# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e183fb6a-c24a-465e-b3a5-b6b7c3b35f3d/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 HoBiO3 / R-3 (148) / materials id 754300](https://mdr.nims.go.jp/datasets/97665857-40f6-487d-a441-7ad4201add6e) ## 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: O # 107 coordinates: [ 0.128042860000000, 0.981792860000000, 0.748397680000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.628042860000000, 0.981792860000000, 0.748397680000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.038623810000000, 0.351540475000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.538623810000000, 0.351540475000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.038623810000000, 0.851540475000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.538623810000000, 0.851540475000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.148459525000000, 0.187083335000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.648459525000000, 0.187083335000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.148459525000000, 0.687083335000000, 0.918268980000000 ] mass: 15.999400 reduced_to: 65 - 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