# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6e3ae831-2754-4318-a33a-1e47761a38a1/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 NaSrAlF6 / Pna2_1 (33) / materials id 14722](https://mdr.nims.go.jp/datasets/20d86627-e6d2-433b-84e9-e6c8e608bf3a) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 18.242911289999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.304412790000000, 0.000000000000000 ] # b - 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symbol: Al # 57 coordinates: [ 0.994030310000000, 0.737745730000000, 0.898307740000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 58 coordinates: [ 0.005969690000000, 0.262254270000000, 0.398307740000000 ] mass: 26.981539 reduced_to: 58 - symbol: Al # 59 coordinates: [ 0.494030310000000, 0.762254270000000, 0.898307740000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 60 coordinates: [ 0.505969690000000, 0.237745730000000, 0.398307740000000 ] mass: 26.981539 reduced_to: 60 - symbol: Al # 61 coordinates: [ 0.253940640000000, 0.251484660000000, 0.742175980000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 62 coordinates: [ 0.746059360000000, 0.748515340000000, 0.242175980000000 ] mass: 26.981539 reduced_to: 62 - symbol: Al # 63 coordinates: [ 0.753940640000000, 0.248515340000000, 0.742175980000000 ] mass: 26.981539 reduced_to: 63 - symbol: Al # 64 coordinates: [ 0.246059360000000, 0.751484660000000, 0.242175980000000 ] mass: 26.981539 reduced_to: 64 - symbol: Sr # 65 coordinates: [ 0.133983710000000, 0.752532840000000, 0.639967410000000 ] mass: 87.620000 reduced_to: 65 - 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