# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/40f2d01c-ebc6-4e76-b312-f4e9d1b04058/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 Sb2O5 / C2/c (15) / materials id 1705](https://mdr.nims.go.jp/datasets/5d4025d2-3f04-423f-829e-f01e330f0276) ## 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: "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, 2 ]primitive_cell: lattice: - 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symbol: Sb # 105 coordinates: [ 0.637953790000000, 0.370079305000000, 0.390057445000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 106 coordinates: [ 0.637953790000000, 0.870079305000000, 0.390057445000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 107 coordinates: [ 0.637953790000000, 0.370079305000000, 0.890057445000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 108 coordinates: [ 0.637953790000000, 0.870079305000000, 0.890057445000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 109 coordinates: [ 0.862046210000000, 0.120079305000000, 0.359942555000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 110 coordinates: [ 0.862046210000000, 0.620079305000000, 0.359942555000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 111 coordinates: [ 0.862046210000000, 0.120079305000000, 0.859942555000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 112 coordinates: [ 0.862046210000000, 0.620079305000000, 0.859942555000000 ] mass: 121.760000 reduced_to: 93born_effective_charge:- # 1 (O) - 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