# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/79fd9f87-1106-4a45-8290-3f8b20e4dd19/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 [Ab-initio phonon calculation for K2Te2Pt / Immm (71) / materials id 8623](https://mdr.nims.go.jp/datasets/56c42514-34d4-4de9-a865-cc85f753bd6e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Immm" number: 71 Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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[ 0.000000000000000, 7.777042260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.335429599999999 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.793571230000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.206428770000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.293571230000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.706428770000000 ] mass: 39.098300 reduced_to: 2 - symbol: Te # 5 coordinates: [ 0.500000000000000, 0.222743420000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 6 coordinates: [ 0.500000000000000, 0.777256580000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 6 - symbol: Te # 7 coordinates: [ 0.000000000000000, 0.722743420000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 8 coordinates: [ 0.000000000000000, 0.277256580000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 6 - 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