# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f1c37dfc-3535-42b2-98c1-b096629ab9bd/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 Li7IN2 / Cm (8) / materials id 675941](https://mdr.nims.go.jp/datasets/115d5ed8-f602-4ffd-b339-8c6ff5dbf090) ## 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, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.285683900000000, -3.626318240000000, -0.028239385000000 ] # a - [ 6.285683900000000, 3.626318240000000, -0.028239385000000 ] # b - [ -4.167066310000000, 0.000000000000000, 5.941045490000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.006309750000000, 0.006309750000000, 0.987333410000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.065596480000000, 0.429788340000000, 0.928034370000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.429788340000000, 0.065596480000000, 0.928034370000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.065597720000000, 0.065597720000000, 0.563856830000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.420188930000000, 0.420188930000000, 0.919987740000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.420191730000000, 0.073672650000000, 0.573449060000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.073672650000000, 0.420191730000000, 0.573449060000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.212783680000000, 0.784120340000000, 0.780913740000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.784120340000000, 0.212783680000000, 0.780913740000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.212757280000000, 0.212757280000000, 0.209526540000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.788167200000000, 0.788167200000000, 0.716745870000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.788169260000000, 0.276847700000000, 0.205493520000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.276847700000000, 0.788169260000000, 0.205493520000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.890626280000000, 0.890626280000000, 0.102961530000000 ] mass: 6.941000 - symbol: I # 15 coordinates: [ 0.494211010000000, 0.494211010000000, 0.499415470000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.732596260000000, 0.732596260000000, 0.260947190000000 ] mass: 126.904470 - symbol: N # 17 coordinates: [ 0.118786500000000, 0.118786500000000, 0.874858010000000 ] mass: 14.006700 - symbol: N # 18 coordinates: [ 0.648422130000000, 0.109507410000000, 0.884132450000000 ] mass: 14.006700 - 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