# Fileset [phono3py_params.yaml.xz](https://mdr.nims.go.jp/filesets/4e49b771-67f8-4ed5-ade4-2acb06350755/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-GaP](https://mdr.nims.go.jp/datasets/3969aea9-513d-4b4d-98aa-ae7f09eacbac) ## 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: P # 64 coordinates: [ 0.875000000000000, 0.625000000000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 33phonon_supercell_matrix:- [ 4, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 4 ]phonon_primitive_cell: lattice: - [ 0.000000000000000, 2.718320998394067, 2.718320998394067 ] # a - [ 2.718320998394067, 0.000000000000000, 2.718320998394067 ] # b - [ 2.718320998394067, 2.718320998394067, 0.000000000000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: P # 2 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ -0.183937070086789, 0.183937070086789, 0.183937070086789 ] # a* - [ 0.183937070086789, -0.183937070086789, 0.183937070086789 ] # b* - [ 0.183937070086789, 0.183937070086789, -0.183937070086789 ] # c*phonon_supercell: lattice: - [ 21.746567987152538, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 21.746567987152538, 0.000000000000000 ] # b - 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