# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18bd41ec-deee-41b6-be51-2d4b37516e8b/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 K3DySi2O7 / P6_3/mcm (193) / materials id 16595](https://mdr.nims.go.jp/datasets/e70e9cf8-3da8-49e8-bf72-cfbbd6626e77)

## 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: "P6_3/mcm"  number: 193  Hall_symbol: "-P 6c 2"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.870799150000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.935399580000000,     8.548362830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.367548350000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.409318470000000,  0.409318470000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.409318470000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.409318470000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.590681530000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.590681530000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.590681530000000,  0.590681530000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.823443610000000,  0.851620430000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.176556390000000,  0.176556390000000,  0.851620430000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.823443610000000,  0.000000000000000,  0.851620430000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.176556390000000,  0.000000000000000,  0.351620430000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.176556390000000,  0.176556390000000,  0.648379570000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.176556390000000,  0.351620430000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.823443610000000,  0.823443610000000,  0.351620430000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.176556390000000,  0.148379570000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.176556390000000,  0.000000000000000,  0.148379570000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.823443610000000,  0.000000000000000,  0.648379570000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.823443610000000,  0.648379570000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.823443610000000,  0.823443610000000,  0.148379570000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.478039890000000,  0.321979770000000,  0.908780520000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.678020230000000,  0.156060120000000,  0.908780520000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.843939880000000,  0.521960110000000,  0.908780520000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.156060120000000,  0.478039890000000,  0.408780520000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.156060120000000,  0.678020230000000,  0.591219480000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.521960110000000,  0.678020230000000,  0.408780520000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.321979770000000,  0.843939880000000,  0.408780520000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.478039890000000,  0.156060120000000,  0.091219480000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.678020230000000,  0.521960110000000,  0.091219480000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.321979770000000,  0.478039890000000,  0.591219480000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.521960110000000,  0.843939880000000,  0.591219480000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.843939880000000,  0.321979770000000,  0.091219480000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.521960110000000,  0.678020230000000,  0.091219480000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.321979770000000,  0.843939880000000,  0.091219480000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.156060120000000,  0.478039890000000,  0.091219480000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.843939880000000,  0.521960110000000,  0.591219480000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.843939880000000,  0.321979770000000,  0.408780520000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.478039890000000,  0.321979770000000,  0.591219480000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.156060120000000,  0.678020230000000,  0.908780520000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.478039890000000,  0.156060120000000,  0.408780520000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.678020230000000,  0.521960110000000,  0.408780520000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.321979770000000,  0.478039890000000,  0.908780520000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.521960110000000,  0.843939880000000,  0.908780520000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.678020230000000,  0.156060120000000,  0.591219480000000 ]    mass: 15.999400  - symbol: Si # 43    coordinates: [  0.000000000000000,  0.658338900000000,  0.857253200000000 ]    mass: 28.085500  - symbol: Si # 44    coordinates: [  0.341661100000000,  0.341661100000000,  0.857253200000000 ]    mass: 28.085500  - symbol: Si # 45    coordinates: [  0.658338900000000,  0.000000000000000,  0.857253200000000 ]    mass: 28.085500  - symbol: Si # 46    coordinates: [  0.341661100000000,  0.000000000000000,  0.357253200000000 ]    mass: 28.085500  - symbol: Si # 47    coordinates: [  0.341661100000000,  0.341661100000000,  0.642746800000000 ]    mass: 28.085500  - symbol: Si # 48    coordinates: [  0.000000000000000,  0.341661100000000,  0.357253200000000 ]    mass: 28.085500  - symbol: Si # 49    coordinates: [  0.658338900000000,  0.658338900000000,  0.357253200000000 ]    mass: 28.085500  - symbol: Si # 50    coordinates: [  0.000000000000000,  0.341661100000000,  0.142746800000000 ]    mass: 28.085500  - symbol: Si # 51    coordinates: [  0.341661100000000,  0.000000000000000,  0.142746800000000 ]    mass: 28.085500  - symbol: Si # 52    coordinates: [  0.658338900000000,  0.000000000000000,  0.642746800000000 ]    mass: 28.085500  - symbol: Si # 53    coordinates: [  0.000000000000000,  0.658338900000000,  0.642746800000000 ]    mass: 28.085500  - symbol: Si # 54    coordinates: [  0.658338900000000,  0.658338900000000,  0.142746800000000 ]    mass: 28.085500  - symbol: K  # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300  - symbol: K  # 56    coordinates: [  0.332690510000000,  0.332690510000000,  0.090944030000000 ]    mass: 39.098300  - symbol: K  # 57    coordinates: [  0.000000000000000,  0.332690510000000,  0.590944030000000 ]    mass: 39.098300  - symbol: K  # 58    coordinates: [  0.332690510000000,  0.000000000000000,  0.590944030000000 ]    mass: 39.098300  - symbol: K  # 59    coordinates: [  0.667309490000000,  0.000000000000000,  0.090944030000000 ]    mass: 39.098300  - symbol: K  # 60    coordinates: [  0.000000000000000,  0.667309490000000,  0.090944030000000 ]    mass: 39.098300  - symbol: K  # 61    coordinates: [  0.332690510000000,  0.332690510000000,  0.409055970000000 ]    mass: 39.098300  - symbol: K  # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 64    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 66    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 67    coordinates: [  0.000000000000000,  0.667309490000000,  0.409055970000000 ]    mass: 39.098300  - symbol: K  # 68    coordinates: [  0.667309490000000,  0.667309490000000,  0.909055970000000 ]    mass: 39.098300  - symbol: K  # 69    coordinates: [  0.332690510000000,  0.000000000000000,  0.909055970000000 ]    mass: 39.098300  - symbol: K  # 70    coordinates: [  0.667309490000000,  0.000000000000000,  0.409055970000000 ]    mass: 39.098300  - symbol: K  # 71    coordinates: [  0.667309490000000,  0.667309490000000,  0.590944030000000 ]    mass: 39.098300  - symbol: K  # 72    coordinates: [  0.000000000000000,  0.332690510000000,  0.909055970000000 ]    mass: 39.098300  - symbol: Dy # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 162.500000  - symbol: Dy # 74    coordinates: [  0.666666670000000,  0.333333330000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 75    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 76    coordinates: [  0.333333330000000,  0.666666670000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 77    coordinates: [  0.666666670000000,  0.333333330000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 78    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [     0.101308919855795,     0.058490732137834,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.116981464157155,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.069601297009034 ] # c*unit_cell:  lattice:  - [     9.870799150000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.935399580000000,     8.548362830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.367548350000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.409318470000000,  0.409318470000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.409318470000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.409318470000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.590681530000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.590681530000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.590681530000000,  0.590681530000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.823443610000000,  0.851620430000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.176556390000000,  0.176556390000000,  0.851620430000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.823443610000000,  0.000000000000000,  0.851620430000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.176556390000000,  0.000000000000000,  0.351620430000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.176556390000000,  0.176556390000000,  0.648379570000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.176556390000000,  0.351620430000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.823443610000000,  0.823443610000000,  0.351620430000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.176556390000000,  0.148379570000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.176556390000000,  0.000000000000000,  0.148379570000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.823443610000000,  0.000000000000000,  0.648379570000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.823443610000000,  0.648379570000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.823443610000000,  0.823443610000000,  0.148379570000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.478039890000000,  0.321979770000000,  0.908780520000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.678020230000000,  0.156060120000000,  0.908780520000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.843939880000000,  0.521960110000000,  0.908780520000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.156060120000000,  0.478039890000000,  0.408780520000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.156060120000000,  0.678020230000000,  0.591219480000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.521960110000000,  0.678020230000000,  0.408780520000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.321979770000000,  0.843939880000000,  0.408780520000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.478039890000000,  0.156060120000000,  0.091219480000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.678020230000000,  0.521960110000000,  0.091219480000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.321979770000000,  0.478039890000000,  0.591219480000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.521960110000000,  0.843939880000000,  0.591219480000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.843939880000000,  0.321979770000000,  0.091219480000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.521960110000000,  0.678020230000000,  0.091219480000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.321979770000000,  0.843939880000000,  0.091219480000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.156060120000000,  0.478039890000000,  0.091219480000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.843939880000000,  0.521960110000000,  0.591219480000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.843939880000000,  0.321979770000000,  0.408780520000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.478039890000000,  0.321979770000000,  0.591219480000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.156060120000000,  0.678020230000000,  0.908780520000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.478039890000000,  0.156060120000000,  0.408780520000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.678020230000000,  0.521960110000000,  0.408780520000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.321979770000000,  0.478039890000000,  0.908780520000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.521960110000000,  0.843939880000000,  0.908780520000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.678020230000000,  0.156060120000000,  0.591219480000000 ]    mass: 15.999400    reduced_to: 42  - symbol: Si # 43    coordinates: [  0.000000000000000,  0.658338900000000,  0.857253200000000 ]    mass: 28.085500    reduced_to: 43  - symbol: Si # 44    coordinates: [  0.341661100000000,  0.341661100000000,  0.857253200000000 ]    mass: 28.085500    reduced_to: 44  - symbol: Si # 45    coordinates: [  0.658338900000000,  0.000000000000000,  0.857253200000000 ]    mass: 28.085500    reduced_to: 45  - symbol: Si # 46    coordinates: [  0.341661100000000,  0.000000000000000,  0.357253200000000 ]    mass: 28.085500    reduced_to: 46  - symbol: Si # 47    coordinates: [  0.341661100000000,  0.341661100000000,  0.642746800000000 ]    mass: 28.085500    reduced_to: 47  - symbol: Si # 48    coordinates: [  0.000000000000000,  0.341661100000000,  0.357253200000000 ]    mass: 28.085500    reduced_to: 48  - symbol: Si # 49    coordinates: [  0.658338900000000,  0.658338900000000,  0.357253200000000 ]    mass: 28.085500    reduced_to: 49  - symbol: Si # 50    coordinates: [  0.000000000000000,  0.341661100000000,  0.142746800000000 ]    mass: 28.085500    reduced_to: 50  - symbol: Si # 51    coordinates: [  0.341661100000000,  0.000000000000000,  0.142746800000000 ]    mass: 28.085500    reduced_to: 51  - symbol: Si # 52    coordinates: [  0.658338900000000,  0.000000000000000,  0.642746800000000 ]    mass: 28.085500    reduced_to: 52  - symbol: Si # 53    coordinates: [  0.000000000000000,  0.658338900000000,  0.642746800000000 ]    mass: 28.085500    reduced_to: 53  - symbol: Si # 54    coordinates: [  0.658338900000000,  0.658338900000000,  0.142746800000000 ]    mass: 28.085500    reduced_to: 54  - symbol: K  # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 55  - symbol: K  # 56    coordinates: [  0.332690510000000,  0.332690510000000,  0.090944030000000 ]    mass: 39.098300    reduced_to: 56  - symbol: K  # 57    coordinates: [  0.000000000000000,  0.332690510000000,  0.590944030000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.332690510000000,  0.000000000000000,  0.590944030000000 ]    mass: 39.098300    reduced_to: 58  - symbol: K  # 59    coordinates: [  0.667309490000000,  0.000000000000000,  0.090944030000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 60    coordinates: [  0.000000000000000,  0.667309490000000,  0.090944030000000 ]    mass: 39.098300    reduced_to: 60  - symbol: K  # 61    coordinates: [  0.332690510000000,  0.332690510000000,  0.409055970000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 62  - symbol: K  # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 64    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 64  - symbol: K  # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 66    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 66  - 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