# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/87ab364f-3d48-406c-874e-3cfb8428aebb/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 Li7PN4 / P-43n (218) / materials id 14712](https://mdr.nims.go.jp/datasets/1060c1bd-f151-4c74-9c1e-1ab66f0a3135) ## 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: "P-43n" number: 218 Hall_symbol: "P -4n 2 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.291053750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.291053750000000, 0.000000000000000 ] # b - 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symbol: Li # 36 coordinates: [ 0.253341020000000, 0.763041970000000, 0.024240890000000 ] mass: 6.941000 reduced_to: 36 - symbol: Li # 37 coordinates: [ 0.746658980000000, 0.236958030000000, 0.024240890000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.746658980000000, 0.763041970000000, 0.975759110000000 ] mass: 6.941000 reduced_to: 38 - symbol: Li # 39 coordinates: [ 0.263041970000000, 0.246658980000000, 0.475759110000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 40 coordinates: [ 0.736958030000000, 0.753341020000000, 0.475759110000000 ] mass: 6.941000 reduced_to: 40 - symbol: Li # 41 coordinates: [ 0.524240890000000, 0.736958030000000, 0.246658980000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 42 coordinates: [ 0.475759110000000, 0.736958030000000, 0.753341020000000 ] mass: 6.941000 reduced_to: 42 - symbol: Li # 43 coordinates: [ 0.753341020000000, 0.524240890000000, 0.263041970000000 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 44 coordinates: [ 0.753341020000000, 0.475759110000000, 0.736958030000000 ] mass: 6.941000 reduced_to: 44 - 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