# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6838a946-a5fe-41c7-8584-68d8f6a57c35/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 NdPb6F15 / Cm (8) / materials id 676572](https://mdr.nims.go.jp/datasets/8d4aa792-2e9f-4885-9fe7-9001d318aaf6) ## 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: "Cm" number: 8 Hall_symbol: "C -2y"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, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.558929370000000, -2.055103675000000, 0.007280745000000 ] # a - [ 3.558929370000000, 2.055103675000000, 0.007280745000000 ] # b - [ -2.422032020000000, 0.000000000000000, 24.051333679999999 ] # c points: - symbol: Nd # 1 coordinates: [ 0.733070890000000, 0.733070890000000, 0.159761050000000 ] mass: 144.242000 - symbol: Pb # 2 coordinates: [ 0.017560720000000, 0.017560720000000, 0.013500680000000 ] mass: 207.200000 - symbol: Pb # 3 coordinates: [ 0.302289140000000, 0.302289140000000, 0.868303900000000 ] mass: 207.200000 - symbol: Pb # 4 coordinates: [ 0.587617380000000, 0.587617380000000, 0.724981530000000 ] mass: 207.200000 - symbol: Pb # 5 coordinates: [ 0.873100620000000, 0.873100620000000, 0.581332610000000 ] mass: 207.200000 - symbol: Pb # 6 coordinates: [ 0.444172710000000, 0.444172710000000, 0.294123490000000 ] mass: 207.200000 - symbol: Pb # 7 coordinates: [ 0.158409070000000, 0.158409070000000, 0.437157220000000 ] mass: 207.200000 - symbol: F # 8 coordinates: [ 0.623238690000000, 0.623238690000000, 0.831201570000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.980785540000000, 0.980785540000000, 0.903738370000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.908704850000000, 0.908704850000000, 0.688225680000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.266715860000000, 0.266715860000000, 0.762317690000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.194397920000000, 0.194397920000000, 0.545126170000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.552075600000000, 0.552075600000000, 0.618316620000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.478809830000000, 0.478809830000000, 0.398310220000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.837187660000000, 0.837187660000000, 0.473565620000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.766001390000000, 0.766001390000000, 0.259206620000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.050382500000000, 0.050382500000000, 0.111820060000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.124106490000000, 0.124106490000000, 0.333872060000000 ] mass: 18.998403 - 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