109 lines
6.6 KiB
YAML
109 lines
6.6 KiB
YAML
PrimativeCell:
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- [ 3.0799000263, 0.0000000000, 0.0000000000 ]
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- [ -1.5399500132, 2.6672716639, 0.0000000000 ]
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- [ 0.0000000000, 0.0000000000, 10.0822000504 ]
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SuperCellTransformation:
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- [ 3, 0, 0 ]
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- [ 2, 4, 0 ]
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- [ 0, 0, 1 ]
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PrimativeCellBasisNumber: [ 8, 8, 8 ]
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AtomPositionBySuperCell:
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QpointDataInputFile: band.hdf5
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QpointDataOutputFile:
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- Filename: unfold-output.zpp
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