# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5504d4aa-8b05-449f-b027-bf5e4c1c5e62/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 MnInBr3 / Pnma (62) / materials id 28912](https://mdr.nims.go.jp/datasets/9ea355da-9d82-4a0b-b468-28a7f6fd5ccb) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 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, 1 ]primitive_cell: lattice: - [ 8.492702550000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.683384040000000, 0.000000000000000 ] # b - 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symbol: In # 20 coordinates: [ 0.566808960000000, 0.250000000000000, 0.667932750000000 ] mass: 114.818000 reciprocal_lattice: # without 2pi - [ 0.117748148379458, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.271489475205523, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.066158283700369 ] # c*unit_cell: lattice: - [ 8.492702550000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.683384040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.115265150000001 ] # c points: - symbol: Mn # 1 coordinates: [ 0.641960250000000, 0.750000000000000, 0.950419390000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 2 coordinates: [ 0.358039750000000, 0.250000000000000, 0.049580610000000 ] mass: 54.938045 reduced_to: 2 - symbol: Mn # 3 coordinates: [ 0.141960250000000, 0.750000000000000, 0.549580610000000 ] mass: 54.938045 reduced_to: 3 - symbol: Mn # 4 coordinates: [ 0.858039750000000, 0.250000000000000, 0.450419390000000 ] mass: 54.938045 reduced_to: 4 - 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