# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c1ef6fc0-56fd-4f27-a497-966ce1f7f183/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 Dy2Sb2O7 / Imma (74) / materials id 769128](https://mdr.nims.go.jp/datasets/d17c3402-f79f-48cc-b333-5f6dea52ddee)

## 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: "Imma"  number: 74  Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -5.255737565000000,     3.832082425000000,     3.646934340000000 ] # a  - [     5.255737565000000,    -3.832082425000000,     3.646934340000000 ] # b  - [     5.255737565000000,     3.832082425000000,    -3.646934340000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Sb # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: O  # 9    coordinates: [  0.797988060000000,  0.170299090000000,  0.373547970000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.769163570000000,  0.519163570000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.751150910000000,  0.131384910000000,  0.880234000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.248849090000000,  0.129083090000000,  0.380234000000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.296751120000000,  0.424440090000000,  0.126452030000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.202011940000000,  0.575559910000000,  0.372311030000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.296751120000000,  0.170299090000000,  0.872311030000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.797988060000000,  0.424440090000000,  0.627688970000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.703248880000000,  0.575559910000000,  0.873547970000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.703248880000000,  0.829700910000000,  0.127688970000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.248849090000000,  0.868615090000000,  0.119766000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.230836430000000,  0.480836430000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.751150910000000,  0.870916910000000,  0.619766000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.202011940000000,  0.829700910000000,  0.626452030000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.130477360491535,     0.137101453819977 ] # a*  - [     0.095134126051060,     0.000000000000000,     0.137101453819977 ] # b*  - [     0.095134126051060,     0.130477360491535,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.511475129999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.664164850000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.293868680000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 6    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Sb # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 10    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 10  - symbol: Sb # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 12    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 12  - symbol: Sb # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 14    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 10  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 16    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 12  - symbol: O  # 17    coordinates: [  0.872929500000000,  0.500618470000000,  0.297369590000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.250000000000000,  0.519163570000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.630234000000000,  0.250000000000000,  0.501150910000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.130234000000000,  0.250000000000000,  0.998849090000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.627070500000000,  0.499381530000000,  0.797369590000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.872929500000000,  0.499381530000000,  0.702630410000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.872929500000000,  0.999381530000000,  0.297369590000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.627070500000000,  0.000618470000000,  0.797369590000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.872929500000000,  0.000618470000000,  0.702630410000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.627070500000000,  0.500618470000000,  0.202630410000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.869766000000000,  0.250000000000000,  0.998849090000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.500000000000000,  0.250000000000000,  0.980836430000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.369766000000000,  0.250000000000000,  0.501150910000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.627070500000000,  0.999381530000000,  0.202630410000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.372929500000000,  0.000618470000000,  0.797369590000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.750000000000000,  0.019163570000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.130234000000000,  0.750000000000000,  0.001150910000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.630234000000000,  0.750000000000000,  0.498849090000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 35    coordinates: [  0.127070500000000,  0.999381530000000,  0.297369590000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 36    coordinates: [  0.372929500000000,  0.999381530000000,  0.202630410000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 37    coordinates: [  0.372929500000000,  0.499381530000000,  0.797369590000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 38    coordinates: [  0.127070500000000,  0.500618470000000,  0.297369590000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 39    coordinates: [  0.372929500000000,  0.500618470000000,  0.202630410000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 40    coordinates: [  0.127070500000000,  0.000618470000000,  0.702630410000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 41    coordinates: [  0.369766000000000,  0.750000000000000,  0.498849090000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 42    coordinates: [  0.000000000000000,  0.750000000000000,  0.480836430000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 43    coordinates: [  0.869766000000000,  0.750000000000000,  0.001150910000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 44    coordinates: [  0.127070500000000,  0.499381530000000,  0.702630410000000 ]    mass: 15.999400    reduced_to: 30supercell:  lattice:  - [    10.511475129999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.664164850000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.587737360000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.750000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 9    coordinates: [  0.750000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 10    coordinates: [  0.750000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 11    coordinates: [  0.250000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 12    coordinates: [  0.250000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 16    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Sb # 17    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 19    coordinates: [  0.250000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.250000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 21    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 22    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 23    coordinates: [  0.750000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 23  - symbol: Sb # 24    coordinates: [  0.750000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 23  - symbol: Sb # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 26    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 27    coordinates: [  0.750000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 30    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 23  - symbol: Sb # 32    coordinates: [  0.250000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 23  - symbol: O  # 33    coordinates: [  0.872929500000000,  0.500618470000000,  0.148684795000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.872929500000000,  0.500618470000000,  0.648684795000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.250000000000000,  0.259581785000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.250000000000000,  0.759581785000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.630234000000000,  0.250000000000000,  0.250575455000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.630234000000000,  0.250000000000000,  0.750575455000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.130234000000000,  0.250000000000000,  0.499424545000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.130234000000000,  0.250000000000000,  0.999424545000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.627070500000000,  0.499381530000000,  0.398684795000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.627070500000000,  0.499381530000000,  0.898684795000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.872929500000000,  0.499381530000000,  0.351315205000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.872929500000000,  0.499381530000000,  0.851315205000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.872929500000000,  0.999381530000000,  0.148684795000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.872929500000000,  0.999381530000000,  0.648684795000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.627070500000000,  0.000618470000000,  0.398684795000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.627070500000000,  0.000618470000000,  0.898684795000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.872929500000000,  0.000618470000000,  0.351315205000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.872929500000000,  0.000618470000000,  0.851315205000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.627070500000000,  0.500618470000000,  0.101315205000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.627070500000000,  0.500618470000000,  0.601315205000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.869766000000000,  0.250000000000000,  0.499424545000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.869766000000000,  0.250000000000000,  0.999424545000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.490418215000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.250000000000000,  0.990418215000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.369766000000000,  0.250000000000000,  0.250575455000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.369766000000000,  0.250000000000000,  0.750575455000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.627070500000000,  0.999381530000000,  0.101315205000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.627070500000000,  0.999381530000000,  0.601315205000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 61    coordinates: [  0.372929500000000,  0.000618470000000,  0.398684795000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 62    coordinates: [  0.372929500000000,  0.000618470000000,  0.898684795000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 63    coordinates: [  0.500000000000000,  0.750000000000000,  0.009581785000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 64    coordinates: [  0.500000000000000,  0.750000000000000,  0.509581785000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 65    coordinates: [  0.130234000000000,  0.750000000000000,  0.000575455000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 66    coordinates: [  0.130234000000000,  0.750000000000000,  0.500575455000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 67    coordinates: [  0.630234000000000,  0.750000000000000,  0.249424545000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 68    coordinates: [  0.630234000000000,  0.750000000000000,  0.749424545000000 ]    mass: 15.999400    reduced_to: 39  - 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