# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f97869ab-d506-43e2-95ed-c5720a0d3a6f/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 KY3F10 / Fm-3m (225) / materials id 2943](https://mdr.nims.go.jp/datasets/2aa95e17-7f3d-409f-8d9c-b5bfedbcc6af)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     5.748351560000000,     5.748351560000000 ] # a  - [     5.748351560000000,     0.000000000000000,     5.748351560000000 ] # b  - [     5.748351560000000,     5.748351560000000,     0.000000000000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.831405100000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.168594900000000,  0.500000000000000,  0.831405100000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.831405100000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.500000000000000,  0.168594900000000,  0.831405100000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.500000000000000,  0.831405100000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.168594900000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.500000000000000,  0.831405100000000,  0.168594900000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.831405100000000,  0.168594900000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.111851820000000,  0.111851820000000,  0.664444540000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.335555460000000,  0.888148180000000,  0.888148180000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.888148180000000,  0.888148180000000,  0.888148180000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.888148180000000,  0.335555460000000,  0.888148180000000 ]    mass: 18.998403  - symbol: F  # 13    coordinates: [  0.111851820000000,  0.111851820000000,  0.111851820000000 ]    mass: 18.998403  - symbol: F  # 14    coordinates: [  0.111851820000000,  0.664444540000000,  0.111851820000000 ]    mass: 18.998403  - symbol: F  # 15    coordinates: [  0.664444540000000,  0.111851820000000,  0.111851820000000 ]    mass: 18.998403  - symbol: F  # 16    coordinates: [  0.888148180000000,  0.888148180000000,  0.335555460000000 ]    mass: 18.998403  - symbol: F  # 17    coordinates: [  0.500000000000000,  0.500000000000000,  0.168594900000000 ]    mass: 18.998403  - symbol: F  # 18    coordinates: [  0.831405100000000,  0.500000000000000,  0.168594900000000 ]    mass: 18.998403  - symbol: F  # 19    coordinates: [  0.500000000000000,  0.168594900000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 20    coordinates: [  0.168594900000000,  0.831405100000000,  0.500000000000000 ]    mass: 18.998403  - symbol: K  # 21    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 22    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300  - symbol: Y  # 23    coordinates: [  0.759850890000000,  0.759850890000000,  0.240149110000000 ]    mass: 88.905850  - symbol: Y  # 24    coordinates: [  0.240149110000000,  0.759850890000000,  0.759850890000000 ]    mass: 88.905850  - symbol: Y  # 25    coordinates: [  0.759850890000000,  0.240149110000000,  0.240149110000000 ]    mass: 88.905850  - symbol: Y  # 26    coordinates: [  0.759850890000000,  0.240149110000000,  0.759850890000000 ]    mass: 88.905850  - symbol: Y  # 27    coordinates: [  0.240149110000000,  0.759850890000000,  0.240149110000000 ]    mass: 88.905850  - symbol: Y  # 28    coordinates: [  0.240149110000000,  0.240149110000000,  0.759850890000000 ]    mass: 88.905850  reciprocal_lattice: # without 2pi  - [    -0.086981458037337,     0.086981458037337,     0.086981458037337 ] # a*  - [     0.086981458037337,    -0.086981458037337,     0.086981458037337 ] # b*  - [     0.086981458037337,     0.086981458037337,    -0.086981458037337 ] # c*unit_cell:  lattice:  - [    11.496703119999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.496703119999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.496703119999999 ] # c  points:  - symbol: F  # 1    coordinates: [  0.665702550000000,  0.165702550000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.665702550000000,  0.000000000000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.165702550000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.500000000000000,  0.165702550000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.665702550000000,  0.000000000000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.834297450000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.500000000000000,  0.834297450000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.334297450000000,  0.165702550000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.388148180000000,  0.388148180000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.888148180000000,  0.611851820000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.888148180000000,  0.888148180000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.611851820000000,  0.888148180000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 13    coordinates: [  0.111851820000000,  0.111851820000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.388148180000000,  0.111851820000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 15    coordinates: [  0.111851820000000,  0.388148180000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.611851820000000,  0.611851820000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.334297450000000,  0.834297450000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.334297450000000,  0.000000000000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.334297450000000,  0.000000000000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.665702550000000,  0.834297450000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.665702550000000,  0.665702550000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 22    coordinates: [  0.665702550000000,  0.500000000000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 23    coordinates: [  0.500000000000000,  0.665702550000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 24    coordinates: [  0.500000000000000,  0.665702550000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 25    coordinates: [  0.665702550000000,  0.500000000000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 26    coordinates: [  0.500000000000000,  0.334297450000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 27    coordinates: [  0.500000000000000,  0.334297450000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 28    coordinates: [  0.334297450000000,  0.665702550000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 29    coordinates: [  0.388148180000000,  0.888148180000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 30    coordinates: [  0.888148180000000,  0.111851820000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 31    coordinates: [  0.888148180000000,  0.388148180000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 32    coordinates: [  0.611851820000000,  0.388148180000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 33    coordinates: [  0.111851820000000,  0.611851820000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 34    coordinates: [  0.388148180000000,  0.611851820000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 35    coordinates: [  0.111851820000000,  0.888148180000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 36    coordinates: [  0.611851820000000,  0.111851820000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 37    coordinates: [  0.334297450000000,  0.334297450000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 38    coordinates: [  0.334297450000000,  0.500000000000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 39    coordinates: [  0.334297450000000,  0.500000000000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 40    coordinates: [  0.665702550000000,  0.334297450000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 41    coordinates: [  0.165702550000000,  0.165702550000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 42    coordinates: [  0.165702550000000,  0.000000000000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 43    coordinates: [  0.000000000000000,  0.165702550000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 44    coordinates: [  0.000000000000000,  0.165702550000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 45    coordinates: [  0.165702550000000,  0.000000000000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 46    coordinates: [  0.000000000000000,  0.834297450000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 47    coordinates: [  0.000000000000000,  0.834297450000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 48    coordinates: [  0.834297450000000,  0.165702550000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 49    coordinates: [  0.888148180000000,  0.388148180000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 50    coordinates: [  0.388148180000000,  0.611851820000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 51    coordinates: [  0.388148180000000,  0.888148180000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 52    coordinates: [  0.111851820000000,  0.888148180000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 53    coordinates: [  0.611851820000000,  0.111851820000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 54    coordinates: [  0.888148180000000,  0.111851820000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 55    coordinates: [  0.611851820000000,  0.388148180000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 56    coordinates: [  0.111851820000000,  0.611851820000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 57    coordinates: [  0.834297450000000,  0.834297450000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 58    coordinates: [  0.834297450000000,  0.000000000000000,  0.665702550000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 59    coordinates: [  0.834297450000000,  0.000000000000000,  0.334297450000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 60    coordinates: [  0.165702550000000,  0.834297450000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 61    coordinates: [  0.165702550000000,  0.665702550000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 62    coordinates: [  0.165702550000000,  0.500000000000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 63    coordinates: [  0.000000000000000,  0.665702550000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 64    coordinates: [  0.000000000000000,  0.665702550000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 65    coordinates: [  0.165702550000000,  0.500000000000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 66    coordinates: [  0.000000000000000,  0.334297450000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 67    coordinates: [  0.000000000000000,  0.334297450000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 68    coordinates: [  0.834297450000000,  0.665702550000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 69    coordinates: [  0.888148180000000,  0.888148180000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 70    coordinates: [  0.388148180000000,  0.111851820000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 71    coordinates: [  0.388148180000000,  0.388148180000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 72    coordinates: [  0.111851820000000,  0.388148180000000,  0.611851820000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 73    coordinates: [  0.611851820000000,  0.611851820000000,  0.111851820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 74    coordinates: [  0.888148180000000,  0.611851820000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 75    coordinates: [  0.611851820000000,  0.888148180000000,  0.388148180000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 76    coordinates: [  0.111851820000000,  0.111851820000000,  0.888148180000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 77    coordinates: [  0.834297450000000,  0.334297450000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 78    coordinates: [  0.834297450000000,  0.500000000000000,  0.165702550000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 79    coordinates: [  0.834297450000000,  0.500000000000000,  0.834297450000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 80    coordinates: [  0.165702550000000,  0.334297450000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: K  # 81    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 81  - symbol: K  # 82    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 82  - symbol: K  # 83    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 81  - symbol: K  # 84    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 82  - symbol: K  # 85    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 81  - symbol: K  # 86    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 82  - symbol: K  # 87    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 81  - symbol: K  # 88    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 82  - symbol: Y  # 89    coordinates: [  0.500000000000000,  0.000000000000000,  0.259850890000000 ]    mass: 88.905850    reduced_to: 89  - symbol: Y  # 90    coordinates: [  0.759850890000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 90  - symbol: Y  # 91    coordinates: [  0.240149110000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 92    coordinates: [  0.500000000000000,  0.259850890000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 92  - symbol: Y  # 93    coordinates: [  0.500000000000000,  0.740149110000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 93  - symbol: Y  # 94    coordinates: [  0.500000000000000,  0.000000000000000,  0.740149110000000 ]    mass: 88.905850    reduced_to: 94  - symbol: Y  # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.759850890000000 ]    mass: 88.905850    reduced_to: 89  - symbol: Y  # 96    coordinates: [  0.759850890000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 90  - symbol: Y  # 97    coordinates: [  0.240149110000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 98    coordinates: [  0.500000000000000,  0.759850890000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 92  - symbol: Y  # 99    coordinates: [  0.500000000000000,  0.240149110000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 93  - symbol: Y  # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.240149110000000 ]    mass: 88.905850    reduced_to: 94  - symbol: Y  # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.759850890000000 ]    mass: 88.905850    reduced_to: 89  - symbol: Y  # 102    coordinates: [  0.259850890000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 90  - symbol: Y  # 103    coordinates: [  0.740149110000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 104    coordinates: [  0.000000000000000,  0.259850890000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 92  - symbol: Y  # 105    coordinates: [  0.000000000000000,  0.740149110000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 93  - symbol: Y  # 106    coordinates: [  0.000000000000000,  0.000000000000000,  0.240149110000000 ]    mass: 88.905850    reduced_to: 94  - symbol: Y  # 107    coordinates: [  0.000000000000000,  0.500000000000000,  0.259850890000000 ]    mass: 88.905850    reduced_to: 89  - symbol: Y  # 108    coordinates: [  0.259850890000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 90  - symbol: Y  # 109    coordinates: [  0.740149110000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 91  - 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