# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/76061180-5ea3-40c9-aefc-9e44818534f0/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 Sb3ClO4 / P2/c (13) / materials id 29591](https://mdr.nims.go.jp/datasets/c67b91e3-eb34-468f-b8ad-077ee8449004) ## 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: "P2/c" number: 13 Hall_symbol: "-P 2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.356672450000000, 0.000000000000000, 0.106229700000000 ] # a - [ 0.000000000000000, 5.402664580000000, 0.000000000000000 ] # b - 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[ -0.001322410000000, 0.000000000000000, 4.934572060000000 ]- # 13 (Sb) - [ 4.004371280000000, 0.000000000000000, 0.249614750000000 ] - [ 0.000000000000000, 3.941651430000000, 0.000000000000000 ] - [ -0.001322410000000, 0.000000000000000, 4.934572060000000 ]- # 14 (Sb) - [ 4.079768330000000, -0.874295770000000, 0.174245770000000 ] - [ -0.639024370000000, 3.478308970000000, -0.561489760000000 ] - [ 0.170923570000000, -0.376019260000000, 3.997847610000001 ]- # 15 (Sb) - [ 4.079768330000000, 0.874295770000000, 0.174245770000000 ] - [ 0.639024370000000, 3.478308970000000, 0.561489760000000 ] - [ 0.170923570000000, 0.376019260000000, 3.997847610000001 ]- # 16 (Sb) - [ 4.079768330000000, -0.874295770000000, 0.174245770000000 ] - [ -0.639024370000000, 3.478308970000000, -0.561489760000000 ] - [ 0.170923570000000, -0.376019260000000, 3.997847610000001 ]dielectric_constant: - [ 5.625406970000000, 0.000000000000000, -0.011013760000000 ] - [ 0.000000000000000, 5.269486100000000, 0.000000000000000 ] - 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