# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/97442bc6-4a43-472d-be80-258746cdae82/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 Dy3Se4O12F / P6_3mc (186) / materials id 555217](https://mdr.nims.go.jp/datasets/eb987d69-ce3e-485a-bd1f-72939d78415d)

## 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_3mc"  number: 186  Hall_symbol: "P 6c -2c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    10.332290499999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.166145250000000,     8.948026060000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.748723330000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.461623890000000,  0.923247780000000,  0.316062640000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.076752220000000,  0.538376110000000,  0.316062640000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.538376110000000,  0.461623890000000,  0.816062640000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.461623890000000,  0.538376110000000,  0.316062640000000 ]    mass: 162.500000  - symbol: Dy # 5    coordinates: [  0.538376110000000,  0.076752220000000,  0.816062640000000 ]    mass: 162.500000  - symbol: Dy # 6    coordinates: [  0.923247780000000,  0.461623890000000,  0.816062640000000 ]    mass: 162.500000  - symbol: Se # 7    coordinates: [  0.690212750000000,  0.845106380000000,  0.085540970000000 ]    mass: 78.960000  - symbol: Se # 8    coordinates: [  0.154893620000000,  0.845106380000000,  0.085540970000000 ]    mass: 78.960000  - symbol: Se # 9    coordinates: [  0.845106380000000,  0.690212750000000,  0.585540970000000 ]    mass: 78.960000  - symbol: Se # 10    coordinates: [  0.845106380000000,  0.154893620000000,  0.585540970000000 ]    mass: 78.960000  - symbol: Se # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.755116830000000 ]    mass: 78.960000  - symbol: Se # 12    coordinates: [  0.309787250000000,  0.154893620000000,  0.585540970000000 ]    mass: 78.960000  - symbol: Se # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.255116830000000 ]    mass: 78.960000  - symbol: Se # 14    coordinates: [  0.154893620000000,  0.309787250000000,  0.085540970000000 ]    mass: 78.960000  - symbol: O  # 15    coordinates: [  0.417313780000000,  0.080693260000000,  0.512339470000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.183821500000000,  0.367643010000000,  0.327712130000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.816178500000000,  0.183821500000000,  0.827712130000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.663379480000000,  0.080693260000000,  0.512339470000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.582686220000000,  0.919306740000000,  0.012339470000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.663379480000000,  0.582686220000000,  0.512339470000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.816178500000000,  0.632356990000000,  0.827712130000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.080693260000000,  0.417313780000000,  0.012339470000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.419482470000000,  0.580517530000000,  0.639172690000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.417313780000000,  0.336620520000000,  0.512339470000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.580517530000000,  0.161035040000000,  0.139172690000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.419482470000000,  0.838964960000000,  0.639172690000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.336620520000000,  0.417313780000000,  0.012339470000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.580517530000000,  0.419482470000000,  0.139172690000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.838964960000000,  0.419482470000000,  0.139172690000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.582686220000000,  0.663379480000000,  0.012339470000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.632356990000000,  0.816178500000000,  0.327712130000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.919306740000000,  0.582686220000000,  0.512339470000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.183821500000000,  0.816178500000000,  0.327712130000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.336620520000000,  0.919306740000000,  0.012339470000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.919306740000000,  0.336620520000000,  0.512339470000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.367643010000000,  0.183821500000000,  0.827712130000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.080693260000000,  0.663379480000000,  0.012339470000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.161035040000000,  0.580517530000000,  0.639172690000000 ]    mass: 15.999400  - symbol: F  # 39    coordinates: [  0.666666670000000,  0.333333330000000,  0.767671160000000 ]    mass: 18.998403  - symbol: F  # 40    coordinates: [  0.333333330000000,  0.666666670000000,  0.267671160000000 ]    mass: 18.998403  reciprocal_lattice: # without 2pi  - [     0.096783960923282,     0.055878245844090,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.111756491688179,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.148176173640830 ] # c*unit_cell:  lattice:  - [    10.332290499999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.166145250000000,     8.948026060000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.748723330000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.461623890000000,  0.923247780000000,  0.316062640000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.076752220000000,  0.538376110000000,  0.316062640000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.538376110000000,  0.461623890000000,  0.816062640000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.461623890000000,  0.538376110000000,  0.316062640000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.538376110000000,  0.076752220000000,  0.816062640000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.923247780000000,  0.461623890000000,  0.816062640000000 ]    mass: 162.500000    reduced_to: 6  - symbol: Se # 7    coordinates: [  0.690212750000000,  0.845106380000000,  0.085540970000000 ]    mass: 78.960000    reduced_to: 7  - symbol: Se # 8    coordinates: [  0.154893620000000,  0.845106380000000,  0.085540970000000 ]    mass: 78.960000    reduced_to: 8  - symbol: Se # 9    coordinates: [  0.845106380000000,  0.690212750000000,  0.585540970000000 ]    mass: 78.960000    reduced_to: 9  - symbol: Se # 10    coordinates: [  0.845106380000000,  0.154893620000000,  0.585540970000000 ]    mass: 78.960000    reduced_to: 10  - symbol: Se # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.755116830000000 ]    mass: 78.960000    reduced_to: 11  - symbol: Se # 12    coordinates: [  0.309787250000000,  0.154893620000000,  0.585540970000000 ]    mass: 78.960000    reduced_to: 12  - symbol: Se # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.255116830000000 ]    mass: 78.960000    reduced_to: 13  - symbol: Se # 14    coordinates: [  0.154893620000000,  0.309787250000000,  0.085540970000000 ]    mass: 78.960000    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.417313780000000,  0.080693260000000,  0.512339470000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.183821500000000,  0.367643010000000,  0.327712130000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.816178500000000,  0.183821500000000,  0.827712130000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.663379480000000,  0.080693260000000,  0.512339470000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.582686220000000,  0.919306740000000,  0.012339470000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.663379480000000,  0.582686220000000,  0.512339470000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.816178500000000,  0.632356990000000,  0.827712130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.080693260000000,  0.417313780000000,  0.012339470000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.419482470000000,  0.580517530000000,  0.639172690000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.417313780000000,  0.336620520000000,  0.512339470000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.580517530000000,  0.161035040000000,  0.139172690000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.419482470000000,  0.838964960000000,  0.639172690000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.336620520000000,  0.417313780000000,  0.012339470000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.580517530000000,  0.419482470000000,  0.139172690000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.838964960000000,  0.419482470000000,  0.139172690000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.582686220000000,  0.663379480000000,  0.012339470000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.632356990000000,  0.816178500000000,  0.327712130000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.919306740000000,  0.582686220000000,  0.512339470000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.183821500000000,  0.816178500000000,  0.327712130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.336620520000000,  0.919306740000000,  0.012339470000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.919306740000000,  0.336620520000000,  0.512339470000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.367643010000000,  0.183821500000000,  0.827712130000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.080693260000000,  0.663379480000000,  0.012339470000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.161035040000000,  0.580517530000000,  0.639172690000000 ]    mass: 15.999400    reduced_to: 38  - symbol: F  # 39    coordinates: [  0.666666670000000,  0.333333330000000,  0.767671160000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 40    coordinates: [  0.333333330000000,  0.666666670000000,  0.267671160000000 ]    mass: 18.998403    reduced_to: 40supercell:  lattice:  - [    10.332290499999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.166145250000000,     8.948026060000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.497446660000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.461623890000000,  0.923247780000000,  0.158031320000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.461623890000000,  0.923247780000000,  0.658031320000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 3    coordinates: [  0.076752220000000,  0.538376110000000,  0.158031320000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.076752220000000,  0.538376110000000,  0.658031320000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 5    coordinates: [  0.538376110000000,  0.461623890000000,  0.408031320000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.538376110000000,  0.461623890000000,  0.908031320000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 7    coordinates: [  0.461623890000000,  0.538376110000000,  0.158031320000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.461623890000000,  0.538376110000000,  0.658031320000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 9    coordinates: [  0.538376110000000,  0.076752220000000,  0.408031320000000 ]    mass: 162.500000    reduced_to: 9  - symbol: Dy # 10    coordinates: [  0.538376110000000,  0.076752220000000,  0.908031320000000 ]    mass: 162.500000    reduced_to: 9  - symbol: Dy # 11    coordinates: [  0.923247780000000,  0.461623890000000,  0.408031320000000 ]    mass: 162.500000    reduced_to: 11  - symbol: Dy # 12    coordinates: [  0.923247780000000,  0.461623890000000,  0.908031320000000 ]    mass: 162.500000    reduced_to: 11  - symbol: Se # 13    coordinates: [  0.690212750000000,  0.845106380000000,  0.042770485000000 ]    mass: 78.960000    reduced_to: 13  - symbol: Se # 14    coordinates: [  0.690212750000000,  0.845106380000000,  0.542770485000000 ]    mass: 78.960000    reduced_to: 13  - symbol: Se # 15    coordinates: [  0.154893620000000,  0.845106380000000,  0.042770485000000 ]    mass: 78.960000    reduced_to: 15  - symbol: Se # 16    coordinates: [  0.154893620000000,  0.845106380000000,  0.542770485000000 ]    mass: 78.960000    reduced_to: 15  - symbol: Se # 17    coordinates: [  0.845106380000000,  0.690212750000000,  0.292770485000000 ]    mass: 78.960000    reduced_to: 17  - symbol: Se # 18    coordinates: [  0.845106380000000,  0.690212750000000,  0.792770485000000 ]    mass: 78.960000    reduced_to: 17  - symbol: Se # 19    coordinates: [  0.845106380000000,  0.154893620000000,  0.292770485000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 20    coordinates: [  0.845106380000000,  0.154893620000000,  0.792770485000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 21    coordinates: [  0.333333330000000,  0.666666670000000,  0.377558415000000 ]    mass: 78.960000    reduced_to: 21  - symbol: Se # 22    coordinates: [  0.333333330000000,  0.666666670000000,  0.877558415000000 ]    mass: 78.960000    reduced_to: 21  - symbol: Se # 23    coordinates: [  0.309787250000000,  0.154893620000000,  0.292770485000000 ]    mass: 78.960000    reduced_to: 23  - symbol: Se # 24    coordinates: [  0.309787250000000,  0.154893620000000,  0.792770485000000 ]    mass: 78.960000    reduced_to: 23  - symbol: Se # 25    coordinates: [  0.666666670000000,  0.333333330000000,  0.127558415000000 ]    mass: 78.960000    reduced_to: 25  - symbol: Se # 26    coordinates: [  0.666666670000000,  0.333333330000000,  0.627558415000000 ]    mass: 78.960000    reduced_to: 25  - symbol: Se # 27    coordinates: [  0.154893620000000,  0.309787250000000,  0.042770485000000 ]    mass: 78.960000    reduced_to: 27  - symbol: Se # 28    coordinates: [  0.154893620000000,  0.309787250000000,  0.542770485000000 ]    mass: 78.960000    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.417313780000000,  0.080693260000000,  0.256169735000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.417313780000000,  0.080693260000000,  0.756169735000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.183821500000000,  0.367643010000000,  0.163856065000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.183821500000000,  0.367643010000000,  0.663856065000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.816178500000000,  0.183821500000000,  0.413856065000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.816178500000000,  0.183821500000000,  0.913856065000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.663379480000000,  0.080693260000000,  0.256169735000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.663379480000000,  0.080693260000000,  0.756169735000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.582686220000000,  0.919306740000000,  0.006169735000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.582686220000000,  0.919306740000000,  0.506169735000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.663379480000000,  0.582686220000000,  0.256169735000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.663379480000000,  0.582686220000000,  0.756169735000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.816178500000000,  0.632356990000000,  0.413856065000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.816178500000000,  0.632356990000000,  0.913856065000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.080693260000000,  0.417313780000000,  0.006169735000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.080693260000000,  0.417313780000000,  0.506169735000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.419482470000000,  0.580517530000000,  0.319586345000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.419482470000000,  0.580517530000000,  0.819586345000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.417313780000000,  0.336620520000000,  0.256169735000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.417313780000000,  0.336620520000000,  0.756169735000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.580517530000000,  0.161035040000000,  0.069586345000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.580517530000000,  0.161035040000000,  0.569586345000000 ]    mass: 15.999400    reduced_to: 49  - 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