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cp2k/data/nm12_parameters.xml
Ole Schütt bbb8f09eb7 Move DFTB parameters into data/DFTB 
svn-origin-rev: 14419
2014-10-15 14:59:34 +00:00

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<?xml version="1.0"?>
<nm12_parameters><!-- DO NOT HAVE ANY NEWLINE ABOVE THIS, IT CONFUSES THE PARSER GOD KNOWS WHY -->
<Meta_info> <!-- Some common/general info, only part of which is currently read by the code. -->
<Version> 0.2 </Version>
<Author> RK </Author>
<Ref> unpublished </Ref>
<Comment> [04/2013] Exponents for all elements, adjusted D3 scaling, repulsive up to Kr, eta_0 for all </Comment>
</Meta_info>
<General_parameters> <!-- A general placeholder for additional common options/parameters we might need. -->
<D3_s6> 1.000 </D3_s6> <!-- Parameter for scaling of Grimme D3 -->
<D3_sr6> 0.400 </D3_sr6> <!-- Parameter for scaling of Grimme D3 -->
<D3_s8> 0.361 </D3_s8> <!-- Parameter for scaling of Grimme D3 -->
</General_parameters>
<Element name="H">
<Z> 1 </Z>
<Zeff> 1.0000000 </Zeff>
<Energy> -1.2010034 </Energy>
<Charge_width> 0.2363000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.2619947 </Zeta>
<H_core> -0.9914750 </H_core>
<Occ> 1.0000000 </Occ>
<N> 1 </N>
</Electron_shell>
<SCP>
</SCP>
<Repulsive>
<A> 4.9469020 </A>
<C> 5.9827260 </C>
<D> 3.6885400 </D>
</Repulsive>
</Element>
<Element name="He">
<Z> 2 </Z>
<Zeff> 2.0000000 </Zeff>
<Energy> -5.7585440 </Energy>
<Charge_width> 0.5367000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.7025761 </Zeta>
<H_core> -1.9827420 </H_core>
<Occ> 2.0000000 </Occ>
<N> 1 </N>
</Electron_shell>
<SCP>
</SCP>
<Repulsive>
<A> 3.1368200 </A>
<C> 12.1703350 </C>
<D> -36.9956290 </D>
</Repulsive>
</Element>
<Element name="Li">
<Z> 3 </Z>
<Zeff> 3.0000000 </Zeff>
<Energy> -13.7118546 </Energy>
<Charge_width> 0.0830700 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.4079682 </Zeta>
<H_core> -4.6382400 </H_core>
<Occ> 2.0000000 </Occ>
<N> 1 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 0.9966340 </Zeta>
<H_core> -0.1507790 </H_core>
<Occ> 1.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
</SCP>
<Repulsive>
<A> 1.0486530 </A>
<C> 14.3190260 </C>
<D> 0.3587220 </D>
</Repulsive>
</Element>
<Element name="Be">
<Z> 4 </Z>
<Zeff> 4.0000000 </Zeff>
<Energy> -26.8246421 </Energy>
<Charge_width> 0.1832000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.2169987 </Zeta>
<H_core> -8.7723780 </H_core>
<Occ> 2.0000000 </Occ>
<N> 1 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.2942435 </Zeta>
<H_core> -0.4433330 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
</SCP>
<Repulsive>
<A> 0.7357260 </A>
<C> 5.8648780 </C>
<D> -0.1403810 </D>
</Repulsive>
</Element>
<Element name="B">
<Z> 5 </Z>
<Zeff> 3.0000000 </Zeff>
<Energy> -4.2412512 </Energy>
<Charge_width> 0.1452100 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.4398720 </Zeta>
<H_core> -0.7783940 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.5087963 </Zeta>
<H_core> -1.3767810 </H_core>
<Occ> 1.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 2.7212250 </A>
<C> 6.1382090 </C>
<D> 37.3760680 </D>
</Repulsive>
</Element>
<Element name="C">
<Z> 6 </Z>
<Zeff> 4.0000000 </Zeff>
<Energy> -9.1114751 </Energy>
<Charge_width> 0.1794300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.6481480 </Zeta>
<H_core> -1.2674620 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.7379436 </Zeta>
<H_core> -2.0413480 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.9360780 </A>
<C> 30.9413190 </C>
<D> 3.2434110 </D>
</Repulsive>
</Element>
<Element name="N">
<Z> 7 </Z>
<Zeff> 5.0000000 </Zeff>
<Energy> -16.5300766 </Energy>
<Charge_width> 0.2472100 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.8686790 </Zeta>
<H_core> -1.8882320 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.9911154 </Zeta>
<H_core> -2.9120470 </H_core>
<Occ> 3.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 2.8514020 </A>
<C> 66.8726960 </C>
<D> 11.5917260 </D>
</Repulsive>
</Element>
<Element name="O">
<Z> 8 </Z>
<Zeff> 6.0000000 </Zeff>
<Energy> -27.3762533 </Energy>
<Charge_width> 0.2448300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.1163084 </Zeta>
<H_core> -2.6715280 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.2871721 </Zeta>
<H_core> -4.0763620 </H_core>
<Occ> 4.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 4.5910180 </A>
<C> 273.0330410 </C>
<D> 41.0799110 </D>
</Repulsive>
</Element>
<Element name="F">
<Z> 9 </Z>
<Zeff> 7.0000000 </Zeff>
<Energy> -42.5902023 </Energy>
<Charge_width> 0.2767200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.3976247 </Zeta>
<H_core> -3.6543380 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.6192952 </Zeta>
<H_core> -5.5767190 </H_core>
<Occ> 5.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 4.5289490 </A>
<C> 508.7743000 </C>
<D> -316.4978490 </D>
</Repulsive>
</Element>
<Element name="Ne">
<Z> 10 </Z>
<Zeff> 8.0000000 </Zeff>
<Energy> -62.1129574 </Energy>
<Charge_width> 0.4440700 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.6425492 </Zeta>
<H_core> -4.7467350 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.9281279 </Zeta>
<H_core> -7.2448810 </H_core>
<Occ> 6.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 3.6817390 </A>
<C> 599.3597680 </C>
<D> -953.8529960 </D>
</Repulsive>
</Element>
<Element name="Na">
<Z> 11 </Z>
<Zeff> 9.0000000 </Zeff>
<Energy> -82.8823013 </Energy>
<Charge_width> 0.0907200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.8105518 </Zeta>
<H_core> -3.0163080 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.0591564 </Zeta>
<H_core> -0.1599060 </H_core>
<Occ> 1.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.3551117 </Zeta>
<H_core> -6.4086670 </H_core>
<Occ> 6.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.8374170 </A>
<C> 3.4376050 </C>
<D> 0.0504540 </D>
</Repulsive>
</Element>
<Element name="Mg">
<Z> 12 </Z>
<Zeff> 10.0000000 </Zeff>
<Energy> -113.0931943 </Energy>
<Charge_width> 0.1727600 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.2754809 </Zeta>
<H_core> -6.7375500 </H_core>
<Occ> 2.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.2686438 </Zeta>
<H_core> -0.6205260 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.9380467 </Zeta>
<H_core> -11.9934820 </H_core>
<Occ> 6.0000000 </Occ>
<N> 2 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.9746120 </A>
<C> 2.3186400 </C>
<D> 0.2190470 </D>
</Repulsive>
</Element>
<Element name="Al">
<Z> 13 </Z>
<Zeff> 3.0000000 </Zeff>
<Energy> -2.7254956 </Energy>
<Charge_width> 0.1234200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.4530111 </Zeta>
<H_core> -0.7903860 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.3390284 </Zeta>
<H_core> -0.7755790 </H_core>
<Occ> 1.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.3214800 </A>
<C> 14.3672830 </C>
<D> 0.4489740 </D>
</Repulsive>
</Element>
<Element name="Si">
<Z> 14 </Z>
<Zeff> 4.0000000 </Zeff>
<Energy> -5.2576454 </Energy>
<Charge_width> 0.1431700 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.6342476 </Zeta>
<H_core> -1.1601900 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.4945016 </Zeta>
<H_core> -1.1287150 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.5798170 </A>
<C> 44.2160880 </C>
<D> -2.2466290 </D>
</Repulsive>
</Element>
<Element name="P">
<Z> 15 </Z>
<Zeff> 5.0000000 </Zeff>
<Energy> -8.8800378 </Energy>
<Charge_width> 0.1583400 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.8180881 </Zeta>
<H_core> -1.6031860 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.6387075 </Zeta>
<H_core> -1.5334280 </H_core>
<Occ> 3.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 2.0823960 </A>
<C> 136.4762120 </C>
<D> -8.3629210 </D>
</Repulsive>
</Element>
<Element name="S">
<Z> 16 </Z>
<Zeff> 6.0000000 </Zeff>
<Energy> -13.8411909 </Energy>
<Charge_width> 0.1732600 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.0141011 </Zeta>
<H_core> -2.1295360 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.8030914 </Zeta>
<H_core> -2.0231970 </H_core>
<Occ> 4.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.8467690 </A>
<C> 134.5170550 </C>
<D> -18.4113090 </D>
</Repulsive>
</Element>
<Element name="Cl">
<Z> 17 </Z>
<Zeff> 7.0000000 </Zeff>
<Energy> -20.4180464 </Energy>
<Charge_width> 0.1895200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.2149686 </Zeta>
<H_core> -2.7388540 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.9918335 </Zeta>
<H_core> -2.6198640 </H_core>
<Occ> 5.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.8305820 </A>
<C> 148.7381760 </C>
<D> -22.2511500 </D>
</Repulsive>
</Element>
<Element name="Ar">
<Z> 18 </Z>
<Zeff> 8.0000000 </Zeff>
<Energy> -28.7945578 </Energy>
<Charge_width> 0.3661800 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.4161070 </Zeta>
<H_core> -3.4291920 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.1852506 </Zeta>
<H_core> -3.3066890 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 2.0510390 </A>
<C> 336.7415230 </C>
<D> -81.2487030 </D>
</Repulsive>
</Element>
<Element name="K">
<Z> 19 </Z>
<Zeff> 9.0000000 </Zeff>
<Energy> -38.0938519 </Energy>
<Charge_width> 0.0743200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.6229067 </Zeta>
<H_core> -1.9108740 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.1068482 </Zeta>
<H_core> -0.1391000 </H_core>
<Occ> 1.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.4599498 </Zeta>
<H_core> -2.0593980 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.1208290 </A>
<C> 5.1709740 </C>
<D> 0.1716520 </D>
</Repulsive>
</Element>
<Element name="Ca">
<Z> 20 </Z>
<Zeff> 10.0000000 </Zeff>
<Energy> -49.0353545 </Energy>
<Charge_width> 0.1424500 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.8540196 </Zeta>
<H_core> -4.4483750 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.2987038 </Zeta>
<H_core> -0.6678810 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.7250866 </Zeta>
<H_core> -4.5941090 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.9942220 </A>
<C> 4.1830140 </C>
<D> 0.9075720 </D>
</Repulsive>
</Element>
<Element name="Sc">
<Z> 21 </Z>
<Zeff> 11.0000000 </Zeff>
<Energy> -63.8413416 </Energy>
<Charge_width> 0.1383000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.1146919 </Zeta>
<H_core> -5.5196700 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.3517905 </Zeta>
<H_core> -0.7749410 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.9063445 </Zeta>
<H_core> -5.5144470 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.6521742 </Zeta>
<H_core> -5.6734270 </H_core>
<Occ> 1.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.9288240 </A>
<C> 54.8670150 </C>
<D> 0.4298490 </D>
</Repulsive>
</Element>
<Element name="Ti">
<Z> 22 </Z>
<Zeff> 12.0000000 </Zeff>
<Energy> -82.2678581 </Energy>
<Charge_width> 0.1356500 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.3133471 </Zeta>
<H_core> -6.5898780 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.4070132 </Zeta>
<H_core> -0.8890330 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.1234476 </Zeta>
<H_core> -6.6662920 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.9240005 </Zeta>
<H_core> -7.1294080 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.3570230 </A>
<C> 6.6769270 </C>
<D> 14.8378570 </D>
</Repulsive>
</Element>
<Element name="V">
<Z> 23 </Z>
<Zeff> 13.0000000 </Zeff>
<Energy> -104.1480963 </Energy>
<Charge_width> 0.1333200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.5185920 </Zeta>
<H_core> -7.8163620 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.4540650 </Zeta>
<H_core> -1.0077300 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.3449074 </Zeta>
<H_core> -7.9592070 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.1611945 </Zeta>
<H_core> -8.6372730 </H_core>
<Occ> 3.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.8733140 </A>
<C> 30.4822290 </C>
<D> 0.4468070 </D>
</Repulsive>
</Element>
<Element name="Cr">
<Z> 24 </Z>
<Zeff> 14.0000000 </Zeff>
<Energy> -130.4404711 </Energy>
<Charge_width> 0.1092800 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.6801035 </Zeta>
<H_core> -3.6285490 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.4630451 </Zeta>
<H_core> -0.1779290 </H_core>
<Occ> 1.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.5306659 </Zeta>
<H_core> -4.0922300 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.1674389 </Zeta>
<H_core> -4.4808450 </H_core>
<Occ> 5.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.7297290 </A>
<C> 13.0619050 </C>
<D> -0.4084580 </D>
</Repulsive>
</Element>
<Element name="Mn">
<Z> 25 </Z>
<Zeff> 15.0000000 </Zeff>
<Energy> -158.9445662 </Energy>
<Charge_width> 0.1290900 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.9081692 </Zeta>
<H_core> -10.5295040 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.5515000 </Zeta>
<H_core> -1.2822050 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.7855578 </Zeta>
<H_core> -10.9497020 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.6175770 </Zeta>
<H_core> -12.0333390 </H_core>
<Occ> 5.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.9064150 </A>
<C> 25.6836790 </C>
<D> 0.5444680 </D>
</Repulsive>
</Element>
<Element name="Fe">
<Z> 26 </Z>
<Zeff> 16.0000000 </Zeff>
<Energy> -192.0595917 </Energy>
<Charge_width> 0.1276300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.1215201 </Zeta>
<H_core> -12.0714680 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.6043918 </Zeta>
<H_core> -1.4476150 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 4.0146657 </Zeta>
<H_core> -12.6647170 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.8189143 </Zeta>
<H_core> -13.8383600 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.4829150 </A>
<C> 5.4122990 </C>
<D> 11.7311340 </D>
</Repulsive>
</Element>
<Element name="Co">
<Z> 27 </Z>
<Zeff> 17.0000000 </Zeff>
<Energy> -228.9547872 </Energy>
<Charge_width> 0.1262900 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.3238410 </Zeta>
<H_core> -13.7876410 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.6570705 </Zeta>
<H_core> -1.6268100 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 4.2504219 </Zeta>
<H_core> -14.5334960 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.9968637 </Zeta>
<H_core> -15.6450560 </H_core>
<Occ> 7.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.6624860 </A>
<C> 8.3676720 </C>
<D> 0.0729150 </D>
</Repulsive>
</Element>
<Element name="Ni">
<Z> 28 </Z>
<Zeff> 18.0000000 </Zeff>
<Energy> -269.7206294 </Energy>
<Charge_width> 0.1237600 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.5338741 </Zeta>
<H_core> -15.5069170 </H_core>
<Occ> 2.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.6876468 </Zeta>
<H_core> -1.7820950 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 4.4278262 </Zeta>
<H_core> -16.2659230 </H_core>
<Occ> 6.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 4.2055665 </Zeta>
<H_core> -17.7473190 </H_core>
<Occ> 8.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.2346520 </A>
<C> 50.0779490 </C>
<D> -1.1595420 </D>
</Repulsive>
</Element>
<Element name="Cu">
<Z> 29 </Z>
<Zeff> 11.0000000 </Zeff>
<Energy> -122.3429850 </Energy>
<Charge_width> 0.1256200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.5707809 </Zeta>
<H_core> -1.5352990 </H_core>
<Occ> 1.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.9091470 </Zeta>
<H_core> -12.9844910 </H_core>
<Occ> 10.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.5245670 </A>
<C> 1.8391220 </C>
<D> 0.0362330 </D>
</Repulsive>
</Element>
<Element name="Zn">
<Z> 30 </Z>
<Zeff> 12.0000000 </Zeff>
<Energy> -147.5277765 </Energy>
<Charge_width> 0.2026000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.7435351 </Zeta>
<H_core> -1.6750420 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 4.2130829 </Zeta>
<H_core> -14.6168180 </H_core>
<Occ> 10.0000000 </Occ>
<N> 3 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 2.4012520 </A>
<C> 97.4417370 </C>
<D> 6.9605270 </D>
</Repulsive>
</Element>
<Element name="Ga">
<Z> 31 </Z>
<Zeff> 3.0000000 </Zeff>
<Energy> -3.0315037 </Energy>
<Charge_width> 0.1236200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.0089833 </Zeta>
<H_core> -1.0842400 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.6927124 </Zeta>
<H_core> -0.9186220 </H_core>
<Occ> 1.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 2.3662280 </A>
<C> 5.2822070 </C>
<D> 28.4437960 </D>
</Repulsive>
</Element>
<Element name="Ge">
<Z> 32 </Z>
<Zeff> 4.0000000 </Zeff>
<Energy> -5.3035251 </Energy>
<Charge_width> 0.1354400 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.1568801 </Zeta>
<H_core> -1.4837060 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.8091230 </Zeta>
<H_core> -1.2579070 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.5028810 </A>
<C> 46.1809460 </C>
<D> -3.4700800 </D>
</Repulsive>
</Element>
<Element name="As">
<Z> 33 </Z>
<Zeff> 5.0000000 </Zeff>
<Energy> -8.4813680 </Energy>
<Charge_width> 0.1459500 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.3465917 </Zeta>
<H_core> -1.9657140 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.9437530 </Zeta>
<H_core> -1.6518320 </H_core>
<Occ> 3.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.7992470 </A>
<C> 122.3692650 </C>
<D> -10.2643850 </D>
</Repulsive>
</Element>
<Element name="Se">
<Z> 34 </Z>
<Zeff> 6.0000000 </Zeff>
<Energy> -12.6412308 </Energy>
<Charge_width> 0.1562300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.5183911 </Zeta>
<H_core> -2.4865590 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.0960182 </Zeta>
<H_core> -2.1065530 </H_core>
<Occ> 4.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.6109090 </A>
<C> 125.8379830 </C>
<D> -14.1053250 </D>
</Repulsive>
</Element>
<Element name="Br">
<Z> 35 </Z>
<Zeff> 7.0000000 </Zeff>
<Energy> -17.9425209 </Energy>
<Charge_width> 0.1674100 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.6950673 </Zeta>
<H_core> -3.0643840 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.2582485 </Zeta>
<H_core> -2.6217000 </H_core>
<Occ> 5.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.8374790 </A>
<C> 216.4465700 </C>
<D> -21.5031260 </D>
</Repulsive>
</Element>
<Element name="Kr">
<Z> 36 </Z>
<Zeff> 8.0000000 </Zeff>
<Energy> -24.4836220 </Energy>
<Charge_width> 0.3211200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.8636990 </Zeta>
<H_core> -3.6859880 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.4240088 </Zeta>
<H_core> -3.1924720 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 1.6004810 </A>
<C> 180.4764320 </C>
<D> -24.0936030 </D>
</Repulsive>
</Element>
<Element name="Rb">
<Z> 37 </Z>
<Zeff> 9.0000000 </Zeff>
<Energy> -31.1566296 </Energy>
<Charge_width> 0.0704100 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.0147012 </Zeta>
<H_core> -1.7623350 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.2258604 </Zeta>
<H_core> -0.1351650 </H_core>
<Occ> 1.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.6266614 </Zeta>
<H_core> -1.5104500 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Sr">
<Z> 38 </Z>
<Zeff> 10.0000000 </Zeff>
<Energy> -39.3286819 </Energy>
<Charge_width> 0.1319200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.2116895 </Zeta>
<H_core> -4.5609050 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.4124127 </Zeta>
<H_core> -0.8341970 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.8586162 </Zeta>
<H_core> -4.1307200 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Y">
<Z> 39 </Z>
<Zeff> 11.0000000 </Zeff>
<Energy> -49.2723686 </Energy>
<Charge_width> 0.1307800 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.3757911 </Zeta>
<H_core> -5.3483340 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.4926852 </Zeta>
<H_core> -0.9856020 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.0607449 </Zeta>
<H_core> -4.9366700 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.1053109 </Zeta>
<H_core> -3.1180680 </H_core>
<Occ> 1.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Zr">
<Z> 40 </Z>
<Zeff> 12.0000000 </Zeff>
<Energy> -61.0438958 </Energy>
<Charge_width> 0.1283900 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.5455840 </Zeta>
<H_core> -6.2071140 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.5847415 </Zeta>
<H_core> -1.1722830 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.2473201 </Zeta>
<H_core> -5.8160300 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.3338772 </Zeta>
<H_core> -3.9506920 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Nb">
<Z> 41 </Z>
<Zeff> 13.0000000 </Zeff>
<Energy> -74.7921884 </Energy>
<Charge_width> 0.1236200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.7567970 </Zeta>
<H_core> -7.2403150 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.6606149 </Zeta>
<H_core> -1.3708710 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.4338843 </Zeta>
<H_core> -6.7548070 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.5585625 </Zeta>
<H_core> -4.8753180 </H_core>
<Occ> 3.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Mo">
<Z> 42 </Z>
<Zeff> 14.0000000 </Zeff>
<Energy> -90.7827095 </Energy>
<Charge_width> 0.1033300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.9069945 </Zeta>
<H_core> -3.2687200 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.6605643 </Zeta>
<H_core> -0.2002380 </H_core>
<Occ> 1.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.5825197 </Zeta>
<H_core> -3.0377640 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.6443962 </Zeta>
<H_core> -1.8960090 </H_core>
<Occ> 5.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Tc">
<Z> 43 </Z>
<Zeff> 15.0000000 </Zeff>
<Energy> -107.3906572 </Energy>
<Charge_width> 0.1102300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.0919371 </Zeta>
<H_core> -9.3089210 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.7958176 </Zeta>
<H_core> -1.8010470 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.7814126 </Zeta>
<H_core> -8.7895950 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.9111761 </Zeta>
<H_core> -6.7412310 </H_core>
<Occ> 5.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Ru">
<Z> 44 </Z>
<Zeff> 16.0000000 </Zeff>
<Energy> -126.6425710 </Energy>
<Charge_width> 0.1009300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.2445024 </Zeta>
<H_core> -10.4422560 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.8335894 </Zeta>
<H_core> -1.9947200 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.9566985 </Zeta>
<H_core> -9.9069570 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.0690310 </Zeta>
<H_core> -7.7344600 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Rh">
<Z> 45 </Z>
<Zeff> 17.0000000 </Zeff>
<Energy> -148.2400975 </Energy>
<Charge_width> 0.0916400 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.4069612 </Zeta>
<H_core> -11.6554150 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.8809693 </Zeta>
<H_core> -2.2206340 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 4.0950087 </Zeta>
<H_core> -11.0592290 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.2355113 </Zeta>
<H_core> -8.8263990 </H_core>
<Occ> 7.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Pd">
<Z> 46 </Z>
<Zeff> 18.0000000 </Zeff>
<Energy> -171.8350308 </Energy>
<Charge_width> 0.1615100 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.5742420 </Zeta>
<H_core> -12.9277890 </H_core>
<Occ> 2.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.9244168 </Zeta>
<H_core> -2.4555950 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 4.2998208 </Zeta>
<H_core> -12.3563140 </H_core>
<Occ> 6.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.3723494 </Zeta>
<H_core> -9.8960130 </H_core>
<Occ> 8.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Ag">
<Z> 47 </Z>
<Zeff> 11.0000000 </Zeff>
<Energy> -72.2324159 </Energy>
<Charge_width> 0.1200300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.7781571 </Zeta>
<H_core> -1.9274980 </H_core>
<Occ> 1.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.5513491 </Zeta>
<H_core> -7.9993440 </H_core>
<Occ> 10.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Cd">
<Z> 48 </Z>
<Zeff> 12.0000000 </Zeff>
<Energy> -86.6725371 </Energy>
<Charge_width> 0.1980500 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 1.9191806 </Zeta>
<H_core> -2.0089590 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.7859800 </Zeta>
<H_core> -8.8362530 </H_core>
<Occ> 10.0000000 </Occ>
<N> 4 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="In">
<Z> 49 </Z>
<Zeff> 3.0000000 </Zeff>
<Energy> -2.7142454 </Energy>
<Charge_width> 0.1080300 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.2084726 </Zeta>
<H_core> -1.0059670 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.8041928 </Zeta>
<H_core> -0.8043950 </H_core>
<Occ> 1.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Sn">
<Z> 50 </Z>
<Zeff> 4.0000000 </Zeff>
<Energy> -4.6559562 </Energy>
<Charge_width> 0.1185700 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.3594011 </Zeta>
<H_core> -1.3725650 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 1.9274642 </Zeta>
<H_core> -1.1078600 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Sb">
<Z> 51 </Z>
<Zeff> 5.0000000 </Zeff>
<Energy> -7.2863812 </Energy>
<Charge_width> 0.1271800 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.5169296 </Zeta>
<H_core> -1.7801180 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.0580980 </Zeta>
<H_core> -1.4487750 </H_core>
<Occ> 3.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Te">
<Z> 52 </Z>
<Zeff> 6.0000000 </Zeff>
<Energy> -10.6940518 </Energy>
<Charge_width> 0.1360200 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.6735450 </Zeta>
<H_core> -2.2244450 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.1996768 </Zeta>
<H_core> -1.8312300 </H_core>
<Occ> 4.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="I">
<Z> 53 </Z>
<Zeff> 7.0000000 </Zeff>
<Energy> -14.9433759 </Energy>
<Charge_width> 0.1445400 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.8197002 </Zeta>
<H_core> -2.6983850 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.3419484 </Zeta>
<H_core> -2.2489320 </H_core>
<Occ> 5.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Xe">
<Z> 54 </Z>
<Zeff> 8.0000000 </Zeff>
<Energy> -20.1247126 </Energy>
<Charge_width> 0.2710900 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.9702393 </Zeta>
<H_core> -3.2100290 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.4849693 </Zeta>
<H_core> -2.7021660 </H_core>
<Occ> 6.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0569200 </A>
<C> 40.1235818 </C>
<D> -3.2205383 </D>
</Repulsive>
</Element>
<Element name="Cs">
<Z> 55 </Z>
<Zeff> 9.0000000 </Zeff>
<Energy> -25.5184976 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.1473747 </Zeta>
<H_core> -1.4809190 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.3018999 </Zeta>
<H_core> -0.1251010 </H_core>
<Occ> 1.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.6751803 </Zeta>
<H_core> -1.1507290 </H_core>
<Occ> 6.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Ba">
<Z> 56 </Z>
<Zeff> 10.0000000 </Zeff>
<Energy> -31.8876064 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.3233375 </Zeta>
<H_core> -3.9802750 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.4874442 </Zeta>
<H_core> -0.8683110 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.8725154 </Zeta>
<H_core> -3.4372220 </H_core>
<Occ> 6.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="La">
<Z> 57 </Z>
<Zeff> 11.0000000 </Zeff>
<Energy> -39.5354690 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.4944998 </Zeta>
<H_core> -4.6484560 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.5834187 </Zeta>
<H_core> -1.0402670 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 3.0343720 </Zeta>
<H_core> -4.0327660 </H_core>
<Occ> 6.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.1174453 </Zeta>
<H_core> -2.5812950 </H_core>
<Occ> 1.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Hf">
<Z> 72 </Z>
<Zeff> 12.0000000 </Zeff>
<Energy> -65.0673065 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 4.9019592 </Zeta>
<H_core> -8.1013610 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="2" l="0">
<Zeta> 1.9756239 </Zeta>
<H_core> -1.7601950 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 4.2156321 </Zeta>
<H_core> -7.0977140 </H_core>
<Occ> 6.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.6128065 </Zeta>
<H_core> -3.9976120 </H_core>
<Occ> 2.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Ta">
<Z> 73 </Z>
<Zeff> 5.0000000 </Zeff>
<Energy> -9.6662431 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.0440866 </Zeta>
<H_core> -1.0504750 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 2.9329553 </Zeta>
<H_core> -2.6208090 </H_core>
<Occ> 3.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="W">
<Z> 74 </Z>
<Zeff> 6.0000000 </Zeff>
<Energy> -15.6800288 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.0174083 </Zeta>
<H_core> -1.2474620 </H_core>
<Occ> 1.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.0497521 </Zeta>
<H_core> -3.1680650 </H_core>
<Occ> 5.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Re">
<Z> 75 </Z>
<Zeff> 7.0000000 </Zeff>
<Energy> -20.6916346 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.1831349 </Zeta>
<H_core> -1.4684280 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.2634393 </Zeta>
<H_core> -3.7697470 </H_core>
<Occ> 5.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Os">
<Z> 76 </Z>
<Zeff> 8.0000000 </Zeff>
<Energy> -28.1292074 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.2405593 </Zeta>
<H_core> -1.6958740 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.4424924 </Zeta>
<H_core> -4.4495780 </H_core>
<Occ> 6.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Ir">
<Z> 77 </Z>
<Zeff> 9.0000000 </Zeff>
<Energy> -37.0322358 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.2817693 </Zeta>
<H_core> -1.9233070 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.6313541 </Zeta>
<H_core> -5.2060840 </H_core>
<Occ> 7.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Pt">
<Z> 78 </Z>
<Zeff> 10.0000000 </Zeff>
<Energy> -47.0667541 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.3404450 </Zeta>
<H_core> -2.1844110 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.7699322 </Zeta>
<H_core> -5.9510740 </H_core>
<Occ> 8.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Au">
<Z> 79 </Z>
<Zeff> 11.0000000 </Zeff>
<Energy> -59.8322216 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.2754185 </Zeta>
<H_core> -2.5638270 </H_core>
<Occ> 1.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 3.8326487 </Zeta>
<H_core> -6.9068260 </H_core>
<Occ> 10.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Hg">
<Z> 80 </Z>
<Zeff> 12.0000000 </Zeff>
<Energy> -71.1276273 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.4464822 </Zeta>
<H_core> -2.7427260 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="2">
<Zeta> 4.0216166 </Zeta>
<H_core> -7.5256430 </H_core>
<Occ> 10.0000000 </Occ>
<N> 5 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
<Eta l="2"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Tl">
<Z> 81 </Z>
<Zeff> 3.0000000 </Zeff>
<Energy> -2.9238396 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.7301740 </Zeta>
<H_core> -1.1537760 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.0779189 </Zeta>
<H_core> -0.8176920 </H_core>
<Occ> 1.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Pb">
<Z> 82 </Z>
<Zeff> 4.0000000 </Zeff>
<Energy> -4.8358827 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 2.9106883 </Zeta>
<H_core> -1.5560620 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.2038202 </Zeta>
<H_core> -1.1167330 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Bi">
<Z> 83 </Z>
<Zeff> 5.0000000 </Zeff>
<Energy> -7.3632956 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.0743381 </Zeta>
<H_core> -1.9816420 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.3442843 </Zeta>
<H_core> -1.4553230 </H_core>
<Occ> 3.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Po">
<Z> 84 </Z>
<Zeff> 6.0000000 </Zeff>
<Energy> -10.5748483 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.2220405 </Zeta>
<H_core> -2.4306690 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.4887649 </Zeta>
<H_core> -1.8268270 </H_core>
<Occ> 4.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="At">
<Z> 85 </Z>
<Zeff> 7.0000000 </Zeff>
<Energy> -14.5776537 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.3895214 </Zeta>
<H_core> -2.9212370 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.6388961 </Zeta>
<H_core> -2.2354000 </H_core>
<Occ> 5.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0000000 </A>
<C> 0.0000000 </C>
<D> 0.0000000 </D>
</Repulsive>
</Element>
<Element name="Rn">
<Z> 86 </Z>
<Zeff> 8.0000000 </Zeff>
<Energy> -19.3660756 </Energy>
<Charge_width> 0.2000000 </Charge_width>
<Electron_shell n="1" l="0">
<Zeta> 3.5384432 </Zeta>
<H_core> -3.4351740 </H_core>
<Occ> 2.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<Electron_shell n="1" l="1">
<Zeta> 2.7788283 </Zeta>
<H_core> -2.6636150 </H_core>
<Occ> 6.0000000 </Occ>
<N> 6 </N>
</Electron_shell>
<SCP>
<Eta l="1"> 0.0000000 </Eta>
</SCP>
<Repulsive>
<A> 0.0483641 </A>
<C> 50.5029865 </C>
<D> -3.2325016 </D>
</Repulsive>
</Element>
</nm12_parameters>
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