# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d4d3243c-e268-4619-80a3-da2d9a82dca8/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 YIO / P4/nmm (129) / materials id 753712](https://mdr.nims.go.jp/datasets/f01a32c2-80ef-4be7-a648-6c172fc0b128)

## 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: "P4/nmm"  number: 129  Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.895692040000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.895692040000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.266871589999999 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.116869920000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.883130080000000 ]    mass: 88.905850  - symbol: I  # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.680194390000000 ]    mass: 126.904470  - symbol: I  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.319805610000000 ]    mass: 126.904470  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.256693801699993,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.256693801699993,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.107911282711537 ] # c*unit_cell:  lattice:  - [     3.895692040000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.895692040000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.266871589999999 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.116869920000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.883130080000000 ]    mass: 88.905850    reduced_to: 2  - symbol: I  # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.680194390000000 ]    mass: 126.904470    reduced_to: 3  - symbol: I  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.319805610000000 ]    mass: 126.904470    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 6supercell:  lattice:  - [    11.687076120000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.687076120000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.533743179999998 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.333333333333333,  0.166666666666667,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.666666666666667,  0.166666666666667,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 5    coordinates: [  0.333333333333333,  0.500000000000000,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 6    coordinates: [  0.666666666666667,  0.500000000000000,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 7    coordinates: [  0.000000000000000,  0.833333333333333,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 8    coordinates: [  0.333333333333333,  0.833333333333333,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 9    coordinates: [  0.666666666666667,  0.833333333333333,  0.058434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 10    coordinates: [  0.000000000000000,  0.166666666666667,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 11    coordinates: [  0.333333333333333,  0.166666666666667,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 12    coordinates: [  0.666666666666667,  0.166666666666667,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 14    coordinates: [  0.333333333333333,  0.500000000000000,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 15    coordinates: [  0.666666666666667,  0.500000000000000,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 16    coordinates: [  0.000000000000000,  0.833333333333333,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 17    coordinates: [  0.333333333333333,  0.833333333333333,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 18    coordinates: [  0.666666666666667,  0.833333333333333,  0.558434960000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 19    coordinates: [  0.166666666666667,  0.000000000000000,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 21    coordinates: [  0.833333333333333,  0.000000000000000,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 22    coordinates: [  0.166666666666667,  0.333333333333333,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 23    coordinates: [  0.500000000000000,  0.333333333333333,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 24    coordinates: [  0.833333333333333,  0.333333333333333,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 25    coordinates: [  0.166666666666667,  0.666666666666667,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 26    coordinates: [  0.500000000000000,  0.666666666666667,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 27    coordinates: [  0.833333333333333,  0.666666666666667,  0.441565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 28    coordinates: [  0.166666666666667,  0.000000000000000,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 29    coordinates: [  0.500000000000000,  0.000000000000000,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 30    coordinates: [  0.833333333333333,  0.000000000000000,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 31    coordinates: [  0.166666666666667,  0.333333333333333,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 32    coordinates: [  0.500000000000000,  0.333333333333333,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 33    coordinates: [  0.833333333333333,  0.333333333333333,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 34    coordinates: [  0.166666666666667,  0.666666666666667,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 35    coordinates: [  0.500000000000000,  0.666666666666667,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 36    coordinates: [  0.833333333333333,  0.666666666666667,  0.941565040000000 ]    mass: 88.905850    reduced_to: 19  - symbol: I  # 37    coordinates: [  0.000000000000000,  0.166666666666667,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.333333333333333,  0.166666666666667,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.666666666666667,  0.166666666666667,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.333333333333333,  0.500000000000000,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 42    coordinates: [  0.666666666666667,  0.500000000000000,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 43    coordinates: [  0.000000000000000,  0.833333333333333,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 44    coordinates: [  0.333333333333333,  0.833333333333333,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 45    coordinates: [  0.666666666666667,  0.833333333333333,  0.340097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 46    coordinates: [  0.000000000000000,  0.166666666666667,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 47    coordinates: [  0.333333333333333,  0.166666666666667,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 48    coordinates: [  0.666666666666667,  0.166666666666667,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 49    coordinates: [  0.000000000000000,  0.500000000000000,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 50    coordinates: [  0.333333333333333,  0.500000000000000,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 51    coordinates: [  0.666666666666667,  0.500000000000000,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 52    coordinates: [  0.000000000000000,  0.833333333333333,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 53    coordinates: [  0.333333333333333,  0.833333333333333,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 54    coordinates: [  0.666666666666667,  0.833333333333333,  0.840097195000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 55    coordinates: [  0.166666666666667,  0.000000000000000,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 56    coordinates: [  0.500000000000000,  0.000000000000000,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 57    coordinates: [  0.833333333333333,  0.000000000000000,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 58    coordinates: [  0.166666666666667,  0.333333333333333,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 59    coordinates: [  0.500000000000000,  0.333333333333333,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 60    coordinates: [  0.833333333333333,  0.333333333333333,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 61    coordinates: [  0.166666666666667,  0.666666666666667,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 62    coordinates: [  0.500000000000000,  0.666666666666667,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 63    coordinates: [  0.833333333333333,  0.666666666666667,  0.159902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 64    coordinates: [  0.166666666666667,  0.000000000000000,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 65    coordinates: [  0.500000000000000,  0.000000000000000,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 66    coordinates: [  0.833333333333333,  0.000000000000000,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 67    coordinates: [  0.166666666666667,  0.333333333333333,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 68    coordinates: [  0.500000000000000,  0.333333333333333,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 69    coordinates: [  0.833333333333333,  0.333333333333333,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 70    coordinates: [  0.166666666666667,  0.666666666666667,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 71    coordinates: [  0.500000000000000,  0.666666666666667,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 72    coordinates: [  0.833333333333333,  0.666666666666667,  0.659902805000000 ]    mass: 126.904470    reduced_to: 55  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 83    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 85    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 86    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 87    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 88    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 89    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 90    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 91    coordinates: [  0.166666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 92    coordinates: [  0.500000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 93    coordinates: [  0.833333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 94    coordinates: [  0.166666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 96    coordinates: [  0.833333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 97    coordinates: [  0.166666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 98    coordinates: [  0.500000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 99    coordinates: [  0.833333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 100    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 101    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 102    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 103    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 105    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 106    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 107    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 108    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 91born_effective_charge:- # 1 (Y)  - [  4.349503430000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.349503430000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.863905610000000 ]- # 2 (Y)  - [  4.349503430000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.349503430000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.863905610000000 ]- # 3 (I)  - [ -1.511405880000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.511405880000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.715151760000000 ]- # 4 (I)  - 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