# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/147e44a8-cd7a-4ff9-8d24-fa3fff6eb6c0/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 KIO4 / I4_1/a (88) / materials id 23562](https://mdr.nims.go.jp/datasets/a126fd58-7089-43f3-af04-a95b9d3b4213) ## 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: "I4_1/a" number: 88 Hall_symbol: "I 4bw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ 0.307297540000000, 0.230940310000000, -1.274537090000000 ]- # 9 (K) - [ 1.377316590000000, -0.064331020000000, 0.000000000000000 ] - [ 0.064331020000000, 1.377316590000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.253192820000000 ]- # 10 (K) - [ 1.377316590000000, -0.064331020000000, 0.000000000000000 ] - [ 0.064331020000000, 1.377316590000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.253192820000000 ]- # 11 (I) - [ 3.164899440000000, 0.111142040000000, -0.000000000000000 ] - [ -0.111142040000000, 3.164899440000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.844955520000000 ]- # 12 (I) - [ 3.164899440000000, 0.111142040000000, -0.000000000000000 ] - [ -0.111142040000000, 3.164899440000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.844955520000000 ]dielectric_constant: - [ 2.778500680000000, -0.000000770000000, 0.000000000000000 ] - [ 0.000000770000000, 2.778500680000000, 0.000000000000000 ] - 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