# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d4787df7-d0a4-4481-8f0e-9724ac9b2dd4/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 Cs3As5O9 / P31m (157) / materials id 30300](https://mdr.nims.go.jp/datasets/fa08ce30-5b24-410e-9f42-1b210934a86f) ## 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: "P31m" number: 157 Hall_symbol: "P 3 -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.464715480000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.232357750000000, 7.330658650000000, 0.000000000000000 ] # b - 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symbol: Cs # 130 coordinates: [ 0.687364955000000, 0.000000000000000, 0.499576650000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 131 coordinates: [ 0.187364955000000, 0.500000000000000, 0.499576650000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 132 coordinates: [ 0.687364955000000, 0.500000000000000, 0.499576650000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 133 coordinates: [ 0.187364955000000, 0.000000000000000, 0.999576650000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 134 coordinates: [ 0.687364955000000, 0.000000000000000, 0.999576650000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 135 coordinates: [ 0.187364955000000, 0.500000000000000, 0.999576650000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 136 coordinates: [ 0.687364955000000, 0.500000000000000, 0.999576650000000 ] mass: 132.905452 reduced_to: 129born_effective_charge:- # 1 (O) - [ -1.884895370000000, 1.050921430000000, -0.444712560000000 ] - [ 1.676341340000000, -2.669915640000000, 0.201331850000000 ] - 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