mirror of https://github.com/QMCPACK/qmcpack.git
33 lines
5.0 KiB
XML
33 lines
5.0 KiB
XML
<?xml version="1.0"?>
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<qmcsystem>
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<sposet name="downdet">
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<center num="0">
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<orbital num="0" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-5.95967718922813e+00" a2="-2.37348265005168e+00" a3="1.12051456343481e+01" a4="-4.48041265248774e+02" a5="2.20674576573808e+03"/>
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<orbital num="1" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.14525919625632e-01" a1="2.04994113871510e+00" a2="-5.99588328847492e+00" a3="8.33516333001586e-01" a4="1.40437507249476e+00" a5="-4.56577540073716e+00"/>
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<orbital num="2" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.29113655860296e-01" a1="1.58303012421468e-01" a2="-5.79110388602063e+00" a3="-1.66642662481150e+00" a4="-2.61018714541670e+00" a5="-2.17191101452767e+01"/>
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<orbital num="3" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.20300361391761e-01" a1="-3.68527582645854e-02" a2="-5.91195476406957e+00" a3="-2.08418109524933e+00" a4="-3.31384771725841e+00" a5="-2.59177815896875e+01"/>
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<orbital num="4" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.29017584866368e-01" a1="-6.05198606439138e-01" a2="-5.67338307942673e+00" a3="-1.45027002493114e+00" a4="-2.34733056661987e+00" a5="-1.89787176248695e+01"/>
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<orbital num="5" C="4.93421900922524e-14" sg="-1.00000000000000e+00" rc="1.07408170993997e-01" a1="-5.82297968607903e+00" a2="-6.00000000009122e+00" a3="-1.35606279030063e+04" a4="1.69778571044232e+05" a5="-5.95111803780006e+05"/>
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<orbital num="6" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.44041945144621e-01" a1="-1.63809387285417e+01" a2="-3.21521279164990e+00" a3="3.03068476122019e+00" a4="-9.58217972208231e+00" a5="3.84909968952095e+01"/>
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</center>
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<center num="1">
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<orbital num="0" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="9.82363324445644e-02" a1="2.28937381372933e+00" a2="-6.99622686685088e+00" a3="8.66992393092900e-01" a4="4.76346652777957e+00" a5="-2.11962730510043e+01"/>
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<orbital num="1" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.21003746392909e-01" a1="-4.45192535481663e+00" a2="-4.99715807324273e+00" a3="7.35128072005914e+00" a4="-1.35802419535441e+02" a5="5.91577196354248e+02"/>
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<orbital num="2" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05945298864237e-01" a1="5.89792112470724e-01" a2="-6.80911308158552e+00" a3="-2.86641738414910e+00" a4="-4.57615625670129e+00" a5="-4.68704383861103e+01"/>
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<orbital num="3" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.00565875498290e-01" a1="-4.18095060975017e-01" a2="-6.98054181410630e+00" a3="-3.61195666866365e+00" a4="-4.35207451995593e+00" a5="-6.56934181402088e+01"/>
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<orbital num="4" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="9.88727421021404e-02" a1="8.03764097508105e-02" a2="-7.02637900404626e+00" a3="-3.85200755017913e+00" a4="-3.89178919801358e+00" a5="-7.37669224155668e+01"/>
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<orbital num="5" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.16912696136913e-01" a1="-2.86309579518173e+01" a2="-5.42207135768277e+00" a3="-2.75715607204107e+00" a4="-1.31117449782441e+02" a5="4.33575965860720e+02"/>
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<orbital num="6" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="9.70088906735383e-02" a1="-1.40421711572512e+01" a2="-7.00847758766776e+00" a3="-3.61349705913914e+00" a4="-6.85230218412809e+00" a5="-5.47392565003032e+01"/>
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</center>
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<center num="2">
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<orbital num="0" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.72792533775155e-02" a1="-5.42568927376808e+00" a2="-2.16564402117970e-01" a3="-1.84145052456081e+00" a4="-1.55301870823527e+00" a5="6.65595459899831e+00"/>
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<orbital num="1" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="5.99623449391508e-02" a1="-8.97630444181446e+00" a2="-5.88562091255524e+00" a3="-1.86887291365078e+02" a4="3.94292375563499e+03" a5="-3.81783727349550e+04"/>
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<orbital num="2" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.70163984885716e-01" a1="-3.80283011563269e+00" a2="-2.13271526990168e+00" a3="-1.40863067110166e+00" a4="-9.27669861150363e-01" a5="-1.86568165473204e+00"/>
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<orbital num="3" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.72196018876756e-01" a1="-9.80106237640972e-01" a2="-1.23418777072793e+00" a3="-1.93679581348965e-01" a4="-1.01373736518123e-01" a5="-1.36451152507373e-01"/>
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<orbital num="4" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.73868353423805e-01" a1="-2.06107803221897e+00" a2="-9.23688258288992e-01" a3="-3.73275213611318e-02" a4="-3.64912586234263e-02" a5="-8.40297070791265e-02"/>
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<orbital num="5" C="7.76307129112411e-14" sg="-1.00000000000000e+00" rc="1.18914853704771e-01" a1="-6.29139719849660e+00" a2="-9.99999999931598e-01" a3="-1.06156038081100e+04" a4="1.19194902001024e+05" a5="-3.76044609484196e+05"/>
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<orbital num="6" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.62231377618150e-01" a1="-1.59517388649582e+01" a2="-7.07822248373289e-01" a3="-2.12507089223643e-01" a4="-7.10592181390001e-02" a5="-1.12164214954565e-01"/>
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</center>
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</sposet>
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</qmcsystem>
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