# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/308810fe-da97-4918-b021-8381db7c2090/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 CsK2BiCl6 / C2/c (15) / materials id 571371](https://mdr.nims.go.jp/datasets/710d4cf7-9284-466c-8888-a3223cbd7a63) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.786676125000000, -3.866759325000000, 0.017124315000000 ] # a - [ 12.786676125000000, 3.866759325000000, 0.017124315000000 ] # b - [ -2.025180480000000, 0.000000000000000, 12.715058720000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.677792910000000, 0.219738610000000, 0.070432080000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.322207090000000, 0.780261390000000, 0.929567920000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.219738610000000, 0.677792910000000, 0.570432080000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.780261390000000, 0.322207090000000, 0.429567920000000 ] mass: 132.905452 - symbol: K # 5 coordinates: [ 0.155150970000000, 0.528881070000000, 0.860019250000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.658824120000000, 0.019273580000000, 0.698716780000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.980726420000000, 0.341175880000000, 0.801283220000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.844849030000000, 0.471118930000000, 0.139980750000000 ] mass: 39.098300 - symbol: K # 9 coordinates: [ 0.471118930000000, 0.844849030000000, 0.639980750000000 ] mass: 39.098300 - symbol: K # 10 coordinates: [ 0.341175880000000, 0.980726420000000, 0.301283220000000 ] mass: 39.098300 - symbol: K # 11 coordinates: [ 0.528881070000000, 0.155150970000000, 0.360019250000000 ] mass: 39.098300 - symbol: K # 12 coordinates: [ 0.019273580000000, 0.658824120000000, 0.198716780000000 ] mass: 39.098300 - symbol: Bi # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 208.980400 - symbol: Bi # 14 coordinates: [ 0.214743880000000, 0.785256120000000, 0.250000000000000 ] mass: 208.980400 - symbol: Bi # 15 coordinates: [ 0.785256120000000, 0.214743880000000, 0.750000000000000 ] mass: 208.980400 - symbol: Bi # 16 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 208.980400 - symbol: Cl # 17 coordinates: [ 0.634853930000000, 0.866192690000000, 0.196963090000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.519509240000000, 0.612114080000000, 0.186128770000000 ] mass: 35.453000 - 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