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13 lines
788 B
YAML
13 lines
788 B
YAML
PrimativeCell:
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- [ 1.548010265167714, -2.681232429908652, 0.000000000000000 ] # a
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- [ 1.548010265167714, 2.681232429908652, 0.000000000000000 ] # b
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- [ 0.000000000000000, 0.000000000000000, 5.061224103556595 ] # c
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SuperCellMultiplier: [ 3, 1, 1 ]
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PrimativeCellBasisNumber: [ 8, 8, 8 ]
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AtomPositionInputFile: { FileName: "/home/chn/Documents/lammps-SiC/14/14.2/14.2.2/14.2.2.5/band.yaml", Format: "yaml" }
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QPointDataInputFile: { FileName: "/home/chn/Documents/lammps-SiC/14/14.2/14.2.2/14.2.2.5/band.yaml", Format: "yaml" }
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QPointDataOutputFile:
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- { FileName: "test/14.2.2.5.result.yaml", Format: "yaml" }
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- { FileName: "test/14.2.2.5.result.human-readable.yaml", Format: "yaml-human-readable" }
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- { FileName: "test/14.2.2.5.result.zpp", Format: "zpp" }
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