# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/40ba4a8a-eedc-479a-9250-2bb7cd9c0c22/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 Dy2SiO5 / C2/c (15) / materials id 768317](https://mdr.nims.go.jp/datasets/211c26ed-be6b-4863-8721-90b3b3063903) ## 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: - [ 7.211794005000000, -3.340088275000000, 0.023001660000000 ] # a - [ 7.211794005000000, 3.340088275000000, 0.023001660000000 ] # b - [ -5.544365850000000, 0.000000000000000, 8.722492089999999 ] # c points: - symbol: Dy # 1 coordinates: [ 0.768961290000000, 0.511062490000000, 0.333266230000000 ] mass: 162.500000 - symbol: Dy # 2 coordinates: [ 0.219805110000000, 0.708216830000000, 0.037038160000000 ] mass: 162.500000 - symbol: Dy # 3 coordinates: [ 0.291783170000000, 0.780194890000000, 0.462961840000000 ] mass: 162.500000 - symbol: Dy # 4 coordinates: [ 0.511062490000000, 0.768961290000000, 0.833266230000000 ] mass: 162.500000 - symbol: Dy # 5 coordinates: [ 0.488937510000000, 0.231038710000000, 0.166733770000000 ] mass: 162.500000 - symbol: Dy # 6 coordinates: [ 0.708216830000000, 0.219805110000000, 0.537038160000000 ] mass: 162.500000 - symbol: Dy # 7 coordinates: [ 0.780194890000000, 0.291783170000000, 0.962961840000000 ] mass: 162.500000 - symbol: Dy # 8 coordinates: [ 0.231038710000000, 0.488937510000000, 0.666733770000000 ] mass: 162.500000 - 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symbol: Dy # 17 coordinates: [ 0.140011890000000, 0.185525300000000, 0.333266230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 18 coordinates: [ 0.140011890000000, 0.685525300000000, 0.333266230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 19 coordinates: [ 0.964010970000000, 0.372102930000000, 0.037038160000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 20 coordinates: [ 0.964010970000000, 0.872102930000000, 0.037038160000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 21 coordinates: [ 0.035989030000000, 0.372102930000000, 0.462961840000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 22 coordinates: [ 0.035989030000000, 0.872102930000000, 0.462961840000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 23 coordinates: [ 0.140011890000000, 0.314474700000000, 0.833266230000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 24 coordinates: [ 0.140011890000000, 0.814474700000000, 0.833266230000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 25 coordinates: [ 0.859988110000000, 0.185525300000000, 0.166733770000000 ] mass: 162.500000 reduced_to: 9 - 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