# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/56edc84d-bf37-4d85-98da-6f0c63d52293/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 / P4_12_12 (92) / materials id 772793](https://mdr.nims.go.jp/datasets/f776ebd6-541e-4c73-8314-dc2c246e7a06)

## 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: "P4_12_12"  number: 92  Hall_symbol: "P 4abw 2nw"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.791744940000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.791744940000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.366308849999999 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.353482410000000,  0.873666810000000,  0.364401580000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.626333190000000,  0.853482410000000,  0.614401580000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.126333190000000,  0.646517590000000,  0.135598420000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.853482410000000,  0.626333190000000,  0.385598420000000 ]    mass: 162.500000  - symbol: Dy # 5    coordinates: [  0.146517590000000,  0.373666810000000,  0.885598420000000 ]    mass: 162.500000  - symbol: Dy # 6    coordinates: [  0.873666810000000,  0.353482410000000,  0.635598420000000 ]    mass: 162.500000  - symbol: Dy # 7    coordinates: [  0.373666810000000,  0.146517590000000,  0.114401580000000 ]    mass: 162.500000  - symbol: Dy # 8    coordinates: [  0.646517590000000,  0.126333190000000,  0.864401580000000 ]    mass: 162.500000  - symbol: Ge # 9    coordinates: [  0.151662200000000,  0.899975400000000,  0.881163830000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.100024600000000,  0.848337800000000,  0.618836170000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.600024600000000,  0.651662200000000,  0.131163830000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.651662200000000,  0.600024600000000,  0.868836170000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.348337800000000,  0.399975400000000,  0.368836170000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.399975400000000,  0.348337800000000,  0.631163830000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.899975400000000,  0.151662200000000,  0.118836170000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.848337800000000,  0.100024600000000,  0.381163830000000 ]    mass: 72.640000  - symbol: O  # 17    coordinates: [  0.078236370000000,  0.966973130000000,  0.122283310000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.662208210000000,  0.934427640000000,  0.428753850000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.033026870000000,  0.921763630000000,  0.377716690000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.318157060000000,  0.856287750000000,  0.544410350000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.434427640000000,  0.837791790000000,  0.178753850000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.643712250000000,  0.818157060000000,  0.794410350000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.197244360000000,  0.802755640000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.697244360000000,  0.697244360000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.143712250000000,  0.681842940000000,  0.955589650000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.934427640000000,  0.662208210000000,  0.571246150000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.818157060000000,  0.643712250000000,  0.205589650000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.533026870000000,  0.578236370000000,  0.372283310000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.162208210000000,  0.565572360000000,  0.321246150000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.578236370000000,  0.533026870000000,  0.627716690000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.421763630000000,  0.466973130000000,  0.127716690000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.837791790000000,  0.434427640000000,  0.821246150000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.466973130000000,  0.421763630000000,  0.872283310000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.181842940000000,  0.356287750000000,  0.705589650000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.065572360000000,  0.337791790000000,  0.071246150000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.856287750000000,  0.318157060000000,  0.455589650000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.302755640000000,  0.302755640000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.802755640000000,  0.197244360000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.356287750000000,  0.181842940000000,  0.294410350000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.565572360000000,  0.162208210000000,  0.678753850000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.681842940000000,  0.143712250000000,  0.044410350000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.966973130000000,  0.078236370000000,  0.877716690000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.337791790000000,  0.065572360000000,  0.928753850000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.921763630000000,  0.033026870000000,  0.622283310000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.147237566904272,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.147237566904272,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.080864873433919 ] # c*unit_cell:  lattice:  - [     6.791744940000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.791744940000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.366308849999999 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.353482410000000,  0.873666810000000,  0.364401580000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.626333190000000,  0.853482410000000,  0.614401580000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.126333190000000,  0.646517590000000,  0.135598420000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.853482410000000,  0.626333190000000,  0.385598420000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.146517590000000,  0.373666810000000,  0.885598420000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.873666810000000,  0.353482410000000,  0.635598420000000 ]    mass: 162.500000    reduced_to: 6  - symbol: Dy # 7    coordinates: [  0.373666810000000,  0.146517590000000,  0.114401580000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.646517590000000,  0.126333190000000,  0.864401580000000 ]    mass: 162.500000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.151662200000000,  0.899975400000000,  0.881163830000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.100024600000000,  0.848337800000000,  0.618836170000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.600024600000000,  0.651662200000000,  0.131163830000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.651662200000000,  0.600024600000000,  0.868836170000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.348337800000000,  0.399975400000000,  0.368836170000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.399975400000000,  0.348337800000000,  0.631163830000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.899975400000000,  0.151662200000000,  0.118836170000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.848337800000000,  0.100024600000000,  0.381163830000000 ]    mass: 72.640000    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.078236370000000,  0.966973130000000,  0.122283310000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.662208210000000,  0.934427640000000,  0.428753850000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.033026870000000,  0.921763630000000,  0.377716690000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.318157060000000,  0.856287750000000,  0.544410350000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.434427640000000,  0.837791790000000,  0.178753850000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.643712250000000,  0.818157060000000,  0.794410350000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.197244360000000,  0.802755640000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.697244360000000,  0.697244360000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.143712250000000,  0.681842940000000,  0.955589650000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.934427640000000,  0.662208210000000,  0.571246150000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.818157060000000,  0.643712250000000,  0.205589650000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.533026870000000,  0.578236370000000,  0.372283310000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.162208210000000,  0.565572360000000,  0.321246150000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.578236370000000,  0.533026870000000,  0.627716690000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.421763630000000,  0.466973130000000,  0.127716690000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.837791790000000,  0.434427640000000,  0.821246150000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.466973130000000,  0.421763630000000,  0.872283310000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.181842940000000,  0.356287750000000,  0.705589650000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.065572360000000,  0.337791790000000,  0.071246150000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.856287750000000,  0.318157060000000,  0.455589650000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.302755640000000,  0.302755640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.802755640000000,  0.197244360000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.356287750000000,  0.181842940000000,  0.294410350000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.565572360000000,  0.162208210000000,  0.678753850000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.681842940000000,  0.143712250000000,  0.044410350000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.966973130000000,  0.078236370000000,  0.877716690000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.337791790000000,  0.065572360000000,  0.928753850000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.921763630000000,  0.033026870000000,  0.622283310000000 ]    mass: 15.999400    reduced_to: 44supercell:  lattice:  - [     6.791744940000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.791744940000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.366308849999999 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.353482410000000,  0.873666810000000,  0.364401580000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.626333190000000,  0.853482410000000,  0.614401580000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.126333190000000,  0.646517590000000,  0.135598420000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.853482410000000,  0.626333190000000,  0.385598420000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.146517590000000,  0.373666810000000,  0.885598420000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.873666810000000,  0.353482410000000,  0.635598420000000 ]    mass: 162.500000    reduced_to: 6  - symbol: Dy # 7    coordinates: [  0.373666810000000,  0.146517590000000,  0.114401580000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.646517590000000,  0.126333190000000,  0.864401580000000 ]    mass: 162.500000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.151662200000000,  0.899975400000000,  0.881163830000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.100024600000000,  0.848337800000000,  0.618836170000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.600024600000000,  0.651662200000000,  0.131163830000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.651662200000000,  0.600024600000000,  0.868836170000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.348337800000000,  0.399975400000000,  0.368836170000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.399975400000000,  0.348337800000000,  0.631163830000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.899975400000000,  0.151662200000000,  0.118836170000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.848337800000000,  0.100024600000000,  0.381163830000000 ]    mass: 72.640000    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.078236370000000,  0.966973130000000,  0.122283310000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.662208210000000,  0.934427640000000,  0.428753850000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.033026870000000,  0.921763630000000,  0.377716690000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.318157060000000,  0.856287750000000,  0.544410350000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.434427640000000,  0.837791790000000,  0.178753850000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.643712250000000,  0.818157060000000,  0.794410350000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.197244360000000,  0.802755640000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.697244360000000,  0.697244360000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.143712250000000,  0.681842940000000,  0.955589650000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.934427640000000,  0.662208210000000,  0.571246150000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.818157060000000,  0.643712250000000,  0.205589650000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.533026870000000,  0.578236370000000,  0.372283310000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.162208210000000,  0.565572360000000,  0.321246150000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.578236370000000,  0.533026870000000,  0.627716690000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.421763630000000,  0.466973130000000,  0.127716690000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.837791790000000,  0.434427640000000,  0.821246150000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.466973130000000,  0.421763630000000,  0.872283310000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.181842940000000,  0.356287750000000,  0.705589650000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.065572360000000,  0.337791790000000,  0.071246150000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.856287750000000,  0.318157060000000,  0.455589650000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.302755640000000,  0.302755640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.802755640000000,  0.197244360000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.356287750000000,  0.181842940000000,  0.294410350000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.565572360000000,  0.162208210000000,  0.678753850000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.681842940000000,  0.143712250000000,  0.044410350000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.966973130000000,  0.078236370000000,  0.877716690000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.337791790000000,  0.065572360000000,  0.928753850000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.921763630000000,  0.033026870000000,  0.622283310000000 ]    mass: 15.999400    reduced_to: 44displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1569238100000000,  0.0076338300000000, -0.0023944900000000 ]  - [   0.0004337400000000, -0.0024459300000000,  0.0169591900000000 ]  - [  -0.0007221800000000,  0.0046358000000000,  0.0119431800000000 ]  - [   0.0346680800000000,  0.0030733900000000, -0.0003276600000000 ]  - [  -0.0004091600000000, -0.0000631600000000, -0.0000450000000000 ]  - [   0.0013685400000000,  0.0002911600000000, -0.0003975500000000 ]  - [  -0.0048954100000000,  0.0024060400000000, -0.0006713900000000 ]  - 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