# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/814102f7-d1c3-44d6-af83-a8ae4e4957b6/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 AgBr / P2_1/m (11) / materials id 570301](https://mdr.nims.go.jp/datasets/fe8e8b1f-91b6-4175-8e27-9de5a380e15d)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P2_1/m"  number: 11  Hall_symbol: "-P 2yb"supercell_matrix:- [   4,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     4.001885130000000,     0.000000000000000,     0.040926630000000 ] # a  - [     0.000000000000000,     4.002648340000000,     0.000000000000000 ] # b  - [    -0.056014050000000,     0.000000000000000,     5.647310950000000 ] # c  points:  - symbol: Ag # 1    coordinates: [  0.749642450000000,  0.250000000000000,  0.249991730000000 ]    mass: 107.868200  - symbol: Ag # 2    coordinates: [  0.250357550000000,  0.750000000000000,  0.750008270000000 ]    mass: 107.868200  - symbol: Br # 3    coordinates: [  0.249717390000000,  0.750000000000000,  0.249993980000000 ]    mass: 79.904000  - symbol: Br # 4    coordinates: [  0.750282610000000,  0.250000000000000,  0.750006020000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.249856890128060,     0.000000000000000,     0.002478258495130 ] # a*  - [     0.000000000000000,     0.249834588266627,     0.000000000000000 ] # b*  - [    -0.001810737992960,     0.000000000000000,     0.177057467188260 ] # c*unit_cell:  lattice:  - [     4.001885130000000,     0.000000000000000,     0.040926630000000 ] # a  - [     0.000000000000000,     4.002648340000000,     0.000000000000000 ] # b  - [    -0.056014050000000,     0.000000000000000,     5.647310950000000 ] # c  points:  - symbol: Ag # 1    coordinates: [  0.749642450000000,  0.250000000000000,  0.249991730000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 2    coordinates: [  0.250357550000000,  0.750000000000000,  0.750008270000000 ]    mass: 107.868200    reduced_to: 2  - symbol: Br # 3    coordinates: [  0.249717390000000,  0.750000000000000,  0.249993980000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 4    coordinates: [  0.750282610000000,  0.250000000000000,  0.750006020000000 ]    mass: 79.904000    reduced_to: 4supercell:  lattice:  - [    16.007540519999999,     0.000000000000000,     0.163706520000000 ] # a  - [     0.000000000000000,    12.007945020000001,     0.000000000000000 ] # b  - [    -0.168042150000000,     0.000000000000000,    16.941932850000001 ] # c  points:  - symbol: Ag # 1    coordinates: [  0.187410612500000,  0.083333333333333,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 2    coordinates: [  0.437410612500000,  0.083333333333333,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 3    coordinates: [  0.687410612500000,  0.083333333333333,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 4    coordinates: [  0.937410612500000,  0.083333333333333,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 5    coordinates: [  0.187410612500000,  0.416666666666667,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 6    coordinates: [  0.437410612500000,  0.416666666666667,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 7    coordinates: [  0.687410612500000,  0.416666666666667,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 8    coordinates: [  0.937410612500000,  0.416666666666667,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 9    coordinates: [  0.187410612500000,  0.750000000000000,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 10    coordinates: [  0.437410612500000,  0.750000000000000,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 11    coordinates: [  0.687410612500000,  0.750000000000000,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 12    coordinates: [  0.937410612500000,  0.750000000000000,  0.083330576666667 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 13    coordinates: [  0.187410612500000,  0.083333333333333,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 14    coordinates: [  0.437410612500000,  0.083333333333333,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 15    coordinates: [  0.687410612500000,  0.083333333333333,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 16    coordinates: [  0.937410612500000,  0.083333333333333,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 17    coordinates: [  0.187410612500000,  0.416666666666667,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 18    coordinates: [  0.437410612500000,  0.416666666666667,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 19    coordinates: [  0.687410612500000,  0.416666666666667,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 20    coordinates: [  0.937410612500000,  0.416666666666667,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 21    coordinates: [  0.187410612500000,  0.750000000000000,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 22    coordinates: [  0.437410612500000,  0.750000000000000,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 23    coordinates: [  0.687410612500000,  0.750000000000000,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 24    coordinates: [  0.937410612500000,  0.750000000000000,  0.416663910000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 25    coordinates: [  0.187410612500000,  0.083333333333333,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 26    coordinates: [  0.437410612500000,  0.083333333333333,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 27    coordinates: [  0.687410612500000,  0.083333333333333,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 28    coordinates: [  0.937410612500000,  0.083333333333333,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 29    coordinates: [  0.187410612500000,  0.416666666666667,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 30    coordinates: [  0.437410612500000,  0.416666666666667,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 31    coordinates: [  0.687410612500000,  0.416666666666667,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 32    coordinates: [  0.937410612500000,  0.416666666666667,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 33    coordinates: [  0.187410612500000,  0.750000000000000,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 34    coordinates: [  0.437410612500000,  0.750000000000000,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 35    coordinates: [  0.687410612500000,  0.750000000000000,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 36    coordinates: [  0.937410612500000,  0.750000000000000,  0.749997243333333 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 37    coordinates: [  0.062589387500000,  0.250000000000000,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 38    coordinates: [  0.312589387500000,  0.250000000000000,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 39    coordinates: [  0.562589387500000,  0.250000000000000,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 40    coordinates: [  0.812589387500000,  0.250000000000000,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 41    coordinates: [  0.062589387500000,  0.583333333333333,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 42    coordinates: [  0.312589387500000,  0.583333333333333,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 43    coordinates: [  0.562589387500000,  0.583333333333333,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 44    coordinates: [  0.812589387500000,  0.583333333333333,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 45    coordinates: [  0.062589387500000,  0.916666666666667,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 46    coordinates: [  0.312589387500000,  0.916666666666667,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 47    coordinates: [  0.562589387500000,  0.916666666666667,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 48    coordinates: [  0.812589387500000,  0.916666666666667,  0.250002756666667 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 49    coordinates: [  0.062589387500000,  0.250000000000000,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 50    coordinates: [  0.312589387500000,  0.250000000000000,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 51    coordinates: [  0.562589387500000,  0.250000000000000,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 52    coordinates: [  0.812589387500000,  0.250000000000000,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 53    coordinates: [  0.062589387500000,  0.583333333333333,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 54    coordinates: [  0.312589387500000,  0.583333333333333,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 55    coordinates: [  0.562589387500000,  0.583333333333333,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 56    coordinates: [  0.812589387500000,  0.583333333333333,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 57    coordinates: [  0.062589387500000,  0.916666666666667,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 58    coordinates: [  0.312589387500000,  0.916666666666667,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 59    coordinates: [  0.562589387500000,  0.916666666666667,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 60    coordinates: [  0.812589387500000,  0.916666666666667,  0.583336090000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 61    coordinates: [  0.062589387500000,  0.250000000000000,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 62    coordinates: [  0.312589387500000,  0.250000000000000,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 63    coordinates: [  0.562589387500000,  0.250000000000000,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 64    coordinates: [  0.812589387500000,  0.250000000000000,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 65    coordinates: [  0.062589387500000,  0.583333333333333,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 66    coordinates: [  0.312589387500000,  0.583333333333333,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 67    coordinates: [  0.562589387500000,  0.583333333333333,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 68    coordinates: [  0.812589387500000,  0.583333333333333,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 69    coordinates: [  0.062589387500000,  0.916666666666667,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 70    coordinates: [  0.312589387500000,  0.916666666666667,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 71    coordinates: [  0.562589387500000,  0.916666666666667,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 72    coordinates: [  0.812589387500000,  0.916666666666667,  0.916669423333333 ]    mass: 107.868200    reduced_to: 37  - symbol: Br # 73    coordinates: [  0.062429347500000,  0.250000000000000,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 74    coordinates: [  0.312429347500000,  0.250000000000000,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 75    coordinates: [  0.562429347500000,  0.250000000000000,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 76    coordinates: [  0.812429347500000,  0.250000000000000,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 77    coordinates: [  0.062429347500000,  0.583333333333333,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 78    coordinates: [  0.312429347500000,  0.583333333333333,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 79    coordinates: [  0.562429347500000,  0.583333333333333,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 80    coordinates: [  0.812429347500000,  0.583333333333333,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 81    coordinates: [  0.062429347500000,  0.916666666666667,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 82    coordinates: [  0.312429347500000,  0.916666666666667,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 83    coordinates: [  0.562429347500000,  0.916666666666667,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 84    coordinates: [  0.812429347500000,  0.916666666666667,  0.083331326666667 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 85    coordinates: [  0.062429347500000,  0.250000000000000,  0.416664660000000 ]    mass: 79.904000    reduced_to: 73  - 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