117169 1.75 4.747472755 4.841657977 -0.009418522 1.80 4.606251826 4.693524578 -0.008727275 1.85 4.466547944 4.547090290 -0.008054235 1.90 4.328622533 4.402693300 -0.007407077 1.95 4.192761435 4.260671556 -0.006791012 2.00 4.059257185 4.121350433 -0.006209325 2.05 3.928395559 3.985033650 -0.005663809 2.10 3.800445651 3.851996879 -0.005155123 2.15 3.675652885 3.722483570 -0.004683068 2.20 3.554234387 3.596702591 -0.004246820 2.25 3.436376261 3.474827286 -0.003845103 2.30 3.322232358 3.356995663 -0.003476331 2.35 3.211924215 3.243311425 -0.003138721 2.40 3.105541862 3.133845637 -0.002830378 2.45 3.003145280 3.028638833 -0.002549355 2.50 2.904766314 2.927703419 -0.002293710 2.55 2.810410880 2.831026245 -0.002061536 2.60 2.720061355 2.738571252 -0.001850990 2.65 2.633679043 2.650282124 -0.001660308 2.70 2.551206649 2.566084872 -0.001487822 2.75 2.472570696 2.485890327 -0.001331963 2.80 2.397683850 2.409596494 -0.001191264 2.85 2.326447120 2.337090754 -0.001064363 2.90 2.258751912 2.268251908 -0.000950000 2.95 2.194481931 2.202952038 -0.000847011 3.00 2.133514910 2.141058203 -0.000754329 3.05 2.075724190 2.082433964 -0.000670977 3.10 2.020980122 2.026940736 -0.000596061 3.15 1.969151329 1.974438995 -0.000528767 3.20 1.920105806 1.924789320 -0.000468351 3.25 1.873711890 1.877853310 -0.000414142 3.30 1.829839091 1.833494363 -0.000365527 3.35 1.788358807 1.791578340 -0.000321953 3.40 1.749144928 1.751974117 -0.000282919 3.45 1.712074338 1.714554046 -0.000247971 3.50 1.677027323 1.679194319 -0.000216700 3.55 1.643887904 1.645775261 -0.000188736 3.60 1.612544091 1.614181548 -0.000163746 3.65 1.582888075 1.584302364 -0.000141429 3.70 1.554816363 1.556031505 -0.000121514 3.75 1.528229858 1.529267438 -0.000103758 3.80 1.503033907 1.503913309 -0.000087940 3.85 1.479138301 1.479876933 -0.000073863 3.90 1.456457246 1.457070735 -0.000061349 3.95 1.434909312 1.435411683 -0.000050237 4.00 1.414417352 1.414821189 -0.000040384 4.05 1.394908406 1.395224999 -0.000031659 4.10 1.376313593 1.376553064 -0.000023947 4.15 1.358567982 1.358739407 -0.000017142 4.20 1.341610467 1.341721979 -0.000011151 4.25 1.325383619 1.325442503 -0.000005888 4.30 1.309833548 1.309846328 -0.000001278 4.35 1.294909750 1.294882267 0.000002748 4.40 1.280564963 1.280502440 0.000006252 4.45 1.266755014 1.266662122 0.000009289 4.50 1.253438672 1.253319583 0.000011909 4.55 1.240577499 1.240435940 0.000014156 4.60 1.228135708 1.227975004 0.000016070 4.65 1.216080021 1.215903137 0.000017688 4.70 1.204379535 1.204189109 0.000019043 4.75 1.193005582 1.192803962 0.000020162 4.80 1.181931607 1.181720879 0.000021073 4.85 1.171133039 1.170915055 0.000021798 4.90 1.160587177 1.160363577 0.000022360 4.95 1.150273071 1.150045305 0.000022777 5.00 1.140171418 1.139940765 0.000023065 5.05 1.130264449 1.130032038 0.000023241 5.10 1.120535840 1.120302662 0.000023318 5.15 1.110970612 1.110737534 0.000023308 5.20 1.101555043 1.101322823 0.000023222 5.25 1.092276581 1.092045878 0.000023070 5.30 1.083123766 1.082895151 0.000022862 5.35 1.074086154 1.073860119 0.000022604 5.40 1.065154244 1.064931210 0.000022303 5.45 1.056319412 1.056099738 0.000021967 5.50 1.047573846 1.047357834 0.000021601 5.55 1.038910489 1.038698389 0.000021210 5.60 1.030322976 1.030114998 0.000020798 5.65 1.021805592 1.021601902 0.000020369 5.70 1.013353212 1.013153943 0.000019927 5.75 1.004961264 1.004766515 0.000019475 5.80 0.996625676 0.996435522 0.000019015 5.85 0.988342846 0.988157334 0.000018551 5.90 0.980109594 0.979928752 0.000018084 5.95 0.971923134 0.971746971 0.000017616 6.00 0.963781039 0.963609547 0.000017149 6.05 0.955681211 0.955514366 0.000016684 6.10 0.947621849 0.947459616 0.000016223 6.15 0.939601427 0.939443758 0.000015767 6.20 0.931618664 0.931465506 0.000015316 6.25 0.923672509 0.923523797 0.000014871 6.30 0.915762113 0.915617776 0.000014434 6.35 0.907886811 0.907746774 0.000014004 6.40 0.900046106 0.899910286 0.000013582 6.45 0.892239647 0.892107960 0.000013169 6.50 0.884467220 0.884339578 0.000012764 6.55 0.876728729 0.876605042 0.000012369 6.60 0.869024185 0.868904360 0.000011983 6.65 0.861353691 0.861237635 0.000011606 6.70 0.853717435 0.853605052 0.000011238 6.75 0.846115674 0.846006871 0.000010880 6.80 0.838548731 0.838443412 0.000010532 6.85 0.831016980 0.830915051 0.000010193 6.90 0.823520843 0.823422209 0.000009863 6.95 0.816060779 0.815965347 0.000009543 7.00 0.808637280 0.808544959 0.000009232 7.05 0.801250864 0.801161562 0.000008930 7.10 0.793902067 0.793815695 0.000008637 7.15 0.786591443 0.786507912 0.000008353 7.20 0.779319554 0.779238778 0.000008078 7.25 0.772086971 0.772008864 0.000007811 7.30 0.764894266 0.764818745 0.000007552 7.35 0.757742010 0.757668995 0.000007301 7.40 0.750630772 0.750560183 0.000007059 7.45 0.743561112 0.743492873 0.000006824 7.50 0.736533585 0.736467619 0.000006597 7.55 0.729548732 0.729484964 0.000006377 7.60 0.722607081 0.722545441 0.000006164 7.65 0.715709148 0.715649565 0.000005958 7.70 0.708855431 0.708797838 0.000005759 7.75 0.702046413 0.701990743 0.000005567 7.80 0.695282555 0.695228746 0.000005381 7.85 0.688564303 0.688512292 0.000005201 7.90 0.681892080 0.681841806 0.000005027 7.95 0.675266290 0.675217695 0.000004859 8.00 0.668687317 0.668640344 0.000004697 8.05 0.662155520 0.662110115 0.000004541 8.10 0.655671242 0.655627350 0.000004389 8.15 0.649234798 0.649192369 0.000004243 8.20 0.642846485 0.642805470 0.000004102 8.25 0.636506578 0.636466928 0.000003965 8.30 0.630215327 0.630176995 0.000003833 8.35 0.623972963 0.623935904 0.000003706 8.40 0.617779696 0.617743865 0.000003583 8.45 0.611635711 0.611601067 0.000003464 8.50 0.605541175 0.605507677 0.000003350 8.55 0.599496234 0.599463842 0.000003239 8.60 0.593501011 0.593469689 0.000003132 8.65 0.587555612 0.587525323 0.000003029 8.70 0.581660121 0.581630829 0.000002929 8.75 0.575814602 0.575786273 0.000002833 8.80 0.570019106 0.569991704 0.000002740 8.85 0.564273655 0.564247150 0.000002650 8.90 0.558578262 0.558552624 0.000002564 8.95 0.552932922 0.552908119 0.000002480 9.00 0.547337606 0.547313611 0.000002399 9.05 0.541792276 0.541769062 0.000002321 9.10 0.536296875 0.536274413 0.000002246 9.15 0.530851326 0.530829594 0.000002173 9.20 0.525455548 0.525434518 0.000002103 9.25 0.520109436 0.520089082 0.000002035 9.30 0.514812869 0.514793172 0.000001970 9.35 0.509565726 0.509546660 0.000001907 9.40 0.504367861 0.504349403 0.000001846 9.45 0.499219111 0.499201248 0.000001786 9.50 0.494119323 0.494102028 0.000001729 9.55 0.489068310 0.489051565 0.000001675 9.60 0.484065876 0.484049668 0.000001621 9.65 0.479111835 0.479096138 0.000001570 9.70 0.474205968 0.474190765 0.000001520 9.75 0.469348045 0.469333328 0.000001472 9.80 0.464537856 0.464523598 0.000001426 9.85 0.459775155 0.459761339 0.000001382 9.90 0.455059678 0.455046303 0.000001338 9.95 0.450391195 0.450378236 0.000001296 10.00 0.445769440 0.445756876 0.000001256