# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/85072e50-ffc6-4cc8-8758-149e41e43aec/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 KNaSi2O5 / P2_1/c (14) / materials id 558129](https://mdr.nims.go.jp/datasets/b2e9238b-e5bb-4e63-a67f-7b72bf755c49) ## 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:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.866936850000000, 0.000000000000000, -0.000722260000000 ] # a - [ 0.000000000000000, 13.623184360000000, 0.000000000000000 ] # b - 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symbol: K # 16 coordinates: [ 0.848926820000000, 0.700230150000000, 0.893492680000000 ] mass: 39.098300 reduced_to: 13 - symbol: Na # 17 coordinates: [ 0.388710770000000, 0.406555810000000, 0.486136565000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.888710770000000, 0.406555810000000, 0.486136565000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.388710770000000, 0.406555810000000, 0.986136565000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 20 coordinates: [ 0.888710770000000, 0.406555810000000, 0.986136565000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 21 coordinates: [ 0.111289230000000, 0.593444190000000, 0.013863435000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.611289230000000, 0.593444190000000, 0.013863435000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.111289230000000, 0.593444190000000, 0.513863435000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 24 coordinates: [ 0.611289230000000, 0.593444190000000, 0.513863435000000 ] mass: 22.989769 reduced_to: 21 - 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