# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/83d50591-68ed-4177-b01e-82067192ec42/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 Na2PH11O8 / Pmn2_1 (31) / materials id 720570](https://mdr.nims.go.jp/datasets/923f3a34-aa95-4d7e-b8c7-f8ee9faa00ac) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.098332180000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.353327270000000, 0.000000000000000 ] # b - 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symbol: O # 29 coordinates: [ 0.500000000000000, 0.385227150000000, 0.516344550000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.614772850000000, 0.016344550000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.320050170000000, 0.041272460000000, 0.564894600000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.679949830000000, 0.041272460000000, 0.564894600000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.179949830000000, 0.958727540000000, 0.064894600000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.820050170000000, 0.958727540000000, 0.064894600000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.271940910000000, 0.639347820000000, 0.676499650000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.728059090000000, 0.639347820000000, 0.676499650000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.228059090000000, 0.360652180000000, 0.176499650000000 ] mass: 15.999400 reduced_to: 37 - 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