# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4a8088b6-6f1d-4d50-adb5-6593a6b7c57c/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 InHO2 / Pnnm (58) / materials id 632711](https://mdr.nims.go.jp/datasets/94dfe7db-ce5e-4a68-b961-445588e74d8f) ## 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: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 4.525735960000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.286349210000000, 0.000000000000000 ] # b - 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symbol: O # 123 coordinates: [ 0.926361136666667, 0.315544760000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 124 coordinates: [ 0.259694470000000, 0.815544760000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 125 coordinates: [ 0.593027803333333, 0.815544760000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 126 coordinates: [ 0.926361136666667, 0.815544760000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 127 coordinates: [ 0.073638863333333, 0.184455240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.406972196666667, 0.184455240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.740305530000000, 0.184455240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.073638863333333, 0.684455240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.406972196666667, 0.684455240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.740305530000000, 0.684455240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 133 coordinates: [ 0.073638863333333, 0.184455240000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 134 coordinates: [ 0.406972196666667, 0.184455240000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 135 coordinates: [ 0.740305530000000, 0.184455240000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 136 coordinates: [ 0.073638863333333, 0.684455240000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 137 coordinates: [ 0.406972196666667, 0.684455240000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 138 coordinates: [ 0.740305530000000, 0.684455240000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 139 coordinates: [ 0.073638863333333, 0.184455240000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 140 coordinates: [ 0.406972196666667, 0.184455240000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 127 - 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