# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6f0d7f91-daf7-4367-9136-2aa5edde0373/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 Li2SnO3 / C2/c (15) / materials id 3540](https://mdr.nims.go.jp/datasets/8aba781e-51ee-48e8-ba56-ef4be3628a71) ## 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:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: O # 76 coordinates: [ 0.805890115000000, 0.083194550000000, 0.631913600000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 77 coordinates: [ 0.055890115000000, 0.416805450000000, 0.131913600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.555890115000000, 0.416805450000000, 0.131913600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.183158680000000, 0.408343320000000, 0.870438950000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.683158680000000, 0.408343320000000, 0.870438950000000 ] mass: 15.999400 reduced_to: 55 - symbol: Sn # 81 coordinates: [ 0.000000000000000, 0.582845680000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 81 - symbol: Sn # 82 coordinates: [ 0.500000000000000, 0.582845680000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 81 - symbol: Sn # 83 coordinates: [ 0.250000000000000, 0.750295540000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 83 - symbol: Sn # 84 coordinates: [ 0.750000000000000, 0.750295540000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 83 - 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