# Fileset [phono3py_params.yaml.xz](https://mdr.nims.go.jp/filesets/19e7459d-d915-41fb-b658-91c11c26eb32/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 wurtzite-BeSe](https://mdr.nims.go.jp/datasets/80be3b1e-f15f-4124-bcd2-524134df45d0) ## 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: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.621115428233425, 0.000000000000000, 0.000000000000000 ] # a - [ -1.810557714116713, 3.135977950885912, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.969862045311865 ] # c points: - 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symbol: Se # 68 coordinates: [ 0.555555555555556, 0.444444444444444, 0.938074685000655 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 69 coordinates: [ 0.888888888888889, 0.444444444444444, 0.938074685000655 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 70 coordinates: [ 0.222222222222222, 0.777777777777778, 0.938074685000655 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 71 coordinates: [ 0.555555555555556, 0.777777777777778, 0.938074685000655 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 72 coordinates: [ 0.888888888888889, 0.777777777777778, 0.938074685000655 ] mass: 78.960000 reduced_to: 55phonon_supercell_matrix:- [ 5, 0, 0 ]- [ 0, 5, 0 ]- [ 0, 0, 3 ]phonon_primitive_cell: lattice: - [ 3.621115428233425, 0.000000000000000, 0.000000000000000 ] # a - [ -1.810557714116713, 3.135977950885912, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.969862045311865 ] # c points: - symbol: Be # 1 coordinates: [ 0.333333333333333, 0.666666666666667, 0.002293619998686 ] mass: 9.012182 - 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