# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/56760c5a-3f27-468c-b5cf-3784de9288bb/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 YAgO2 / P6_3/mmc (194) / materials id 30250](https://mdr.nims.go.jp/datasets/825182bd-bed7-4ccb-8d24-d45692186cf1)

## 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: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.485964400000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.742982210000000,     3.018933730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.258638260000000 ] # c  points:  - symbol: Ag # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 107.868200  - symbol: Ag # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 107.868200  - symbol: Y  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.083995750000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.583995750000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.916004250000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.416004250000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.286864662186453,     0.165621390724813,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.331242779549189,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.081575129210151 ] # c*unit_cell:  lattice:  - [     3.485964400000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.742982210000000,     3.018933730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.258638260000000 ] # c  points:  - symbol: Ag # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.083995750000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.583995750000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.916004250000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.416004250000000 ]    mass: 15.999400    reduced_to: 8supercell:  lattice:  - [    13.943857599999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.971928840000000,    12.075734920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.258638260000000 ] # c  points:  - symbol: Ag # 1    coordinates: [  0.083333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 2    coordinates: [  0.333333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 3    coordinates: [  0.583333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 4    coordinates: [  0.833333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 5    coordinates: [  0.083333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 6    coordinates: [  0.333333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 7    coordinates: [  0.583333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 8    coordinates: [  0.833333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 9    coordinates: [  0.083333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 10    coordinates: [  0.333333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 11    coordinates: [  0.583333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 12    coordinates: [  0.833333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 13    coordinates: [  0.083333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 14    coordinates: [  0.333333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 15    coordinates: [  0.583333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 16    coordinates: [  0.833333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 1  - symbol: Ag # 17    coordinates: [  0.166666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 18    coordinates: [  0.416666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 19    coordinates: [  0.666666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 20    coordinates: [  0.916666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 21    coordinates: [  0.166666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 22    coordinates: [  0.416666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 23    coordinates: [  0.666666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 24    coordinates: [  0.916666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 25    coordinates: [  0.166666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 26    coordinates: [  0.416666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 27    coordinates: [  0.666666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 28    coordinates: [  0.916666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 29    coordinates: [  0.166666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 30    coordinates: [  0.416666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 31    coordinates: [  0.666666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 32    coordinates: [  0.916666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Y  # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 50    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 54    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 58    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 61    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 62    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 63    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 64    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: O  # 65    coordinates: [  0.083333332500000,  0.166666667500000,  0.083995750000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.333333332500000,  0.166666667500000,  0.083995750000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.583333332500000,  0.166666667500000,  0.083995750000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.833333332500000,  0.166666667500000,  0.083995750000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.083333332500000,  0.416666667500000,  0.083995750000000 ]    mass: 15.999400    reduced_to: 65  - 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symbol: O  # 126    coordinates: [  0.333333332500000,  0.916666667500000,  0.416004250000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 127    coordinates: [  0.583333332500000,  0.916666667500000,  0.416004250000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 128    coordinates: [  0.833333332500000,  0.916666667500000,  0.416004250000000 ]    mass: 15.999400    reduced_to: 113born_effective_charge:- # 1 (Ag)  - [  0.240754810000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.240754810000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.636076010000000 ]- # 2 (Ag)  - [  0.240754810000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.240754810000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.636076010000000 ]- # 3 (Y)  - [  4.240290970000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.240290970000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.380481380000000 ]- # 4 (Y)  - [  4.240290970000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.240290970000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.380481380000000 ]- # 5 (O)  - [ -2.240522890000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.240522890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.508278700000000 ]- # 6 (O)  - [ -2.240522890000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.240522890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.508278700000000 ]- # 7 (O)  - [ -2.240522890000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.240522890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.508278700000000 ]- # 8 (O)  - [ -2.240522890000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.240522890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.508278700000000 ]dielectric_constant:  - 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