# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6a941a64-0920-44b0-a4d7-daec0843b26d/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 AgHg3As2Cl3 / C2/c (15) / materials id 567890](https://mdr.nims.go.jp/datasets/ba3fe630-133b-4f0c-849b-4595e061a111) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.266504265000000, -4.569462155000000, -0.004473865000000 ] # a - [ 12.266504265000000, 4.569462155000000, -0.004473865000000 ] # b - [ -8.250320090000001, 0.000000000000000, 12.323454119999999 ] # c points: - symbol: Ag # 1 coordinates: [ 0.648791500000000, 0.351208500000000, 0.750000000000000 ] mass: 107.868200 - symbol: Ag # 2 coordinates: [ 0.935938950000000, 0.401091390000000, 0.281111710000000 ] mass: 107.868200 - symbol: Ag # 3 coordinates: [ 0.401091390000000, 0.935938950000000, 0.781111710000000 ] mass: 107.868200 - symbol: Ag # 4 coordinates: [ 0.351208500000000, 0.648791500000000, 0.250000000000000 ] mass: 107.868200 - symbol: Ag # 5 coordinates: [ 0.064061050000000, 0.598908610000000, 0.718888290000000 ] mass: 107.868200 - symbol: Ag # 6 coordinates: [ 0.598908610000000, 0.064061050000000, 0.218888290000000 ] mass: 107.868200 - symbol: Hg # 7 coordinates: [ 0.661387420000000, 0.667979740000000, 0.499084700000000 ] mass: 200.590000 - symbol: Hg # 8 coordinates: [ 0.800212260000000, 0.199787740000000, 0.250000000000000 ] mass: 200.590000 - 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