# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/83e62e78-c9cb-4315-b345-6fde742274d6/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 Sr3DyRhO6 / R-3c (167) / materials id 18651](https://mdr.nims.go.jp/datasets/a3b3bbab-ba74-46f7-9d73-14f8249c6607)

## 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: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.857826123333338,     2.804667223333330,     3.752537523333329 ] # a  - [    -4.857826126666661,     2.804667223333330,     3.752537523333329 ] # b  - [     0.000000003333339,    -5.609334446666669,     3.752537523333329 ] # c  points:  - symbol: O  # 1    coordinates: [  0.790980470000000,  0.589850860000002,  0.455120340000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.589850860000000,  0.455120340000002,  0.790980470000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.455120340000000,  0.790980470000002,  0.589850860000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.044879670000000,  0.910149140000002,  0.709019530000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.910149140000000,  0.709019530000002,  0.044879670000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.709019530000000,  0.044879670000002,  0.910149140000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.209019530000000,  0.410149140000001,  0.544879660000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.410149140000000,  0.544879660000001,  0.209019530000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.544879660000000,  0.209019530000001,  0.410149140000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.955120330000000,  0.089850860000001,  0.290980470000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.290980470000000,  0.955120330000001,  0.089850860000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.089850860000000,  0.290980470000001,  0.955120330000000 ]    mass: 15.999400  - symbol: Sr # 13    coordinates: [  0.619041030000000,  0.880958960000002,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 14    coordinates: [  0.250000000000000,  0.619041030000002,  0.880958960000000 ]    mass: 87.620000  - symbol: Sr # 15    coordinates: [  0.880958960000000,  0.250000000000002,  0.619041030000000 ]    mass: 87.620000  - symbol: Sr # 16    coordinates: [  0.380958970000000,  0.119041040000001,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 17    coordinates: [  0.119041040000000,  0.750000000000001,  0.380958970000000 ]    mass: 87.620000  - symbol: Sr # 18    coordinates: [  0.750000000000000,  0.380958970000001,  0.119041040000000 ]    mass: 87.620000  - symbol: Rh # 19    coordinates: [  0.500000000000000,  0.500000000000002,  0.500000000000000 ]    mass: 102.905500  - symbol: Rh # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500  - symbol: Dy # 21    coordinates: [  0.750000000000000,  0.750000000000002,  0.750000000000000 ]    mass: 162.500000  - symbol: Dy # 22    coordinates: [  0.250000000000000,  0.250000000000001,  0.250000000000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [     0.102926697484464,     0.059424756510018,     0.088828780861127 ] # a*  - [    -0.102926697484464,     0.059424756387690,     0.088828780861127 ] # b*  - [     0.000000000000000,    -0.118849512897708,     0.088828780861127 ] # c*unit_cell:  lattice:  - [     9.715652250000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.857826130000000,     8.414001669999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.257612569999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.178996580000000,  0.156863550000000,  0.611983890000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.977866970000000,  0.821003420000000,  0.611983890000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.843136450000000,  0.022133030000000,  0.611983890000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.490196890000000,  0.845663250000000,  0.554682780000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.355466360000000,  0.509803110000000,  0.554682780000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.154336750000000,  0.644533640000000,  0.554682780000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.821003420000000,  0.843136450000000,  0.388016110000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.022133030000000,  0.178996580000000,  0.388016110000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.156863550000000,  0.977866970000000,  0.388016110000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.509803110000000,  0.154336750000000,  0.445317220000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.845663250000000,  0.355466360000000,  0.445317220000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.644533640000000,  0.490196890000000,  0.445317220000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.845663250000000,  0.490196890000000,  0.945317220000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.644533640000000,  0.154336750000000,  0.945317220000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.509803110000000,  0.355466360000000,  0.945317220000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.156863550000000,  0.178996580000000,  0.888016110000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.022133030000000,  0.843136450000000,  0.888016110000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.821003420000000,  0.977866970000000,  0.888016110000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.487670080000000,  0.176469780000000,  0.721349450000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.688799690000000,  0.512329920000000,  0.721349450000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.823530220000000,  0.311200310000000,  0.721349450000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.176469780000000,  0.487670080000000,  0.778650550000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.512329920000000,  0.688799690000000,  0.778650550000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.311200310000000,  0.823530220000000,  0.778650550000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.512329920000000,  0.823530220000000,  0.278650550000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.311200310000000,  0.487670080000000,  0.278650550000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.176469780000000,  0.688799690000000,  0.278650550000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.823530220000000,  0.512329920000000,  0.221349450000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.688799690000000,  0.176469780000000,  0.221349450000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.487670080000000,  0.311200310000000,  0.221349450000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.154336750000000,  0.509803110000000,  0.054682780000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.355466360000000,  0.845663250000000,  0.054682780000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.490196890000000,  0.644533640000000,  0.054682780000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.843136450000000,  0.821003420000000,  0.111983890000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.178996580000000,  0.022133030000000,  0.111983890000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.977866970000000,  0.156863550000000,  0.111983890000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Sr # 37    coordinates: [  0.035707700000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.666666670000000,  0.702374370000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.297625630000000,  0.964292300000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 40    coordinates: [  0.964292300000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 41    coordinates: [  0.702374370000000,  0.035707700000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 42    coordinates: [  0.333333330000000,  0.297625630000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 43    coordinates: [  0.702374370000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.333333330000000,  0.035707700000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 45    coordinates: [  0.964292300000000,  0.297625630000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 46    coordinates: [  0.630958970000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 47    coordinates: [  0.369041030000000,  0.369041030000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 48    coordinates: [  0.000000000000000,  0.630958970000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 49    coordinates: [  0.369041030000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 50    coordinates: [  0.000000000000000,  0.369041030000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 51    coordinates: [  0.630958970000000,  0.630958970000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 52    coordinates: [  0.297625630000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 53    coordinates: [  0.035707700000000,  0.702374370000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 54    coordinates: [  0.666666670000000,  0.964292300000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Rh # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 55  - symbol: Rh # 56    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 56  - symbol: Rh # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 102.905500    reduced_to: 55  - symbol: Rh # 58    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 102.905500    reduced_to: 56  - symbol: Rh # 59    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 102.905500    reduced_to: 55  - symbol: Rh # 60    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 102.905500    reduced_to: 56  - symbol: Dy # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 61  - symbol: Dy # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 162.500000    reduced_to: 62  - symbol: Dy # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 162.500000    reduced_to: 61  - symbol: Dy # 64    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 162.500000    reduced_to: 62  - symbol: Dy # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 162.500000    reduced_to: 61  - symbol: Dy # 66    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 162.500000    reduced_to: 62supercell:  lattice:  - [     9.715652250000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.857826130000000,     8.414001669999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.257612569999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.178996580000000,  0.156863550000000,  0.611983890000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.977866970000000,  0.821003420000000,  0.611983890000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.843136450000000,  0.022133030000000,  0.611983890000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.490196890000000,  0.845663250000000,  0.554682780000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.355466360000000,  0.509803110000000,  0.554682780000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.154336750000000,  0.644533640000000,  0.554682780000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.821003420000000,  0.843136450000000,  0.388016110000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.022133030000000,  0.178996580000000,  0.388016110000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.156863550000000,  0.977866970000000,  0.388016110000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.509803110000000,  0.154336750000000,  0.445317220000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.845663250000000,  0.355466360000000,  0.445317220000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.644533640000000,  0.490196890000000,  0.445317220000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.845663250000000,  0.490196890000000,  0.945317220000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.644533640000000,  0.154336750000000,  0.945317220000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.509803110000000,  0.355466360000000,  0.945317220000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.156863550000000,  0.178996580000000,  0.888016110000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.022133030000000,  0.843136450000000,  0.888016110000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.821003420000000,  0.977866970000000,  0.888016110000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.487670080000000,  0.176469780000000,  0.721349450000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.688799690000000,  0.512329920000000,  0.721349450000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.823530220000000,  0.311200310000000,  0.721349450000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.176469780000000,  0.487670080000000,  0.778650550000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.512329920000000,  0.688799690000000,  0.778650550000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.311200310000000,  0.823530220000000,  0.778650550000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.512329920000000,  0.823530220000000,  0.278650550000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.311200310000000,  0.487670080000000,  0.278650550000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.176469780000000,  0.688799690000000,  0.278650550000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.823530220000000,  0.512329920000000,  0.221349450000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.688799690000000,  0.176469780000000,  0.221349450000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.487670080000000,  0.311200310000000,  0.221349450000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.154336750000000,  0.509803110000000,  0.054682780000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.355466360000000,  0.845663250000000,  0.054682780000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.490196890000000,  0.644533640000000,  0.054682780000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.843136450000000,  0.821003420000000,  0.111983890000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.178996580000000,  0.022133030000000,  0.111983890000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.977866970000000,  0.156863550000000,  0.111983890000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Sr # 37    coordinates: [  0.035707700000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.666666670000000,  0.702374370000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.297625630000000,  0.964292300000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 40    coordinates: [  0.964292300000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 41    coordinates: [  0.702374370000000,  0.035707700000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 42    coordinates: [  0.333333330000000,  0.297625630000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 43    coordinates: [  0.702374370000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.333333330000000,  0.035707700000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 45    coordinates: [  0.964292300000000,  0.297625630000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 46    coordinates: [  0.630958970000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 47    coordinates: [  0.369041030000000,  0.369041030000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 48    coordinates: [  0.000000000000000,  0.630958970000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 49    coordinates: [  0.369041030000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 50    coordinates: [  0.000000000000000,  0.369041030000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 51    coordinates: [  0.630958970000000,  0.630958970000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 52    coordinates: [  0.297625630000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 53    coordinates: [  0.035707700000000,  0.702374370000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 54    coordinates: [  0.666666670000000,  0.964292300000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 42  - 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