| 1 |
<?xml version="1.0" encoding="UTF-8" ?> |
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<ZCodeParameters> |
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<BLDConographParameters> |
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<LatticeParameter> |
| 5 |
<!-- Parameters are not necessary to be Niggli-reduced. --> |
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<a> 9.1568e+000 </a> |
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<b> 9.1712e+000 </b> |
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<c> 2.0946e+001 </c> |
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<alpha> 8.1634e+001 </alpha> |
| 10 |
<beta> 8.1751e+001 </beta> |
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<gamma> 8.0086e+001 </gamma> |
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</LatticeParameter> |
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|
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<Resolution> |
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<!-- This parameter is used to judge if a lattice and another lattice with higher symmetry |
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are equivalent or not. |
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For Delone reduced metric tensors (sij) and (tij) of two reciprocal lattices, |
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two lattices are judged to be equivalent if the following relative differences are smaller than this parameter, |
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1. | sii - tii | / max{sii, tii}. |
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2. | (sii + sjj - sij * 2) - (tii + tjj - tij * 2) | / max{sii + sjj - sij * 2, tii + tjj - tij * 2}. |
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--> |
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0.1 |
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</Resolution> |
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|
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<DoesPrudentSymmetrySearch> |
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<!-- 0:quick search, 1:prudent search) --> |
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0 |
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</DoesPrudentSymmetrySearch> |
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|
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<!-- Bravais types to execute Bravais lattice determination (0:No, 1:Yes) --> |
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<OutputTriclinic> 1 </OutputTriclinic> |
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<OutputMonoclinicP> 1 </OutputMonoclinicP> |
| 33 |
<OutputMonoclinicB> 1 </OutputMonoclinicB> |
| 34 |
<OutputOrthorhombicP> 1 </OutputOrthorhombicP> |
| 35 |
<OutputOrthorhombicB> 1 </OutputOrthorhombicB> |
| 36 |
<OutputOrthorhombicI> 1 </OutputOrthorhombicI> |
| 37 |
<OutputOrthorhombicF> 1 </OutputOrthorhombicF> |
| 38 |
<OutputTetragonalP> 1 </OutputTetragonalP> |
| 39 |
<OutputTetragonalI> 1 </OutputTetragonalI> |
| 40 |
<OutputRhombohedral> 1 </OutputRhombohedral> |
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<OutputHexagonal> 1 </OutputHexagonal> |
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<OutputCubicP> 1 </OutputCubicP> |
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<OutputCubicI> 1 </OutputCubicI> |
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<OutputCubicF> 1 </OutputCubicF> |
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|
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<AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" --> |
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Hexagonal |
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</AxisForRhombohedralSymmetry> |
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<AxisForBaseCenteredSymmetry> <!-- "A", "B", or "C" --> |
| 50 |
B |
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</AxisForBaseCenteredSymmetry> |
| 52 |
</BLDConographParameters> |
| 53 |
</ZCodeParameters> |
| 54 |
|
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