# Fileset [phono3py_params.yaml.xz](https://mdr.nims.go.jp/filesets/f759ce19-c513-403a-a041-509738ed8e60/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 conductvities for zincblende-GaAs](https://mdr.nims.go.jp/datasets/5e91daa7-aa59-44df-a760-e75918c124f6) ## Fulltext phono3py: version: 2.3.0 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652physical_unit: atomic_mass: "AMU"space_group: type: "F-43m" number: 216 Hall_symbol: "F -4 2 3"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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symbol: As # 64 coordinates: [ 0.875000000000000, 0.625000000000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 33phonon_supercell_matrix:- [ 4, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 4 ]phonon_primitive_cell: lattice: - [ 0.000000000000000, 2.829186302981511, 2.829186302981511 ] # a - [ 2.829186302981511, 0.000000000000000, 2.829186302981511 ] # b - [ 2.829186302981511, 2.829186302981511, 0.000000000000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: As # 2 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 74.921600 reciprocal_lattice: # without 2pi - [ -0.176729259389203, 0.176729259389203, 0.176729259389203 ] # a* - [ 0.176729259389203, -0.176729259389203, 0.176729259389203 ] # b* - [ 0.176729259389203, 0.176729259389203, -0.176729259389203 ] # c*phonon_supercell: lattice: - [ 22.633490423852084, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.633490423852084, 0.000000000000000 ] # b - 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