# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fa4e61b6-7b7f-4817-b40e-b2fd4d73919a/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 Nd4Se3N2 / C2/c (15) / materials id 30292](https://mdr.nims.go.jp/datasets/2863f1cd-67da-4107-aa6d-15a32437e3f9) ## 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, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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[ 0.076866556380895, -0.098994284200703, 0.000500481446206 ] # a* - [ 0.076866556380895, 0.098994284200703, 0.000500481446206 ] # b* - [ 0.000420911426415, 0.000000000000000, 0.156974053185935 ] # c*unit_cell: lattice: - [ 13.009786130000000, 0.000000000000000, -0.034884540000000 ] # a - [ 0.000000000000000, 10.101593319999999, 0.000000000000000 ] # b - [ -0.041479190000000, 0.000000000000000, 6.370590800000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.874351770000000, 0.683267110000000, 0.030689040000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.125648230000000, 0.683267110000000, 0.469310960000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 3 coordinates: [ 0.125648230000000, 0.316732890000000, 0.969310960000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.874351770000000, 0.316732890000000, 0.530689040000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.334954240000000, 0.580482210000000, 0.069369230000000 ] mass: 144.242000 reduced_to: 5 - 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