# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b870f4e6-815c-4508-96e0-0210372418e0/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 Dy2Ge2O7 / Pnma (62) / materials id 773011](https://mdr.nims.go.jp/datasets/02b2b00f-f64b-4fd2-90d9-7cd5af3ba548)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    13.692010170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.209830609999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.222573080000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.875944560000000,  0.516126760000000,  0.337413210000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.875944560000000,  0.983873240000000,  0.337413210000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.624055440000000,  0.483873240000000,  0.837413210000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.624055440000000,  0.016126760000000,  0.837413210000000 ]    mass: 162.500000  - symbol: Dy # 5    coordinates: [  0.375944560000000,  0.516126760000000,  0.162586790000000 ]    mass: 162.500000  - symbol: Dy # 6    coordinates: [  0.375944560000000,  0.983873240000000,  0.162586790000000 ]    mass: 162.500000  - symbol: Dy # 7    coordinates: [  0.124055440000000,  0.483873240000000,  0.662586790000000 ]    mass: 162.500000  - symbol: Dy # 8    coordinates: [  0.124055440000000,  0.016126760000000,  0.662586790000000 ]    mass: 162.500000  - symbol: Ge # 9    coordinates: [  0.948818580000000,  0.250000000000000,  0.872232430000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.812734580000000,  0.750000000000000,  0.874000110000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.687265420000000,  0.250000000000000,  0.374000110000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.551181420000000,  0.750000000000000,  0.372232430000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.448818580000000,  0.250000000000000,  0.627767570000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.312734580000000,  0.750000000000000,  0.625999890000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.187265420000000,  0.250000000000000,  0.125999890000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.051181420000000,  0.750000000000000,  0.127767570000000 ]    mass: 72.640000  - symbol: O  # 17    coordinates: [  0.950070160000000,  0.066721270000000,  0.702745360000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.950070160000000,  0.433278730000000,  0.702745360000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.918988390000000,  0.750000000000000,  0.081754680000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.890092180000000,  0.250000000000000,  0.169725270000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.845455000000000,  0.750000000000000,  0.553961380000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.762430580000000,  0.574066250000000,  0.007735440000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.762430580000000,  0.925933750000000,  0.007735440000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.737569420000000,  0.425933750000000,  0.507735440000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.737569420000000,  0.074066250000000,  0.507735440000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.654545000000000,  0.250000000000000,  0.053961380000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.609907820000000,  0.750000000000000,  0.669725270000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.581011610000000,  0.250000000000000,  0.581754680000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.549929840000000,  0.933278730000000,  0.202745360000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.549929840000000,  0.566721270000000,  0.202745360000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.450070160000000,  0.066721270000000,  0.797254640000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.450070160000000,  0.433278730000000,  0.797254640000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.418988390000000,  0.750000000000000,  0.418245320000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.390092180000000,  0.250000000000000,  0.330274730000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.345455000000000,  0.750000000000000,  0.946038620000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.262430580000000,  0.574066250000000,  0.492264560000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.262430580000000,  0.925933750000000,  0.492264560000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.237569420000000,  0.425933750000000,  0.992264560000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.237569420000000,  0.074066250000000,  0.992264560000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.154545000000000,  0.250000000000000,  0.446038620000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.109907820000000,  0.750000000000000,  0.830274730000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.081011610000000,  0.250000000000000,  0.918245320000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.049929840000000,  0.933278730000000,  0.297254640000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.049929840000000,  0.566721270000000,  0.297254640000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.073035294860579,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.121805192762680,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.191476497251811 ] # c*unit_cell:  lattice:  - [    13.692010170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.209830609999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.222573080000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.875944560000000,  0.516126760000000,  0.337413210000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.875944560000000,  0.983873240000000,  0.337413210000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.624055440000000,  0.483873240000000,  0.837413210000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.624055440000000,  0.016126760000000,  0.837413210000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.375944560000000,  0.516126760000000,  0.162586790000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.375944560000000,  0.983873240000000,  0.162586790000000 ]    mass: 162.500000    reduced_to: 6  - symbol: Dy # 7    coordinates: [  0.124055440000000,  0.483873240000000,  0.662586790000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.124055440000000,  0.016126760000000,  0.662586790000000 ]    mass: 162.500000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.948818580000000,  0.250000000000000,  0.872232430000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.812734580000000,  0.750000000000000,  0.874000110000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.687265420000000,  0.250000000000000,  0.374000110000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.551181420000000,  0.750000000000000,  0.372232430000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.448818580000000,  0.250000000000000,  0.627767570000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.312734580000000,  0.750000000000000,  0.625999890000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.187265420000000,  0.250000000000000,  0.125999890000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.051181420000000,  0.750000000000000,  0.127767570000000 ]    mass: 72.640000    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.950070160000000,  0.066721270000000,  0.702745360000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.950070160000000,  0.433278730000000,  0.702745360000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.918988390000000,  0.750000000000000,  0.081754680000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.890092180000000,  0.250000000000000,  0.169725270000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.845455000000000,  0.750000000000000,  0.553961380000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.762430580000000,  0.574066250000000,  0.007735440000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.762430580000000,  0.925933750000000,  0.007735440000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.737569420000000,  0.425933750000000,  0.507735440000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.737569420000000,  0.074066250000000,  0.507735440000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.654545000000000,  0.250000000000000,  0.053961380000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.609907820000000,  0.750000000000000,  0.669725270000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.581011610000000,  0.250000000000000,  0.581754680000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.549929840000000,  0.933278730000000,  0.202745360000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.549929840000000,  0.566721270000000,  0.202745360000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.450070160000000,  0.066721270000000,  0.797254640000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.450070160000000,  0.433278730000000,  0.797254640000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.418988390000000,  0.750000000000000,  0.418245320000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.390092180000000,  0.250000000000000,  0.330274730000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.345455000000000,  0.750000000000000,  0.946038620000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.262430580000000,  0.574066250000000,  0.492264560000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.262430580000000,  0.925933750000000,  0.492264560000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.237569420000000,  0.425933750000000,  0.992264560000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.237569420000000,  0.074066250000000,  0.992264560000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.154545000000000,  0.250000000000000,  0.446038620000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.109907820000000,  0.750000000000000,  0.830274730000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.081011610000000,  0.250000000000000,  0.918245320000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.049929840000000,  0.933278730000000,  0.297254640000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.049929840000000,  0.566721270000000,  0.297254640000000 ]    mass: 15.999400    reduced_to: 44supercell:  lattice:  - [    13.692010170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.209830609999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.445146160000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.875944560000000,  0.516126760000000,  0.168706605000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.875944560000000,  0.516126760000000,  0.668706605000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 3    coordinates: [  0.875944560000000,  0.983873240000000,  0.168706605000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.875944560000000,  0.983873240000000,  0.668706605000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 5    coordinates: [  0.624055440000000,  0.483873240000000,  0.418706605000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.624055440000000,  0.483873240000000,  0.918706605000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 7    coordinates: [  0.624055440000000,  0.016126760000000,  0.418706605000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.624055440000000,  0.016126760000000,  0.918706605000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 9    coordinates: [  0.375944560000000,  0.516126760000000,  0.081293395000000 ]    mass: 162.500000    reduced_to: 9  - symbol: Dy # 10    coordinates: [  0.375944560000000,  0.516126760000000,  0.581293395000000 ]    mass: 162.500000    reduced_to: 9  - symbol: Dy # 11    coordinates: [  0.375944560000000,  0.983873240000000,  0.081293395000000 ]    mass: 162.500000    reduced_to: 11  - symbol: Dy # 12    coordinates: [  0.375944560000000,  0.983873240000000,  0.581293395000000 ]    mass: 162.500000    reduced_to: 11  - symbol: Dy # 13    coordinates: [  0.124055440000000,  0.483873240000000,  0.331293395000000 ]    mass: 162.500000    reduced_to: 13  - symbol: Dy # 14    coordinates: [  0.124055440000000,  0.483873240000000,  0.831293395000000 ]    mass: 162.500000    reduced_to: 13  - symbol: Dy # 15    coordinates: [  0.124055440000000,  0.016126760000000,  0.331293395000000 ]    mass: 162.500000    reduced_to: 15  - symbol: Dy # 16    coordinates: [  0.124055440000000,  0.016126760000000,  0.831293395000000 ]    mass: 162.500000    reduced_to: 15  - symbol: Ge # 17    coordinates: [  0.948818580000000,  0.250000000000000,  0.436116215000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.948818580000000,  0.250000000000000,  0.936116215000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 19    coordinates: [  0.812734580000000,  0.750000000000000,  0.437000055000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.812734580000000,  0.750000000000000,  0.937000055000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 21    coordinates: [  0.687265420000000,  0.250000000000000,  0.187000055000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.687265420000000,  0.250000000000000,  0.687000055000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 23    coordinates: [  0.551181420000000,  0.750000000000000,  0.186116215000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.551181420000000,  0.750000000000000,  0.686116215000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 25    coordinates: [  0.448818580000000,  0.250000000000000,  0.313883785000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.448818580000000,  0.250000000000000,  0.813883785000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 27    coordinates: [  0.312734580000000,  0.750000000000000,  0.312999945000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.312734580000000,  0.750000000000000,  0.812999945000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 29    coordinates: [  0.187265420000000,  0.250000000000000,  0.062999945000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.187265420000000,  0.250000000000000,  0.562999945000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 31    coordinates: [  0.051181420000000,  0.750000000000000,  0.063883785000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.051181420000000,  0.750000000000000,  0.563883785000000 ]    mass: 72.640000    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.950070160000000,  0.066721270000000,  0.351372680000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.950070160000000,  0.066721270000000,  0.851372680000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.950070160000000,  0.433278730000000,  0.351372680000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.950070160000000,  0.433278730000000,  0.851372680000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.918988390000000,  0.750000000000000,  0.040877340000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.918988390000000,  0.750000000000000,  0.540877340000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.890092180000000,  0.250000000000000,  0.084862635000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.890092180000000,  0.250000000000000,  0.584862635000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.845455000000000,  0.750000000000000,  0.276980690000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.845455000000000,  0.750000000000000,  0.776980690000000 ]    mass: 15.999400    reduced_to: 41  - 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