# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18504ebb-102e-41bf-94f4-e9fe1fd86fff/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 Co2(SnTe)3 / R-3 (148) / materials id 866481](https://mdr.nims.go.jp/datasets/bed82771-5384-49b5-908e-5c6f04802b6c) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.392460280000006, 3.690688653333329, 5.223635273333327 ] # a - [ -6.392460269999993, 3.690688673333329, 5.223635273333327 ] # b - [ -0.000000009999994, -7.381377326666669, 5.223635273333327 ] # c points: - symbol: Co # 1 coordinates: [ 0.745105490000000, 0.243811330000002, 0.248196110000000 ] mass: 58.933195 - symbol: Co # 2 coordinates: [ 0.243811340000000, 0.248196100000002, 0.745105490000000 ] mass: 58.933195 - symbol: Co # 3 coordinates: [ 0.248196110000000, 0.745105480000002, 0.243811340000000 ] mass: 58.933195 - symbol: Co # 4 coordinates: [ 0.254894510000000, 0.756188660000003, 0.751803880000000 ] mass: 58.933195 - symbol: Co # 5 coordinates: [ 0.756188650000000, 0.751803890000003, 0.254894510000000 ] mass: 58.933195 - symbol: Co # 6 coordinates: [ 0.751803880000000, 0.254894520000003, 0.756188650000000 ] mass: 58.933195 - symbol: Co # 7 coordinates: [ 0.746880230000000, 0.746880220000000, 0.746880230000000 ] mass: 58.933195 - symbol: Co # 8 coordinates: [ 0.253119770000000, 0.253119760000002, 0.253119770000000 ] mass: 58.933195 - symbol: Sn # 9 coordinates: [ 0.002187060000000, 0.680291910000003, 0.833605850000000 ] mass: 118.710000 - symbol: Sn # 10 coordinates: [ 0.680291910000000, 0.833605850000002, 0.002187060000000 ] mass: 118.710000 - symbol: Sn # 11 coordinates: [ 0.833605850000000, 0.002187060000002, 0.680291910000000 ] mass: 118.710000 - symbol: Sn # 12 coordinates: [ 0.997812950000000, 0.319708090000003, 0.166394150000000 ] mass: 118.710000 - symbol: Sn # 13 coordinates: [ 0.319708090000000, 0.166394150000003, 0.997812950000000 ] mass: 118.710000 - symbol: Sn # 14 coordinates: [ 0.166394150000000, 0.997812950000003, 0.319708090000000 ] mass: 118.710000 - symbol: Sn # 15 coordinates: [ 0.499217020000000, 0.179675520000002, 0.666920500000000 ] mass: 118.710000 - symbol: Sn # 16 coordinates: [ 0.179675510000000, 0.666920510000002, 0.499217020000000 ] mass: 118.710000 - symbol: Sn # 17 coordinates: [ 0.666920500000000, 0.499217030000002, 0.179675510000000 ] mass: 118.710000 - symbol: Sn # 18 coordinates: [ 0.500782970000000, 0.820324480000003, 0.333079490000000 ] mass: 118.710000 - 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