# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/df83f0f7-35b3-44e2-be33-f8388ff5be88/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 DyTa7O19 / P-6c2 (188) / materials id 15492](https://mdr.nims.go.jp/datasets/7eab3219-9f34-427d-9534-7ed9e4d61a54)

## 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: "P-6c2"  number: 188  Hall_symbol: "P -6c 2"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.198140880000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.099070430000000,     5.367747460000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.910777549999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.370341520000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.129658480000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.629658480000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.870341520000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.332700720000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.167299280000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.667299280000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.832700720000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.418833300000000,  0.085053400000000,  0.346924470000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.666220100000000,  0.085053400000000,  0.653075530000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.666220100000000,  0.581166700000000,  0.346924470000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.914946600000000,  0.333779900000000,  0.346924470000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.666220100000000,  0.581166700000000,  0.153075530000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.914946600000000,  0.333779900000000,  0.153075530000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.418833300000000,  0.085053400000000,  0.153075530000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.914946600000000,  0.581166700000000,  0.846924470000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.043850640000000,  0.286507440000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.713492560000000,  0.757343200000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.242656800000000,  0.956149360000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.242656800000000,  0.286507440000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.713492560000000,  0.956149360000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.043850640000000,  0.757343200000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.096692330000000,  0.376970930000000,  0.944279320000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.623029070000000,  0.719721390000000,  0.555720680000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.280278610000000,  0.903307670000000,  0.555720680000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.280278610000000,  0.903307670000000,  0.944279320000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.623029070000000,  0.719721390000000,  0.944279320000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.280278610000000,  0.376970930000000,  0.055720680000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.623029070000000,  0.903307670000000,  0.055720680000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.096692330000000,  0.719721390000000,  0.055720680000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.623029070000000,  0.903307670000000,  0.444279320000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.096692330000000,  0.719721390000000,  0.444279320000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.096692330000000,  0.376970930000000,  0.555720680000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.280278610000000,  0.376970930000000,  0.444279320000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.666220100000000,  0.085053400000000,  0.846924470000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.914946600000000,  0.581166700000000,  0.653075530000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.418833300000000,  0.333779900000000,  0.653075530000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.418833300000000,  0.333779900000000,  0.846924470000000 ]    mass: 15.999400  - symbol: Dy # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Ta # 41    coordinates: [  0.303950600000000,  0.332656140000000,  0.344461060000000 ]    mass: 180.947880  - symbol: Ta # 42    coordinates: [  0.028705540000000,  0.332656140000000,  0.655538940000000 ]    mass: 180.947880  - symbol: Ta # 43    coordinates: [  0.028705540000000,  0.696049400000000,  0.344461060000000 ]    mass: 180.947880  - symbol: Ta # 44    coordinates: [  0.667343860000000,  0.971294460000000,  0.344461060000000 ]    mass: 180.947880  - symbol: Ta # 45    coordinates: [  0.028705540000000,  0.696049400000000,  0.155538940000000 ]    mass: 180.947880  - symbol: Ta # 46    coordinates: [  0.667343860000000,  0.971294460000000,  0.155538940000000 ]    mass: 180.947880  - symbol: Ta # 47    coordinates: [  0.303950600000000,  0.332656140000000,  0.155538940000000 ]    mass: 180.947880  - symbol: Ta # 48    coordinates: [  0.667343860000000,  0.696049400000000,  0.844461060000000 ]    mass: 180.947880  - symbol: Ta # 49    coordinates: [  0.303950600000000,  0.971294460000000,  0.844461060000000 ]    mass: 180.947880  - symbol: Ta # 50    coordinates: [  0.303950600000000,  0.971294460000000,  0.655538940000000 ]    mass: 180.947880  - symbol: Ta # 51    coordinates: [  0.667343860000000,  0.696049400000000,  0.655538940000000 ]    mass: 180.947880  - symbol: Ta # 52    coordinates: [  0.028705540000000,  0.332656140000000,  0.844461060000000 ]    mass: 180.947880  - symbol: Ta # 53    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 180.947880  - symbol: Ta # 54    coordinates: [  0.333333330000000,  0.666666670000000,  0.000000000000000 ]    mass: 180.947880  reciprocal_lattice: # without 2pi  - [     0.161338701291346,     0.093148942291449,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.186297885184040,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.050224055664767 ] # c*unit_cell:  lattice:  - [     6.198140880000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.099070430000000,     5.367747460000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.910777549999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.370341520000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.129658480000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.629658480000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.870341520000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.332700720000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.167299280000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.667299280000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.832700720000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.418833300000000,  0.085053400000000,  0.346924470000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.666220100000000,  0.085053400000000,  0.653075530000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.666220100000000,  0.581166700000000,  0.346924470000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.914946600000000,  0.333779900000000,  0.346924470000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.666220100000000,  0.581166700000000,  0.153075530000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.914946600000000,  0.333779900000000,  0.153075530000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.418833300000000,  0.085053400000000,  0.153075530000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.914946600000000,  0.581166700000000,  0.846924470000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.043850640000000,  0.286507440000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.713492560000000,  0.757343200000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.242656800000000,  0.956149360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.242656800000000,  0.286507440000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.713492560000000,  0.956149360000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.043850640000000,  0.757343200000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.096692330000000,  0.376970930000000,  0.944279320000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.623029070000000,  0.719721390000000,  0.555720680000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.280278610000000,  0.903307670000000,  0.555720680000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.280278610000000,  0.903307670000000,  0.944279320000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.623029070000000,  0.719721390000000,  0.944279320000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.280278610000000,  0.376970930000000,  0.055720680000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.623029070000000,  0.903307670000000,  0.055720680000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.096692330000000,  0.719721390000000,  0.055720680000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.623029070000000,  0.903307670000000,  0.444279320000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.096692330000000,  0.719721390000000,  0.444279320000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.096692330000000,  0.376970930000000,  0.555720680000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.280278610000000,  0.376970930000000,  0.444279320000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.666220100000000,  0.085053400000000,  0.846924470000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.914946600000000,  0.581166700000000,  0.653075530000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.418833300000000,  0.333779900000000,  0.653075530000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.418833300000000,  0.333779900000000,  0.846924470000000 ]    mass: 15.999400    reduced_to: 38  - symbol: Dy # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 39  - symbol: Dy # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 40  - symbol: Ta # 41    coordinates: [  0.303950600000000,  0.332656140000000,  0.344461060000000 ]    mass: 180.947880    reduced_to: 41  - symbol: Ta # 42    coordinates: [  0.028705540000000,  0.332656140000000,  0.655538940000000 ]    mass: 180.947880    reduced_to: 42  - symbol: Ta # 43    coordinates: [  0.028705540000000,  0.696049400000000,  0.344461060000000 ]    mass: 180.947880    reduced_to: 43  - symbol: Ta # 44    coordinates: [  0.667343860000000,  0.971294460000000,  0.344461060000000 ]    mass: 180.947880    reduced_to: 44  - symbol: Ta # 45    coordinates: [  0.028705540000000,  0.696049400000000,  0.155538940000000 ]    mass: 180.947880    reduced_to: 45  - symbol: Ta # 46    coordinates: [  0.667343860000000,  0.971294460000000,  0.155538940000000 ]    mass: 180.947880    reduced_to: 46  - symbol: Ta # 47    coordinates: [  0.303950600000000,  0.332656140000000,  0.155538940000000 ]    mass: 180.947880    reduced_to: 47  - symbol: Ta # 48    coordinates: [  0.667343860000000,  0.696049400000000,  0.844461060000000 ]    mass: 180.947880    reduced_to: 48  - symbol: Ta # 49    coordinates: [  0.303950600000000,  0.971294460000000,  0.844461060000000 ]    mass: 180.947880    reduced_to: 49  - symbol: Ta # 50    coordinates: [  0.303950600000000,  0.971294460000000,  0.655538940000000 ]    mass: 180.947880    reduced_to: 50  - symbol: Ta # 51    coordinates: [  0.667343860000000,  0.696049400000000,  0.655538940000000 ]    mass: 180.947880    reduced_to: 51  - symbol: Ta # 52    coordinates: [  0.028705540000000,  0.332656140000000,  0.844461060000000 ]    mass: 180.947880    reduced_to: 52  - symbol: Ta # 53    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 53  - symbol: Ta # 54    coordinates: [  0.333333330000000,  0.666666670000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 54supercell:  lattice:  - [     6.198140880000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.099070430000000,     5.367747460000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.910777549999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.370341520000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.129658480000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.629658480000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.870341520000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.332700720000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.167299280000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.667299280000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.832700720000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.418833300000000,  0.085053400000000,  0.346924470000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.666220100000000,  0.085053400000000,  0.653075530000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.666220100000000,  0.581166700000000,  0.346924470000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.914946600000000,  0.333779900000000,  0.346924470000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.666220100000000,  0.581166700000000,  0.153075530000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.914946600000000,  0.333779900000000,  0.153075530000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.418833300000000,  0.085053400000000,  0.153075530000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.914946600000000,  0.581166700000000,  0.846924470000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.043850640000000,  0.286507440000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.713492560000000,  0.757343200000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.242656800000000,  0.956149360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.242656800000000,  0.286507440000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.713492560000000,  0.956149360000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.043850640000000,  0.757343200000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.096692330000000,  0.376970930000000,  0.944279320000000 ]    mass: 15.999400    reduced_to: 23  - 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