# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/41b3641e-fa7d-425e-b030-0a3604074e39/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 K2Li14Zr3O14 / Immm (71) / materials id 17208](https://mdr.nims.go.jp/datasets/13e9e112-0e7e-40f4-89a8-b179d7a5bb5e) ## 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: "Immm" number: 71 Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Li # 9 coordinates: [ 0.087582040000000, 0.229805010000000, 0.857777030000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.372027980000000, 0.229805010000000, 0.142222970000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.627972020000000, 0.770194990000000, 0.857777030000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.204605350000000, 0.593093140000000, 0.068832930000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.795394650000000, 0.864227580000000, 0.388487790000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.475739790000000, 0.406906860000000, 0.611512210000000 ] mass: 6.941000 - symbol: O # 15 coordinates: [ 0.551451440000000, 0.872032650000000, 0.679418790000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.919767110000000, 0.629293170000000, 0.290473940000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.338819230000000, 0.629293170000000, 0.709526060000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.080232890000000, 0.370706830000000, 0.709526060000000 ] mass: 15.999400 - 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