# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cccc229e-bedd-4317-83c4-9e317b17ac3c/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 Na2TeO4 / P2_1/c (14) / materials id 560613](https://mdr.nims.go.jp/datasets/e5c6852e-59e6-49d0-aedc-548efc8e16b3) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.656816080000000, 0.000000000000000, 0.010879740000000 ] # a - [ 0.000000000000000, 5.198761310000000, 0.000000000000000 ] # b - 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symbol: Na # 32 coordinates: [ 0.871000570000000, 0.877646970000000, 0.467027860000000 ] mass: 22.989769 reduced_to: 31 - symbol: Te # 33 coordinates: [ 0.291385960000000, 0.137826445000000, 0.816322070000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.291385960000000, 0.637826445000000, 0.816322070000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 35 coordinates: [ 0.708614040000000, 0.362173555000000, 0.183677930000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.708614040000000, 0.862173555000000, 0.183677930000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 37 coordinates: [ 0.708614040000000, 0.387826445000000, 0.683677930000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.708614040000000, 0.887826445000000, 0.683677930000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 39 coordinates: [ 0.223384280000000, 0.361952980000000, 0.422301960000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.223384280000000, 0.861952980000000, 0.422301960000000 ] mass: 127.600000 reduced_to: 39 - 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