# Fileset [phono3py_params.yaml.xz](https://mdr.nims.go.jp/filesets/b787c0ba-1032-4e72-ba84-45170895b243/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Phono3py input data to calculate lattice thermal conductivities for wurtzite-InN (PBE)](https://mdr.nims.go.jp/datasets/4794d5c6-f4de-4ed0-94a5-1f69504141f9) ## Fulltext phono3py: version: "3.3.1" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.583499379199655, 0.000000000000000, 0.000000000000000 ] # a - [ -1.791749689599827, 3.103401496832666, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.787170958755009 ] # c points: - symbol: In # 1 coordinates: [ 0.333333333333336, 0.666666666666664, 0.999704713081817 ] mass: 114.818000 - 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symbol: N # 69 coordinates: [ 0.888888888888888, 0.444444444444445, 0.939369136110540 ] mass: 14.006700 reduced_to: 55 - symbol: N # 70 coordinates: [ 0.222222222222221, 0.777777777777779, 0.939369136110540 ] mass: 14.006700 reduced_to: 55 - symbol: N # 71 coordinates: [ 0.555555555555555, 0.777777777777779, 0.939369136110540 ] mass: 14.006700 reduced_to: 55 - symbol: N # 72 coordinates: [ 0.888888888888888, 0.777777777777779, 0.939369136110540 ] mass: 14.006700 reduced_to: 55phonon_supercell_matrix:- [ 5, 0, 0 ]- [ 0, 5, 0 ]- [ 0, 0, 3 ]phonon_primitive_cell: lattice: - [ 3.583499379199655, 0.000000000000000, 0.000000000000000 ] # a - [ -1.791749689599827, 3.103401496832666, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.787170958755009 ] # c points: - symbol: In # 1 coordinates: [ 0.333333333333336, 0.666666666666664, 0.999704713081817 ] mass: 114.818000 - symbol: In # 2 coordinates: [ 0.666666666666664, 0.333333333333336, 0.499704713081817 ] mass: 114.818000 - symbol: N # 3 coordinates: [ 0.333333333333336, 0.666666666666664, 0.378738272221079 ] mass: 14.006700 - 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