# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0e320173-c74d-481b-a333-8d3e1ad08dc7/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 Na2AlZnF7 / Imma (74) / materials id 559982](https://mdr.nims.go.jp/datasets/5c7518f0-0a2b-44f6-bc93-101619c4bb3b) ## 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: "Imma" number: 74 Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -3.543309640000000, 5.074369895000000, 3.693000645000000 ] # a - [ 3.543309640000000, -5.074369895000000, 3.693000645000000 ] # b - [ 3.543309640000000, 5.074369895000000, -3.693000645000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Al # 5 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Zn # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 - symbol: F # 9 coordinates: [ 0.824398840000000, 0.749685670000000, 0.701367070000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.195507130000000, 0.778476610000000, 0.417030520000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.451681400000000, 0.876968230000000, 0.201367070000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.138553910000000, 0.221523390000000, 0.917030520000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.548318600000000, 0.123031770000000, 0.798632930000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.861446090000000, 0.778476610000000, 0.082969480000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.824398840000000, 0.123031770000000, 0.074713170000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.375464970000000, 0.625464970000000, 0.750000000000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.624535030000000, 0.374535030000000, 0.250000000000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.175601160000000, 0.250314330000000, 0.298632930000000 ] mass: 18.998403 - 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