# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4fb0e35d-86af-463e-8245-502de2766e5e/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 InI2 / Pnna (52) / materials id 29312](https://mdr.nims.go.jp/datasets/baf7d16b-fa28-4457-a9e5-5145389d9656) ## 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: "Pnna" number: 52 Hall_symbol: "-P 2a 2bc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.312321960000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.695010110000000, 0.000000000000000 ] # b - 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[ 0.000000000000000, 0.000000000000000, 2.356984190000000 ]- # 4 (In) - [ 3.378715730000000, -0.361292200000000, 0.000000000000000 ] - [ -0.157080920000000, 2.684005890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.356984190000000 ]- # 5 (In) - [ 2.637717570000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.264358650000000, 0.200402140000000 ] - [ 0.000000000000000, 0.319187380000000, 2.031264260000000 ]- # 6 (In) - [ 2.637717570000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.264358650000000, -0.200402140000000 ] - [ 0.000000000000000, -0.319187380000000, 2.031264260000000 ]- # 7 (In) - [ 2.637717570000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.264358650000000, 0.200402140000000 ] - [ 0.000000000000000, 0.319187380000000, 2.031264260000000 ]- # 8 (In) - [ 2.637717570000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.264358650000000, -0.200402140000000 ] - [ 0.000000000000000, -0.319187380000000, 2.031264260000000 ]- # 9 (I) - 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