# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/43c4f5d8-0297-4579-8bfa-b585ca5efb77/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 SrSnO3 / I4/mcm (140) / materials id 12867](https://mdr.nims.go.jp/datasets/24167c4b-5c6b-4212-8794-3955047e82e7) ## 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: "I4/mcm" number: 140 Hall_symbol: "-I 4 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Sn # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 118.710000 - symbol: Sn # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.176392533190473, 0.121161164351084 ] # a* - [ 0.176392533190473, 0.000000000000000, 0.121161164351084 ] # b* - [ 0.176392533190473, 0.176392533190473, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.669174210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.669174210000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.253469709999999 ] # c points: - symbol: O # 1 coordinates: [ 0.807163080000000, 0.307163080000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.692836920000000, 0.807163080000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.307163080000000, 0.192836920000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - 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