# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0fcc8500-44d8-4819-8da4-6539329605ff/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 Y(AgCl2)3 / R-3 (148) / materials id 35906](https://mdr.nims.go.jp/datasets/14927f15-ea40-46b7-9863-de6a48fd99d5) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Cl # 107 coordinates: [ 0.347053655000000, 0.507501755000000, 0.914694090000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 108 coordinates: [ 0.847053655000000, 0.507501755000000, 0.914694090000000 ] mass: 35.453000 reduced_to: 57 - symbol: Y # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 109 - symbol: Y # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 109 - symbol: Y # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 109 - symbol: Y # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 109 - symbol: Y # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.333333330000000 ] mass: 88.905850 reduced_to: 109 - symbol: Y # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.333333330000000 ] mass: 88.905850 reduced_to: 109 - symbol: Y # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.333333330000000 ] mass: 88.905850 reduced_to: 109 - 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