# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ea858609-f8e1-4cfb-b396-62df42ef03b9/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 Ho2SiSeO4 / Pbcm (57) / materials id 18584](https://mdr.nims.go.jp/datasets/03e16685-60d7-4115-8535-b986daff6bd6)

## 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: "Pbcm"  number: 57  Hall_symbol: "-P 2c 2b"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.947569570000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.858159980000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.654675230000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.277514420000000,  0.433448590000000,  0.033114130000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.277514420000000,  0.066551410000000,  0.966885870000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.722485580000000,  0.933448590000000,  0.466885870000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.722485580000000,  0.566551410000000,  0.533114130000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.722485580000000,  0.566551410000000,  0.966885870000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.722485580000000,  0.933448590000000,  0.033114130000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.277514420000000,  0.066551410000000,  0.533114130000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.277514420000000,  0.433448590000000,  0.466885870000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.057970730000000,  0.742027360000000,  0.122029380000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.057970730000000,  0.742027360000000,  0.377970620000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.942029270000000,  0.242027360000000,  0.377970620000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.942029270000000,  0.257972640000000,  0.622029380000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.942029270000000,  0.257972640000000,  0.877970620000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.942029270000000,  0.242027360000000,  0.122029380000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.057970730000000,  0.757972640000000,  0.622029380000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.057970730000000,  0.757972640000000,  0.877970620000000 ]    mass: 15.999400  - symbol: Si # 17    coordinates: [  0.111855940000000,  0.250000000000000,  0.500000000000000 ]    mass: 28.085500  - symbol: Si # 18    coordinates: [  0.888144060000000,  0.750000000000000,  0.500000000000000 ]    mass: 28.085500  - symbol: Si # 19    coordinates: [  0.888144060000000,  0.750000000000000,  0.000000000000000 ]    mass: 28.085500  - symbol: Si # 20    coordinates: [  0.111855940000000,  0.250000000000000,  0.000000000000000 ]    mass: 28.085500  - symbol: Se # 21    coordinates: [  0.580122850000000,  0.876354550000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Se # 22    coordinates: [  0.580122850000000,  0.623645450000000,  0.250000000000000 ]    mass: 78.960000  - symbol: Se # 23    coordinates: [  0.419877150000000,  0.376354550000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Se # 24    coordinates: [  0.419877150000000,  0.123645450000000,  0.250000000000000 ]    mass: 78.960000  - symbol: Ho # 25    coordinates: [  0.606944710000000,  0.250000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 26    coordinates: [  0.606944710000000,  0.250000000000000,  0.000000000000000 ]    mass: 164.930320  - symbol: Ho # 27    coordinates: [  0.393055290000000,  0.750000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 28    coordinates: [  0.393055290000000,  0.750000000000000,  0.000000000000000 ]    mass: 164.930320  - symbol: Ho # 29    coordinates: [  0.868014340000000,  0.527622760000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Ho # 30    coordinates: [  0.868014340000000,  0.972377240000000,  0.250000000000000 ]    mass: 164.930320  - symbol: Ho # 31    coordinates: [  0.131985660000000,  0.027622760000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Ho # 32    coordinates: [  0.131985660000000,  0.472377240000000,  0.250000000000000 ]    mass: 164.930320  reciprocal_lattice: # without 2pi  - [     0.168135906311055,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.145811705022372,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.093855512102737 ] # c*unit_cell:  lattice:  - [     5.947569570000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.858159980000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.654675230000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.277514420000000,  0.433448590000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.277514420000000,  0.066551410000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.722485580000000,  0.933448590000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.722485580000000,  0.566551410000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.722485580000000,  0.566551410000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.722485580000000,  0.933448590000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.277514420000000,  0.066551410000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.277514420000000,  0.433448590000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.057970730000000,  0.742027360000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.057970730000000,  0.742027360000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.942029270000000,  0.242027360000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.942029270000000,  0.257972640000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.942029270000000,  0.257972640000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.942029270000000,  0.242027360000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.057970730000000,  0.757972640000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.057970730000000,  0.757972640000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 16  - symbol: Si # 17    coordinates: [  0.111855940000000,  0.250000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 18    coordinates: [  0.888144060000000,  0.750000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 18  - symbol: Si # 19    coordinates: [  0.888144060000000,  0.750000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 20    coordinates: [  0.111855940000000,  0.250000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 20  - symbol: Se # 21    coordinates: [  0.580122850000000,  0.876354550000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 21  - symbol: Se # 22    coordinates: [  0.580122850000000,  0.623645450000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 22  - symbol: Se # 23    coordinates: [  0.419877150000000,  0.376354550000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 23  - symbol: Se # 24    coordinates: [  0.419877150000000,  0.123645450000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 24  - symbol: Ho # 25    coordinates: [  0.606944710000000,  0.250000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 26    coordinates: [  0.606944710000000,  0.250000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 26  - symbol: Ho # 27    coordinates: [  0.393055290000000,  0.750000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 27  - symbol: Ho # 28    coordinates: [  0.393055290000000,  0.750000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 28  - symbol: Ho # 29    coordinates: [  0.868014340000000,  0.527622760000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 29  - symbol: Ho # 30    coordinates: [  0.868014340000000,  0.972377240000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 30  - symbol: Ho # 31    coordinates: [  0.131985660000000,  0.027622760000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 31  - symbol: Ho # 32    coordinates: [  0.131985660000000,  0.472377240000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 32supercell:  lattice:  - [    11.895139140000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.716319960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.654675230000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.138757210000000,  0.216724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.638757210000000,  0.216724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.138757210000000,  0.716724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.638757210000000,  0.716724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.138757210000000,  0.033275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.638757210000000,  0.033275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.138757210000000,  0.533275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.638757210000000,  0.533275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.361242790000000,  0.466724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.861242790000000,  0.466724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.361242790000000,  0.966724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.861242790000000,  0.966724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.361242790000000,  0.283275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.861242790000000,  0.283275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.361242790000000,  0.783275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.861242790000000,  0.783275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.361242790000000,  0.283275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.861242790000000,  0.283275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.361242790000000,  0.783275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.861242790000000,  0.783275705000000,  0.966885870000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.361242790000000,  0.466724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.861242790000000,  0.466724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.361242790000000,  0.966724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.861242790000000,  0.966724295000000,  0.033114130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.138757210000000,  0.033275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.638757210000000,  0.033275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.138757210000000,  0.533275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.638757210000000,  0.533275705000000,  0.533114130000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.138757210000000,  0.216724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.638757210000000,  0.216724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.138757210000000,  0.716724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.638757210000000,  0.716724295000000,  0.466885870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.028985365000000,  0.371013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.528985365000000,  0.371013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.028985365000000,  0.871013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.528985365000000,  0.871013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.028985365000000,  0.371013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.528985365000000,  0.371013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.028985365000000,  0.871013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.528985365000000,  0.871013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.471014635000000,  0.121013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.971014635000000,  0.121013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.471014635000000,  0.621013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.971014635000000,  0.621013680000000,  0.377970620000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.471014635000000,  0.128986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.971014635000000,  0.128986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.471014635000000,  0.628986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.971014635000000,  0.628986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.471014635000000,  0.128986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.971014635000000,  0.128986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.471014635000000,  0.628986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.971014635000000,  0.628986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.471014635000000,  0.121013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.971014635000000,  0.121013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.471014635000000,  0.621013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.971014635000000,  0.621013680000000,  0.122029380000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.028985365000000,  0.378986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.528985365000000,  0.378986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.028985365000000,  0.878986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.528985365000000,  0.878986320000000,  0.622029380000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.028985365000000,  0.378986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.528985365000000,  0.378986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.028985365000000,  0.878986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.528985365000000,  0.878986320000000,  0.877970620000000 ]    mass: 15.999400    reduced_to: 61  - symbol: Si # 65    coordinates: [  0.055927970000000,  0.125000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 65  - symbol: Si # 66    coordinates: [  0.555927970000000,  0.125000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 65  - symbol: Si # 67    coordinates: [  0.055927970000000,  0.625000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 65  - symbol: Si # 68    coordinates: [  0.555927970000000,  0.625000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 65  - symbol: Si # 69    coordinates: [  0.444072030000000,  0.375000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 69  - symbol: Si # 70    coordinates: [  0.944072030000000,  0.375000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 69  - symbol: Si # 71    coordinates: [  0.444072030000000,  0.875000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 69  - symbol: Si # 72    coordinates: [  0.944072030000000,  0.875000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 69  - symbol: Si # 73    coordinates: [  0.444072030000000,  0.375000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 73  - symbol: Si # 74    coordinates: [  0.944072030000000,  0.375000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 73  - symbol: Si # 75    coordinates: [  0.444072030000000,  0.875000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 73  - symbol: Si # 76    coordinates: [  0.944072030000000,  0.875000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 73  - symbol: Si # 77    coordinates: [  0.055927970000000,  0.125000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 77  - symbol: Si # 78    coordinates: [  0.555927970000000,  0.125000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 77  - symbol: Si # 79    coordinates: [  0.055927970000000,  0.625000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 77  - symbol: Si # 80    coordinates: [  0.555927970000000,  0.625000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 77  - symbol: Se # 81    coordinates: [  0.290061425000000,  0.438177275000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 81  - 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