# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0267c5ab-55dd-410a-bbc7-eece5f75cc02/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 Na5P3O10 / C2/c (15) / materials id 557529](https://mdr.nims.go.jp/datasets/009832dc-75b4-4072-a5fb-2145ddf10905) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Na # 9 coordinates: [ 0.307421630000000, 0.845486270000000, 0.566122910000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: P # 11 coordinates: [ 0.354263580000000, 0.808337140000000, 0.400737410000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.808337140000000, 0.354263580000000, 0.900737410000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.399024030000000, 0.600975970000000, 0.250000000000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.600975970000000, 0.399024030000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.191662860000000, 0.645736420000000, 0.099262590000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.645736420000000, 0.191662860000000, 0.599262590000000 ] mass: 30.973762 - symbol: O # 17 coordinates: [ 0.333762950000000, 0.435286630000000, 0.597165020000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.761852110000000, 0.154564590000000, 0.686417100000000 ] mass: 15.999400 - 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