# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9ce330b0-2b0d-46ad-877b-461af60e3ecd/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 KIO3 / R3m (160) / materials id 552729](https://mdr.nims.go.jp/datasets/a3b9e505-9dcf-493a-b308-c64eeb1222ae) ## 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: "R3m" number: 160 Hall_symbol: "R 3 -2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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symbol: I # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.421119390000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.921119390000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.921119390000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.921119390000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.921119390000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.087786055000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.087786055000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.087786055000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.087786055000000 ] mass: 126.904470 reduced_to: 97 - 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