# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d40bb279-1b61-4e25-98d2-cb8aed3cac38/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 SbSeI / Pnma (62) / materials id 22996](https://mdr.nims.go.jp/datasets/60205c33-a814-49da-9604-e5145d492992) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.571145830000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.094962100000000, 0.000000000000000 ] # b - 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symbol: I # 124 coordinates: [ 0.511539545000000, 0.583333333333333, 0.339068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 125 coordinates: [ 0.011539545000000, 0.916666666666667, 0.339068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 126 coordinates: [ 0.511539545000000, 0.916666666666667, 0.339068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 127 coordinates: [ 0.011539545000000, 0.250000000000000, 0.839068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 128 coordinates: [ 0.511539545000000, 0.250000000000000, 0.839068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 129 coordinates: [ 0.011539545000000, 0.583333333333333, 0.839068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 130 coordinates: [ 0.511539545000000, 0.583333333333333, 0.839068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 131 coordinates: [ 0.011539545000000, 0.916666666666667, 0.839068090000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 132 coordinates: [ 0.511539545000000, 0.916666666666667, 0.839068090000000 ] mass: 126.904470 reduced_to: 121 - 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