mirror of https://github.com/QMCPACK/qmcpack.git
2456 lines
240 KiB
XML
2456 lines
240 KiB
XML
<?xml version="1.0"?>
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<!--
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GAMESS numerical results:
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PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION
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ENERGY COMPONENTS
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WAVEFUNCTION NORMALIZATION = 1.0000000000
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ONE ELECTRON ENERGY = -1.5640017754
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TWO ELECTRON ENERGY = 0.4814819907
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NUCLEAR REPULSION ENERGY = 0.3317933721
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TOTAL ENERGY = -0.7507264125
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ELECTRON-ELECTRON POTENTIAL ENERGY = 0.4814819907
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NUCLEUS-ELECTRON POTENTIAL ENERGY = -2.1994509240
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NUCLEUS-NUCLEUS POTENTIAL ENERGY = 0.3317933721
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TOTAL POTENTIAL ENERGY = -1.3861755612
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TOTAL KINETIC ENERGY = 0.6354491487
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VIRIAL RATIO (V/T) = 2.1814106827
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-->
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<simulation>
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<project id="det_vmc_hf_noj" series="0">
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<application name="qmcapp" role="molecu" class="serial" version="1.0"/>
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<parameter name="driver_version">legacy</parameter>
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</project>
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<random seed="624"/>
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<qmcsystem>
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<simulationcell>
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<parameter name="bconds">
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n n n
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</parameter>
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</simulationcell>
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<particleset name="e" random="yes" randomsrc="ion0">
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<group name="u" size="1">
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<parameter name="charge" > -1 </parameter>
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<parameter name="mass" > 1.0 </parameter>
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</group>
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<group name="d" size="1">
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<parameter name="charge" > -1 </parameter>
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<parameter name="mass" > 1.0 </parameter>
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</group>
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</particleset>
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<particleset name="ion0">
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<group name="Li" size="1">
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<parameter name="charge" > 1 </parameter>
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<parameter name="valence" > 1 </parameter>
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<parameter name="atomicnumber" > 3 </parameter>
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<parameter name="mass" > 12652.6689728 </parameter>
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<attrib name="position" datatype="posArray" condition="0">
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0.00000000 0.00000000 0.00000000
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</attrib>
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</group>
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<group name="H" size="1">
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<parameter name="charge" > 1 </parameter>
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<parameter name="valence" > 1 </parameter>
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<parameter name="atomicnumber" > 1 </parameter>
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<parameter name="mass" > 1837.36221934 </parameter>
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<attrib name="position" datatype="posArray" condition="0">
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0.00000000 0.00000000 3.01392421
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</attrib>
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</group>
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</particleset>
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<wavefunction name="psi0" target="e">
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<sposet_collection type="MolecularOrbital" name="LCAOBSet" source="ion0" transform="yes">
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<basisset name="LCAOBSet">
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<atomicBasisSet type="Gaussian" elementType="Li" normalized="no" name="Gaussian-G2" angular="cartesian">
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<grid npts="1001" type="log" ri="1e-06" rf="100.0"/>
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<basisGroup rid="Li00" n="0" l="0" type="Gaussian">
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<radfunc exponent="1.865990000000e+00" contraction="5.887001375000e-03"/>
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<radfunc exponent="7.259950000000e-01" contraction="-5.775101349200e-02"/>
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<radfunc exponent="3.092510000000e-01" contraction="-1.117890261160e-01"/>
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<radfunc exponent="1.103130000000e-01" contraction="3.616050844790e-01"/>
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<radfunc exponent="4.887400000000e-02" contraction="-2.415540564320e-01"/>
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<radfunc exponent="2.176800000000e-02" contraction="1.027902240141e+00"/>
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</basisGroup>
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<basisGroup rid="Li10" n="1" l="0" type="Gaussian">
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<radfunc exponent="1.865990000000e+00" contraction="2.156799699500e-02"/>
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<radfunc exponent="7.259950000000e-01" contraction="-1.625389773560e-01"/>
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<radfunc exponent="3.092510000000e-01" contraction="2.309999680000e-04"/>
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<radfunc exponent="1.103130000000e-01" contraction="1.043029854690e-01"/>
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<radfunc exponent="4.887400000000e-02" contraction="2.112287705725e+00"/>
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<radfunc exponent="2.176800000000e-02" contraction="-1.974802724879e+00"/>
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</basisGroup>
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<basisGroup rid="Li20" n="2" l="0" type="Gaussian">
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<radfunc exponent="1.865990000000e+00" contraction="-3.084599532200e-02"/>
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<radfunc exponent="7.259950000000e-01" contraction="2.430369631420e-01"/>
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<radfunc exponent="3.092510000000e-01" contraction="3.043379538460e-01"/>
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<radfunc exponent="1.103130000000e-01" contraction="-3.800733423600e+00"/>
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<radfunc exponent="4.887400000000e-02" contraction="5.123010223070e+00"/>
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<radfunc exponent="2.176800000000e-02" contraction="-2.224755662605e+00"/>
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</basisGroup>
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<basisGroup rid="Li30" n="3" l="0" type="Gaussian">
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<radfunc exponent="1.865990000000e+00" contraction="3.002019472150e-01"/>
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<radfunc exponent="7.259950000000e-01" contraction="-2.168855618649e+00"/>
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<radfunc exponent="3.092510000000e-01" contraction="5.224023081457e+00"/>
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<radfunc exponent="1.103130000000e-01" contraction="-6.124128923191e+00"/>
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<radfunc exponent="4.887400000000e-02" contraction="4.531278203263e+00"/>
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<radfunc exponent="2.176800000000e-02" contraction="-1.488294738312e+00"/>
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</basisGroup>
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<basisGroup rid="Li40" n="4" l="0" type="Gaussian">
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<radfunc exponent="2.805000000000e-02" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="Li51" n="5" l="1" type="Gaussian">
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<radfunc exponent="1.534000000000e+00" contraction="3.800752555400e-02"/>
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<radfunc exponent="2.749000000000e-01" contraction="2.320250513320e-01"/>
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<radfunc exponent="7.362000000000e-02" contraction="8.346359869750e-01"/>
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</basisGroup>
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<basisGroup rid="Li61" n="6" l="1" type="Gaussian">
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<radfunc exponent="5.578000000000e-02" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="Li71" n="7" l="1" type="Gaussian">
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<radfunc exponent="2.050000000000e-02" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="Li82" n="8" l="2" type="Gaussian">
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<radfunc exponent="1.874000000000e-01" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="Li92" n="9" l="2" type="Gaussian">
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<radfunc exponent="8.010000000000e-02" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="Li103" n="10" l="3" type="Gaussian">
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<radfunc exponent="1.829000000000e-01" contraction="1.000000000000e+00"/>
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</basisGroup>
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</atomicBasisSet>
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<atomicBasisSet type="Gaussian" elementType="H" normalized="no" name="Gaussian-G2" angular="cartesian">
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<grid npts="1001" type="log" ri="1e-06" rf="100.0"/>
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<basisGroup rid="H00" n="0" l="0" type="Gaussian">
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<radfunc exponent="6.359201000000e+00" contraction="-4.942998658000e-03"/>
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<radfunc exponent="3.546637000000e+00" contraction="4.957898653500e-02"/>
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<radfunc exponent="1.493442000000e+00" contraction="3.717598990300e-02"/>
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<radfunc exponent="5.519480000000e-01" contraction="2.879079218080e-01"/>
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<radfunc exponent="2.072030000000e-01" contraction="9.542997408000e-03"/>
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<radfunc exponent="7.923400000000e-02" contraction="7.700837908540e-01"/>
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</basisGroup>
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<basisGroup rid="H10" n="1" l="0" type="Gaussian">
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<radfunc exponent="6.359201000000e+00" contraction="-1.667199976700e-02"/>
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<radfunc exponent="3.546637000000e+00" contraction="-5.773999919000e-03"/>
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<radfunc exponent="1.493442000000e+00" contraction="-2.279819968180e-01"/>
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<radfunc exponent="5.519480000000e-01" contraction="-2.856519960130e-01"/>
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<radfunc exponent="2.072030000000e-01" contraction="-1.071578985044e+00"/>
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<radfunc exponent="7.923400000000e-02" contraction="1.423766980129e+00"/>
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</basisGroup>
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<basisGroup rid="H20" n="2" l="0" type="Gaussian">
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<radfunc exponent="6.359201000000e+00" contraction="-1.888600587300e-02"/>
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<radfunc exponent="3.546637000000e+00" contraction="-5.885401830200e-02"/>
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<radfunc exponent="1.493442000000e+00" contraction="-5.569881732060e-01"/>
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<radfunc exponent="5.519480000000e-01" contraction="-1.084022337096e+00"/>
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<radfunc exponent="2.072030000000e-01" contraction="2.721525846308e+00"/>
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<radfunc exponent="7.923400000000e-02" contraction="-1.458091453420e+00"/>
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</basisGroup>
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<basisGroup rid="H30" n="3" l="0" type="Gaussian">
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<radfunc exponent="6.359201000000e+00" contraction="-8.199899794700e-02"/>
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<radfunc exponent="3.546637000000e+00" contraction="-6.945999826100e-02"/>
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<radfunc exponent="1.493442000000e+00" contraction="-2.075554948033e+00"/>
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<radfunc exponent="5.519480000000e-01" contraction="4.125179896716e+00"/>
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<radfunc exponent="2.072030000000e-01" contraction="-3.407590914682e+00"/>
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<radfunc exponent="7.923400000000e-02" contraction="1.264872968331e+00"/>
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</basisGroup>
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<basisGroup rid="H40" n="4" l="0" type="Gaussian">
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<radfunc exponent="1.027000000000e-01" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="H51" n="5" l="1" type="Gaussian">
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<radfunc exponent="2.292000000000e+00" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="H61" n="6" l="1" type="Gaussian">
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<radfunc exponent="8.380000000000e-01" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="H71" n="7" l="1" type="Gaussian">
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<radfunc exponent="2.920000000000e-01" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="H82" n="8" l="2" type="Gaussian">
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<radfunc exponent="2.062000000000e+00" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="H92" n="9" l="2" type="Gaussian">
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<radfunc exponent="6.620000000000e-01" contraction="1.000000000000e+00"/>
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</basisGroup>
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<basisGroup rid="H103" n="10" l="3" type="Gaussian">
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<radfunc exponent="1.397000000000e+00" contraction="1.000000000000e+00"/>
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</basisGroup>
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</atomicBasisSet>
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</basisset>
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<sposet name="spo-up" size="1">
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<occupation mode="ground"/>
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<coefficient id="updetC" size="62">
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6.568050000000e-01 1.712990000000e-01 2.180400000000e-02 6.066000000000e-03
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-3.926410000000e-01 0.000000000000e+00 0.000000000000e+00 3.840880000000e-01
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0.000000000000e+00 0.000000000000e+00 -1.842270000000e-01 0.000000000000e+00
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0.000000000000e+00 3.974800000000e-02 -1.845800000000e-02 -1.845800000000e-02
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3.691600000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.182000000000e-02 -1.182000000000e-02 2.363900000000e-02 0.000000000000e+00
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|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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|
1.500600000000e-02 0.000000000000e+00 -1.006700000000e-02 0.000000000000e+00
|
|
-1.006700000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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|
7.668590000000e-01 -1.411440000000e-01 2.106400000000e-02 -9.789000000000e-03
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|
-1.410060000000e-01 0.000000000000e+00 0.000000000000e+00 -5.440000000000e-04
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|
0.000000000000e+00 0.000000000000e+00 -6.316000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 1.978000000000e-03 1.910000000000e-04 1.910000000000e-04
|
|
-3.810000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.524000000000e-03 -1.524000000000e-03 3.049000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-6.790000000000e-04 0.000000000000e+00 4.560000000000e-04 0.000000000000e+00
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|
4.560000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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|
8.013760000000e-01 -1.657960000000e-01 1.090800000000e-02 1.570000000000e-04
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|
-1.608310000000e-01 0.000000000000e+00 0.000000000000e+00 -2.412700000000e-01
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0.000000000000e+00 0.000000000000e+00 -5.532000000000e-02 0.000000000000e+00
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|
0.000000000000e+00 -5.088700000000e-01 -3.670000000000e-04 -3.670000000000e-04
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7.340000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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4.590000000000e-04 4.590000000000e-04 -9.190000000000e-04 0.000000000000e+00
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|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-3.106000000000e-03 0.000000000000e+00 2.084000000000e-03 0.000000000000e+00
|
|
2.084000000000e-03 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
6.863900000000e-02 9.467600000000e-02 8.956000000000e-03 7.860000000000e-04
|
|
-2.393000000000e-02 0.000000000000e+00 0.000000000000e+00 -5.490000000000e-04
|
|
0.000000000000e+00 0.000000000000e+00 2.819000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 -9.737000000000e-03 9.600000000000e-05 9.600000000000e-05
|
|
-1.920000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-5.580000000000e-04 -5.580000000000e-04 1.116000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.340000000000e-04 0.000000000000e+00 9.000000000000e-05 0.000000000000e+00
|
|
9.000000000000e-05 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 2.560280000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 -3.287470000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
1.089279000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.570200000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 -1.077170000000e-01 0.000000000000e+00 2.677000000000e-03
|
|
0.000000000000e+00 1.197000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -4.788000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 1.681000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 -3.689000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
2.152300000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -3.240000000000e-04
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 1.126000000000e-03 0.000000000000e+00 2.190000000000e-04
|
|
0.000000000000e+00 9.800000000000e-05 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -3.910000000000e-04 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 2.560280000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
-3.287470000000e-01 0.000000000000e+00 0.000000000000e+00 1.089279000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 1.570200000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.077170000000e-01 0.000000000000e+00 2.677000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.197000000000e-03
|
|
0.000000000000e+00 -4.788000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 1.681000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
-3.689000000000e-03 0.000000000000e+00 0.000000000000e+00 2.152300000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -3.240000000000e-04 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
1.126000000000e-03 0.000000000000e+00 2.190000000000e-04 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 9.800000000000e-05
|
|
0.000000000000e+00 -3.910000000000e-04 0.000000000000e+00 0.000000000000e+00
|
|
-5.462720000000e-01 3.768390000000e-01 1.216800000000e-02 -3.934000000000e-03
|
|
-1.017800000000e-02 0.000000000000e+00 0.000000000000e+00 1.689120000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 5.529900000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 -1.262565000000e+00 -1.397200000000e-02 -1.397200000000e-02
|
|
2.794400000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.143770000000e-01 -1.143770000000e-01 2.287530000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
4.270800000000e-02 0.000000000000e+00 -2.865000000000e-02 0.000000000000e+00
|
|
-2.865000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
1.560384000000e+00 4.061980000000e-01 1.157030000000e-01 -9.568000000000e-03
|
|
-1.477252000000e+00 0.000000000000e+00 0.000000000000e+00 1.183000000000e-03
|
|
0.000000000000e+00 0.000000000000e+00 -8.577000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 3.514800000000e-02 2.690000000000e-04 2.690000000000e-04
|
|
-5.380000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.045000000000e-03 -1.045000000000e-03 2.090000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
1.510000000000e-04 0.000000000000e+00 -1.010000000000e-04 0.000000000000e+00
|
|
-1.010000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-2.585660000000e-01 8.957740000000e-01 2.134910000000e-01 2.450000000000e-02
|
|
6.750350000000e-01 0.000000000000e+00 0.000000000000e+00 -1.924690000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 -2.689770000000e-01 0.000000000000e+00
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-9.595000000000e-03 -9.595000000000e-03 1.918900000000e-02 0.000000000000e+00
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1.462820000000e-01 0.000000000000e+00 -9.812900000000e-02 0.000000000000e+00
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-1.553400000000e+00 1.736900000000e-02 -3.752370000000e-01 8.891300000000e-02
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8.438160000000e-01 0.000000000000e+00 0.000000000000e+00 -1.672800000000e-02
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0.000000000000e+00 4.022700000000e-01 2.512000000000e-02 2.512000000000e-02
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-5.024000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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3.527800000000e-02 3.527800000000e-02 -7.055600000000e-02 0.000000000000e+00
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1.003779000000e+00 0.000000000000e+00 -6.733550000000e-01 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 -1.082550000000e-01 0.000000000000e+00
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0.000000000000e+00 -3.675800000000e-02 0.000000000000e+00 0.000000000000e+00
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2.417500000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -2.608500000000e-02
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 -1.359390000000e-01 0.000000000000e+00 4.713900000000e-02
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0.000000000000e+00 2.108100000000e-02 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 -8.432500000000e-02 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 -1.604774000000e+00 0.000000000000e+00 0.000000000000e+00
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7.745200000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 1.079060000000e-01 0.000000000000e+00 -3.811000000000e-03
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0.000000000000e+00 -1.704000000000e-03 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 6.817000000000e-03 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 -1.082550000000e-01 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 -2.608500000000e-02 0.000000000000e+00
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0.000000000000e+00 1.617165000000e+00 0.000000000000e+00 0.000000000000e+00
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-1.604774000000e+00 0.000000000000e+00 0.000000000000e+00 7.745200000000e-01
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 -3.081850000000e-01 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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1.079060000000e-01 0.000000000000e+00 -3.811000000000e-03 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -1.704000000000e-03
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0.000000000000e+00 6.817000000000e-03 0.000000000000e+00 0.000000000000e+00
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1.175446000000e+00 -1.406890000000e-01 1.907380000000e-01 6.505400000000e-02
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0.000000000000e+00 2.692900000000e-02 -8.099800000000e-02 -8.099800000000e-02
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1.619950000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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7.636800000000e-02 7.636800000000e-02 -1.527370000000e-01 0.000000000000e+00
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1.225220000000e-01 0.000000000000e+00 -8.219000000000e-02 0.000000000000e+00
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-8.219000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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-5.599150000000e-01 1.165110000000e-01 -1.575640000000e-01 1.258200000000e-02
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0.000000000000e+00 0.000000000000e+00 1.667580000000e+00 0.000000000000e+00
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0.000000000000e+00 -7.949040000000e-01 -1.965600000000e-01 -1.965600000000e-01
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|
3.931200000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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8.552900000000e-02 8.552900000000e-02 -1.710570000000e-01 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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3.197000000000e-03 0.000000000000e+00 -2.145000000000e-03 0.000000000000e+00
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-2.145000000000e-03 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 5.565500000000e-02 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.772000000000e-03
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.017290000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 1.237071000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -6.451690000000e-01
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 2.883300000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 4.819900000000e-02 -4.819900000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
1.534000000000e-03 -1.534000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 8.810000000000e-02 0.000000000000e+00
|
|
-8.810000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 1.071335000000e+00 -1.071335000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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-5.587330000000e-01 5.587330000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 2.497000000000e-02 0.000000000000e+00
|
|
-2.497000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -5.318310000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 3.287650000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
-2.875200000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -3.677950000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 2.663500000000e-02 0.000000000000e+00 1.462050000000e-01
|
|
0.000000000000e+00 6.538500000000e-02 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -2.615390000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 4.774520000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 -6.088260000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
6.797100000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.232053000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 -7.798830000000e-01 0.000000000000e+00 -2.823400000000e-02
|
|
0.000000000000e+00 -1.262700000000e-02 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 5.050700000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 -5.318310000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
3.287650000000e-01 0.000000000000e+00 0.000000000000e+00 -2.875200000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -3.677950000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
2.663500000000e-02 0.000000000000e+00 1.462050000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 6.538500000000e-02
|
|
0.000000000000e+00 -2.615390000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 4.774520000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
-6.088260000000e-01 0.000000000000e+00 0.000000000000e+00 6.797100000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 1.232053000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-7.798830000000e-01 0.000000000000e+00 -2.823400000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -1.262700000000e-02
|
|
0.000000000000e+00 5.050700000000e-02 0.000000000000e+00 0.000000000000e+00
|
|
-2.443236000000e+00 4.138860000000e-01 -7.409480000000e-01 3.405300000000e-02
|
|
2.885123000000e+00 0.000000000000e+00 0.000000000000e+00 2.634914000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -2.000288000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 1.610370000000e-01 -2.896390000000e-01 -2.896390000000e-01
|
|
5.792780000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
5.143800000000e-02 5.143800000000e-02 -1.028770000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
9.353500000000e-02 0.000000000000e+00 -6.274500000000e-02 0.000000000000e+00
|
|
-6.274500000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
6.307630000000e-01 6.630650000000e-01 -1.972970000000e-01 4.591800000000e-02
|
|
-1.718780000000e+00 0.000000000000e+00 0.000000000000e+00 6.131050000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 -8.479160000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 1.273246000000e+00 -6.099560000000e-01 -6.099560000000e-01
|
|
1.219911000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
4.179450000000e-01 4.179450000000e-01 -8.358900000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
7.733300000000e-02 0.000000000000e+00 -5.187700000000e-02 0.000000000000e+00
|
|
-5.187700000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
</coefficient>
|
|
</sposet>
|
|
<sposet name="spo-dn" size="1">
|
|
<occupation mode="ground"/>
|
|
<coefficient id="downdetC" size="62">
|
|
6.568050000000e-01 1.712990000000e-01 2.180400000000e-02 6.066000000000e-03
|
|
-3.926410000000e-01 0.000000000000e+00 0.000000000000e+00 3.840880000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 -1.842270000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 3.974800000000e-02 -1.845800000000e-02 -1.845800000000e-02
|
|
3.691600000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.182000000000e-02 -1.182000000000e-02 2.363900000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
1.500600000000e-02 0.000000000000e+00 -1.006700000000e-02 0.000000000000e+00
|
|
-1.006700000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
7.668590000000e-01 -1.411440000000e-01 2.106400000000e-02 -9.789000000000e-03
|
|
-1.410060000000e-01 0.000000000000e+00 0.000000000000e+00 -5.440000000000e-04
|
|
0.000000000000e+00 0.000000000000e+00 -6.316000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 1.978000000000e-03 1.910000000000e-04 1.910000000000e-04
|
|
-3.810000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.524000000000e-03 -1.524000000000e-03 3.049000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-6.790000000000e-04 0.000000000000e+00 4.560000000000e-04 0.000000000000e+00
|
|
4.560000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
8.013760000000e-01 -1.657960000000e-01 1.090800000000e-02 1.570000000000e-04
|
|
-1.608310000000e-01 0.000000000000e+00 0.000000000000e+00 -2.412700000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 -5.532000000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 -5.088700000000e-01 -3.670000000000e-04 -3.670000000000e-04
|
|
7.340000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
4.590000000000e-04 4.590000000000e-04 -9.190000000000e-04 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-3.106000000000e-03 0.000000000000e+00 2.084000000000e-03 0.000000000000e+00
|
|
2.084000000000e-03 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
6.863900000000e-02 9.467600000000e-02 8.956000000000e-03 7.860000000000e-04
|
|
-2.393000000000e-02 0.000000000000e+00 0.000000000000e+00 -5.490000000000e-04
|
|
0.000000000000e+00 0.000000000000e+00 2.819000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 -9.737000000000e-03 9.600000000000e-05 9.600000000000e-05
|
|
-1.920000000000e-04 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-5.580000000000e-04 -5.580000000000e-04 1.116000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-1.340000000000e-04 0.000000000000e+00 9.000000000000e-05 0.000000000000e+00
|
|
9.000000000000e-05 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 2.560280000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 -3.287470000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
1.089279000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.570200000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 -1.077170000000e-01 0.000000000000e+00 2.677000000000e-03
|
|
0.000000000000e+00 1.197000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -4.788000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 1.681000000000e-03 0.000000000000e+00
|
|
0.000000000000e+00 -3.689000000000e-03 0.000000000000e+00 0.000000000000e+00
|
|
2.152300000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -3.240000000000e-04
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 1.126000000000e-03 0.000000000000e+00 2.190000000000e-04
|
|
0.000000000000e+00 9.800000000000e-05 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -3.910000000000e-04 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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1.462820000000e-01 0.000000000000e+00 -9.812900000000e-02 0.000000000000e+00
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3.527800000000e-02 3.527800000000e-02 -7.055600000000e-02 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 -3.081850000000e-01 0.000000000000e+00
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1.079060000000e-01 0.000000000000e+00 -3.811000000000e-03 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -1.704000000000e-03
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0.000000000000e+00 6.817000000000e-03 0.000000000000e+00 0.000000000000e+00
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1.175446000000e+00 -1.406890000000e-01 1.907380000000e-01 6.505400000000e-02
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0.000000000000e+00 2.692900000000e-02 -8.099800000000e-02 -8.099800000000e-02
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1.619950000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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7.636800000000e-02 7.636800000000e-02 -1.527370000000e-01 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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1.225220000000e-01 0.000000000000e+00 -8.219000000000e-02 0.000000000000e+00
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-5.599150000000e-01 1.165110000000e-01 -1.575640000000e-01 1.258200000000e-02
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1.107540000000e+00 0.000000000000e+00 0.000000000000e+00 -1.608470000000e+00
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0.000000000000e+00 0.000000000000e+00 1.667580000000e+00 0.000000000000e+00
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0.000000000000e+00 -7.949040000000e-01 -1.965600000000e-01 -1.965600000000e-01
|
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3.931200000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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8.552900000000e-02 8.552900000000e-02 -1.710570000000e-01 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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3.197000000000e-03 0.000000000000e+00 -2.145000000000e-03 0.000000000000e+00
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-2.145000000000e-03 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 5.565500000000e-02 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.772000000000e-03
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.017290000000e-01
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 1.237071000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -6.451690000000e-01
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 2.883300000000e-02
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 4.819900000000e-02 -4.819900000000e-02
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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1.534000000000e-03 -1.534000000000e-03 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 8.810000000000e-02 0.000000000000e+00
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-8.810000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 1.071335000000e+00 -1.071335000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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-5.587330000000e-01 5.587330000000e-01 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
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0.000000000000e+00 0.000000000000e+00 2.497000000000e-02 0.000000000000e+00
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-2.497000000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 -5.318310000000e-01 0.000000000000e+00
|
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0.000000000000e+00 3.287650000000e-01 0.000000000000e+00 0.000000000000e+00
|
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-2.875200000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -3.677950000000e-01
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 2.663500000000e-02 0.000000000000e+00 1.462050000000e-01
|
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0.000000000000e+00 6.538500000000e-02 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 -2.615390000000e-01 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 4.774520000000e-01 0.000000000000e+00
|
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0.000000000000e+00 -6.088260000000e-01 0.000000000000e+00 0.000000000000e+00
|
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6.797100000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 1.232053000000e+00
|
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0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 -7.798830000000e-01 0.000000000000e+00 -2.823400000000e-02
|
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0.000000000000e+00 -1.262700000000e-02 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 5.050700000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 -5.318310000000e-01 0.000000000000e+00 0.000000000000e+00
|
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3.287650000000e-01 0.000000000000e+00 0.000000000000e+00 -2.875200000000e-02
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
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0.000000000000e+00 0.000000000000e+00 -3.677950000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
2.663500000000e-02 0.000000000000e+00 1.462050000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 6.538500000000e-02
|
|
0.000000000000e+00 -2.615390000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 4.774520000000e-01 0.000000000000e+00 0.000000000000e+00
|
|
-6.088260000000e-01 0.000000000000e+00 0.000000000000e+00 6.797100000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 1.232053000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
-7.798830000000e-01 0.000000000000e+00 -2.823400000000e-02 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 -1.262700000000e-02
|
|
0.000000000000e+00 5.050700000000e-02 0.000000000000e+00 0.000000000000e+00
|
|
-2.443236000000e+00 4.138860000000e-01 -7.409480000000e-01 3.405300000000e-02
|
|
2.885123000000e+00 0.000000000000e+00 0.000000000000e+00 2.634914000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 -2.000288000000e+00 0.000000000000e+00
|
|
0.000000000000e+00 1.610370000000e-01 -2.896390000000e-01 -2.896390000000e-01
|
|
5.792780000000e-01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
5.143800000000e-02 5.143800000000e-02 -1.028770000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
9.353500000000e-02 0.000000000000e+00 -6.274500000000e-02 0.000000000000e+00
|
|
-6.274500000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
6.307630000000e-01 6.630650000000e-01 -1.972970000000e-01 4.591800000000e-02
|
|
-1.718780000000e+00 0.000000000000e+00 0.000000000000e+00 6.131050000000e-01
|
|
0.000000000000e+00 0.000000000000e+00 -8.479160000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 1.273246000000e+00 -6.099560000000e-01 -6.099560000000e-01
|
|
1.219911000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
4.179450000000e-01 4.179450000000e-01 -8.358900000000e-01 0.000000000000e+00
|
|
0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
7.733300000000e-02 0.000000000000e+00 -5.187700000000e-02 0.000000000000e+00
|
|
-5.187700000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
|
</coefficient>
|
|
</sposet>
|
|
</sposet_collection>
|
|
<determinantset>
|
|
<slaterdeterminant>
|
|
<determinant sposet="spo-up"/>
|
|
<determinant sposet="spo-dn"/>
|
|
</slaterdeterminant>
|
|
</determinantset>
|
|
</wavefunction>
|
|
<hamiltonian name="h0" type="generic" target="e">
|
|
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
|
|
<pairpot type="coulomb" name="IonIon" source="ion0" target="ion0"/>
|
|
<pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
|
|
<pseudo elementType="H" href="H.BFD.xml"/>
|
|
<pseudo elementType="Li" href="Li.BFD.xml"/>
|
|
</pairpot>
|
|
<estimator type="flux" name="Flux"/>
|
|
</hamiltonian>
|
|
</qmcsystem>
|
|
<qmc method="vmc" move="pbyp">
|
|
<parameter name="walkers" > 1 </parameter>
|
|
<parameter name="blocks" > 3 </parameter>
|
|
<parameter name="steps" > 3 </parameter>
|
|
<parameter name="subSteps" > 2 </parameter>
|
|
<parameter name="timestep" > 0.4 </parameter>
|
|
<parameter name="warmupSteps" > 3 </parameter>
|
|
</qmc>
|
|
</simulation>
|