mirror of https://github.com/QMCPACK/qmcpack.git
31 lines
939 B
XML
31 lines
939 B
XML
<?xml version="1.0"?>
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<qmcsystem>
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<particleset name="ion0" size="2">
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<group name="Li">
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<parameter name="charge">3</parameter>
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<parameter name="valence">3</parameter>
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<parameter name="atomicnumber">3</parameter>
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</group>
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<group name="H">
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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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</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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0.0000000000e+00 0.0000000000e+00 3.0139239778e+00
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</attrib>
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<attrib name="ionid" datatype="stringArray">
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Li H
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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="2">
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<parameter name="charge">-1</parameter>
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</group>
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<group name="d" size="2">
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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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