# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f3fa0140-aad2-4665-a6cd-e3aea940c37a/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 LiYF4 / P2/c (13) / materials id 3941](https://mdr.nims.go.jp/datasets/2c01a981-f89d-4eea-b338-a1156a732f25) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2/c" number: 13 Hall_symbol: "-P 2yc"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.027410750000000, 0.000000000000000, 0.032121650000000 ] # a - [ 0.000000000000000, 5.262598460000000, 0.000000000000000 ] # b - 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symbol: Y # 124 coordinates: [ 0.166666666666667, 0.625049560000000, 0.375000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 125 coordinates: [ 0.500000000000000, 0.625049560000000, 0.375000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 126 coordinates: [ 0.833333333333333, 0.625049560000000, 0.375000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 127 coordinates: [ 0.166666666666667, 0.125049560000000, 0.875000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 128 coordinates: [ 0.500000000000000, 0.125049560000000, 0.875000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 129 coordinates: [ 0.833333333333333, 0.125049560000000, 0.875000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 130 coordinates: [ 0.166666666666667, 0.625049560000000, 0.875000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 131 coordinates: [ 0.500000000000000, 0.625049560000000, 0.875000000000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 132 coordinates: [ 0.833333333333333, 0.625049560000000, 0.875000000000000 ] mass: 88.905850 reduced_to: 121 - 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