# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/41a9b369-7fbf-4e28-bcad-9af70523816a/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 H4IN / Imm2 (44) / materials id 34381](https://mdr.nims.go.jp/datasets/ccbd8fe7-e4fc-46f2-b88f-03283bb754c7) ## 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: "Imm2" number: 44 Hall_symbol: "I 2 -2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - 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symbol: N # 128 coordinates: [ 0.500000000000000, 0.500000000000000, 0.662604993333333 ] mass: 14.006700 reduced_to: 121 - symbol: N # 129 coordinates: [ 0.000000000000000, 0.000000000000000, 0.995938326666667 ] mass: 14.006700 reduced_to: 121 - symbol: N # 130 coordinates: [ 0.500000000000000, 0.000000000000000, 0.995938326666667 ] mass: 14.006700 reduced_to: 121 - symbol: N # 131 coordinates: [ 0.000000000000000, 0.500000000000000, 0.995938326666667 ] mass: 14.006700 reduced_to: 121 - symbol: N # 132 coordinates: [ 0.500000000000000, 0.500000000000000, 0.995938326666667 ] mass: 14.006700 reduced_to: 121 - symbol: N # 133 coordinates: [ 0.250000000000000, 0.250000000000000, 0.162604993333333 ] mass: 14.006700 reduced_to: 121 - symbol: N # 134 coordinates: [ 0.750000000000000, 0.250000000000000, 0.162604993333333 ] mass: 14.006700 reduced_to: 121 - symbol: N # 135 coordinates: [ 0.250000000000000, 0.750000000000000, 0.162604993333333 ] mass: 14.006700 reduced_to: 121 - symbol: N # 136 coordinates: [ 0.750000000000000, 0.750000000000000, 0.162604993333333 ] mass: 14.006700 reduced_to: 121 - 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