mirror of https://github.com/QMCPACK/qmcpack.git
25 lines
704 B
XML
25 lines
704 B
XML
<?xml version="1.0"?>
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<qmcsystem>
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<particleset name="ion0" size="1">
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<group name="O">
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<parameter name="charge">8</parameter>
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<parameter name="valence">8</parameter>
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<parameter name="atomicnumber">8</parameter>
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</group>
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<attrib name="position" datatype="posArray">
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0.0000000000e+00 0.0000000000e+00 0.0000000000e+00
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</attrib>
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<attrib name="ionid" datatype="stringArray">
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O
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</attrib>
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</particleset>
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<particleset name="e" random="yes" randomsrc="ion0">
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<group name="u" size="5">
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<parameter name="charge">-1</parameter>
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</group>
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<group name="d" size="3">
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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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