mirror of https://github.com/QMCPACK/qmcpack.git
33 lines
1.2 KiB
XML
33 lines
1.2 KiB
XML
<?xml version="1.0"?>
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<qmcsystem>
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<simulationcell name="global">
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<parameter name="lattice" units="bohr">
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4.650993958258145 0.000000000000000 0.000000000000000
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-2.325496979129072 4.027878920699780 0.000000000000000
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0.000000000000000 0.000000000000000 12.676093926783608
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</parameter>
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<parameter name="bconds"> p p p </parameter>
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<parameter name="LR_dim_cutoff"> 15 </parameter>
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</simulationcell>
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<particleset name="ion0" size="4">
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<group name="C">
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<parameter name="charge"> 4.00000000000000 </parameter>
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</group>
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<attrib name="ionid" datatype="stringArray"> C C C C </attrib>
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<attrib name="position" datatype="posArray" condition="0">
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0.000000000000000 0.000000000000000 0.000000000000000
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-0.000000000002325 2.685252613801196 0.000000000000000
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0.000000000000000 0.000000000000000 6.338046963391803
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2.325496979131398 1.342626306898584 6.338046963391803
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</attrib>
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</particleset>
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<particleset name="e" random="yes" random_source="ion0">
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<group name="u" size="8">
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<parameter name="charge"> -1 </parameter>
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</group>
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<group name="d" size="8">
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<parameter name="charge"> -1 </parameter>
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</group>
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</particleset>
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</qmcsystem>
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