# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2e92a459-94f5-46ca-b87e-795537cf2109/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 RbClO4 / Pnma (62) / materials id 28433](https://mdr.nims.go.jp/datasets/064798e7-d62c-40b8-b618-4c62beb3817d) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.300972480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.800515610000000, 0.000000000000000 ] # b - 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[ -0.038469330000000, -0.485861150000000, -1.109388480000000 ]- # 4 (O) - [ -0.775351560000000, 0.068979490000000, -0.087396820000000 ] - [ 0.060358570000000, -1.522262690000000, 0.521288040000000 ] - [ -0.038469330000000, 0.485861150000000, -1.109388480000000 ]- # 5 (O) - [ -0.775351560000000, -0.068979490000000, 0.087396820000000 ] - [ -0.060358570000000, -1.522262690000000, 0.521288040000000 ] - [ 0.038469330000000, 0.485861150000000, -1.109388480000000 ]- # 6 (O) - [ -0.775351560000000, 0.068979490000000, 0.087396820000000 ] - [ 0.060358570000000, -1.522262690000000, -0.521288040000000 ] - [ 0.038469330000000, -0.485861150000000, -1.109388480000000 ]- # 7 (O) - [ -0.775351560000000, -0.068979490000000, -0.087396820000000 ] - [ -0.060358570000000, -1.522262690000000, -0.521288040000000 ] - [ -0.038469330000000, -0.485861150000000, -1.109388480000000 ]- # 8 (O) - [ -0.775351560000000, 0.068979490000000, -0.087396820000000 ] - [ 0.060358570000000, -1.522262690000000, 0.521288040000000 ] - 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