# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c7525b1a-9d5c-426c-ab85-0980253070f7/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 KNaGeO3 / Pna2_1 (33) / materials id 558085](https://mdr.nims.go.jp/datasets/abace15f-06ca-4859-80db-c33af96cfde3) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 6.934082350000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.703114299999999, 0.000000000000000 ] # b - 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symbol: O # 138 coordinates: [ 0.668333655000000, 0.461794440000000, 0.686028766666667 ] mass: 15.999400 reduced_to: 133 - symbol: O # 139 coordinates: [ 0.317022270000000, 0.792064810000000, 0.022558676666667 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.817022270000000, 0.792064810000000, 0.022558676666667 ] mass: 15.999400 reduced_to: 139 - symbol: O # 141 coordinates: [ 0.317022270000000, 0.792064810000000, 0.355892010000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 142 coordinates: [ 0.817022270000000, 0.792064810000000, 0.355892010000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 143 coordinates: [ 0.317022270000000, 0.792064810000000, 0.689225343333333 ] mass: 15.999400 reduced_to: 139 - symbol: O # 144 coordinates: [ 0.817022270000000, 0.792064810000000, 0.689225343333333 ] mass: 15.999400 reduced_to: 139born_effective_charge:- # 1 (K) - [ 1.179130220000000, 0.062291720000000, 0.005725800000000 ] - [ 0.140940530000000, 1.245872530000000, 0.007113900000000 ] - 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