# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/72dd3f54-7a86-45dd-a7d6-ff7be5d208a6/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 RbNO2 / P3_121 (152) / materials id 752580](https://mdr.nims.go.jp/datasets/31e93641-7383-498b-a0c6-b8f0dbb44475) ## 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: "P3_121" number: 152 Hall_symbol: "P 31 2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.646610900000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.823305440000000, 4.890108480000000, 0.000000000000000 ] # b - 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symbol: O # 88 coordinates: [ 0.815695415000000, 0.553745545000000, 0.855346360000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.446254455000000, 0.261949875000000, 0.022013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.946254455000000, 0.261949875000000, 0.022013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.446254455000000, 0.761949875000000, 0.022013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.946254455000000, 0.761949875000000, 0.022013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.446254455000000, 0.261949875000000, 0.522013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.946254455000000, 0.261949875000000, 0.522013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.446254455000000, 0.761949875000000, 0.522013025000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.946254455000000, 0.761949875000000, 0.522013025000000 ] mass: 15.999400 reduced_to: 89born_effective_charge:- # 1 (Rb) - 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