# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/08a888c2-8b29-417e-ac0b-736355b6f585/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 AgNO3 / R3m (160) / materials id 8196](https://mdr.nims.go.jp/datasets/c7ebcbfd-c4b2-4fb1-9cc2-7c40740ab05b)

## 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: "R3m"  number: 160  Hall_symbol: "R 3 -2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     2.523424216666669,     1.456899646666665,     2.714701763333331 ] # a  - [    -2.523424213333331,     1.456899646666665,     2.714701763333331 ] # b  - [    -0.000000003333331,    -2.913799293333335,     2.714701763333331 ] # c  points:  - symbol: N  # 1    coordinates: [  0.573783460000000,  0.573783470000001,  0.573783460000000 ]    mass: 14.006700  - symbol: O  # 2    coordinates: [  0.865544230000000,  0.431784420000001,  0.431784420000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.431784420000000,  0.431784420000001,  0.865544230000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.431784420000000,  0.865544230000001,  0.431784420000000 ]    mass: 15.999400  - symbol: Ag # 5    coordinates: [  0.998503470000000,  0.998503480000002,  0.998503470000000 ]    mass: 107.868200  reciprocal_lattice: # without 2pi  - [     0.198143458015441,     0.114398178843515,     0.122788196418320 ] # a*  - [    -0.198143458015441,     0.114398179296860,     0.122788196418320 ] # b*  - [    -0.000000000000000,    -0.228796358140376,     0.122788196418320 ] # c*unit_cell:  lattice:  - [     5.046848430000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.523424210000000,     4.370698940000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.144105290000001 ] # c  points:  - symbol: N  # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.240450130000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.573783460000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.907116790000000 ]    mass: 14.006700    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.622506540000000,  0.811253270000000,  0.243037690000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.188746730000000,  0.377493460000000,  0.243037690000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.188746730000000,  0.811253270000000,  0.243037690000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.289173210000000,  0.144586600000000,  0.576371020000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 8    coordinates: [  0.855413400000000,  0.710826790000000,  0.576371020000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.855413400000000,  0.144586600000000,  0.576371020000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 10    coordinates: [  0.955839870000000,  0.477919940000000,  0.909704360000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 11    coordinates: [  0.522080060000000,  0.044160130000000,  0.909704360000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 12    coordinates: [  0.522080060000000,  0.477919940000000,  0.909704360000000 ]    mass: 15.999400    reduced_to: 6  - symbol: Ag # 13    coordinates: [  0.333333330000000,  0.666666670000000,  0.665170140000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.998503470000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.331836800000000 ]    mass: 107.868200    reduced_to: 13supercell:  lattice:  - [    10.093696860000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.046848420000000,     8.741397879999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.288210580000001 ] # c  points:  - symbol: N  # 1    coordinates: [  0.166666665000000,  0.333333335000000,  0.120225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.666666665000000,  0.333333335000000,  0.120225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.166666665000000,  0.833333335000000,  0.120225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 4    coordinates: [  0.666666665000000,  0.833333335000000,  0.120225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 5    coordinates: [  0.166666665000000,  0.333333335000000,  0.620225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 6    coordinates: [  0.666666665000000,  0.333333335000000,  0.620225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 7    coordinates: [  0.166666665000000,  0.833333335000000,  0.620225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 8    coordinates: [  0.666666665000000,  0.833333335000000,  0.620225065000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.286891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.286891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.286891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.286891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.786891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.786891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.786891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.786891730000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 17    coordinates: [  0.333333335000000,  0.166666665000000,  0.453558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 18    coordinates: [  0.833333335000000,  0.166666665000000,  0.453558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 19    coordinates: [  0.333333335000000,  0.666666665000000,  0.453558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 20    coordinates: [  0.833333335000000,  0.666666665000000,  0.453558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 21    coordinates: [  0.333333335000000,  0.166666665000000,  0.953558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 22    coordinates: [  0.833333335000000,  0.166666665000000,  0.953558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 23    coordinates: [  0.333333335000000,  0.666666665000000,  0.953558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 24    coordinates: [  0.833333335000000,  0.666666665000000,  0.953558395000000 ]    mass: 14.006700    reduced_to: 1  - symbol: O  # 25    coordinates: [  0.311253270000000,  0.405626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.811253270000000,  0.405626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.311253270000000,  0.905626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.811253270000000,  0.905626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.311253270000000,  0.405626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 30    coordinates: [  0.811253270000000,  0.405626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 31    coordinates: [  0.311253270000000,  0.905626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 32    coordinates: [  0.811253270000000,  0.905626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 33    coordinates: [  0.094373365000000,  0.188746730000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.594373365000000,  0.188746730000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.094373365000000,  0.688746730000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.594373365000000,  0.688746730000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.094373365000000,  0.188746730000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 38    coordinates: [  0.594373365000000,  0.188746730000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 39    coordinates: [  0.094373365000000,  0.688746730000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 40    coordinates: [  0.594373365000000,  0.688746730000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 41    coordinates: [  0.094373365000000,  0.405626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.594373365000000,  0.405626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.094373365000000,  0.905626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.594373365000000,  0.905626635000000,  0.121518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.094373365000000,  0.405626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 46    coordinates: [  0.594373365000000,  0.405626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 47    coordinates: [  0.094373365000000,  0.905626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 48    coordinates: [  0.594373365000000,  0.905626635000000,  0.621518845000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 49    coordinates: [  0.144586605000000,  0.072293300000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 50    coordinates: [  0.644586605000000,  0.072293300000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 51    coordinates: [  0.144586605000000,  0.572293300000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 52    coordinates: [  0.644586605000000,  0.572293300000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 53    coordinates: [  0.144586605000000,  0.072293300000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 54    coordinates: [  0.644586605000000,  0.072293300000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 55    coordinates: [  0.144586605000000,  0.572293300000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 56    coordinates: [  0.644586605000000,  0.572293300000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 57    coordinates: [  0.427706700000000,  0.355413395000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.927706700000000,  0.355413395000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 59    coordinates: [  0.427706700000000,  0.855413395000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 60    coordinates: [  0.927706700000000,  0.855413395000000,  0.288185510000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 61    coordinates: [  0.427706700000000,  0.355413395000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 62    coordinates: [  0.927706700000000,  0.355413395000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 63    coordinates: [  0.427706700000000,  0.855413395000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 33  - 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symbol: O  # 72    coordinates: [  0.927706700000000,  0.572293300000000,  0.788185510000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 73    coordinates: [  0.477919935000000,  0.238959970000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 74    coordinates: [  0.977919935000000,  0.238959970000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 75    coordinates: [  0.477919935000000,  0.738959970000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 76    coordinates: [  0.977919935000000,  0.738959970000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 77    coordinates: [  0.477919935000000,  0.238959970000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 78    coordinates: [  0.977919935000000,  0.238959970000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 79    coordinates: [  0.477919935000000,  0.738959970000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 80    coordinates: [  0.977919935000000,  0.738959970000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 81    coordinates: [  0.261040030000000,  0.022080065000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 82    coordinates: [  0.761040030000000,  0.022080065000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 83    coordinates: [  0.261040030000000,  0.522080065000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 84    coordinates: [  0.761040030000000,  0.522080065000000,  0.454852180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 85    coordinates: [  0.261040030000000,  0.022080065000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 86    coordinates: [  0.761040030000000,  0.022080065000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 87    coordinates: [  0.261040030000000,  0.522080065000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 33  - 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symbol: O  # 96    coordinates: [  0.761040030000000,  0.738959970000000,  0.954852180000000 ]    mass: 15.999400    reduced_to: 41  - symbol: Ag # 97    coordinates: [  0.166666665000000,  0.333333335000000,  0.332585070000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 98    coordinates: [  0.666666665000000,  0.333333335000000,  0.332585070000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 99    coordinates: [  0.166666665000000,  0.833333335000000,  0.332585070000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 100    coordinates: [  0.666666665000000,  0.833333335000000,  0.332585070000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 101    coordinates: [  0.166666665000000,  0.333333335000000,  0.832585070000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 102    coordinates: [  0.666666665000000,  0.333333335000000,  0.832585070000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 103    coordinates: [  0.166666665000000,  0.833333335000000,  0.832585070000000 ]    mass: 107.868200    reduced_to: 97  - 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