# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c5263e68-998c-41d0-ad5c-e55d77ea15c7/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 Y7DyO12 / I2_12_12_1 (24) / materials id 766292](https://mdr.nims.go.jp/datasets/2c838664-6169-403f-b119-48dd3f592c83)

## 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: "I2_12_12_1"  number: 24  Hall_symbol: "I 2b 2c"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -5.270136505000000,     5.270135565000000,     5.271742160000000 ] # a  - [     5.270136505000000,    -5.270135565000000,     5.271742160000000 ] # b  - [     5.270136505000000,     5.270135565000000,    -5.271742160000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.282813990000000,  0.032813990000000,  0.250000000000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.217186010000000,  0.467186010000000,  0.750000000000000 ]    mass: 162.500000  - symbol: Y  # 3    coordinates: [  0.782682000000000,  0.532682000000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.999870080000000,  0.499952890000000,  0.999949910000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.250000000000000,  0.782704600000000,  0.532704600000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.750000000000000,  0.717295400000000,  0.967295400000000 ]    mass: 88.905850  - symbol: Y  # 7    coordinates: [  0.967371390000000,  0.250000000000000,  0.217371390000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.467290800000000,  0.250000000000000,  0.717290800000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.500129920000000,  0.500079830000000,  0.500082810000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.499997020000000,  0.000047110000000,  0.999917190000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.000002980000000,  0.999920170000000,  0.500050090000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.717318000000000,  0.967318000000000,  0.750000000000000 ]    mass: 88.905850  - symbol: Y  # 13    coordinates: [  0.532628610000000,  0.750000000000000,  0.282628610000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.032709200000000,  0.750000000000000,  0.782709200000000 ]    mass: 88.905850  - symbol: Y  # 15    coordinates: [  0.750000000000000,  0.217354210000000,  0.467354210000000 ]    mass: 88.905850  - symbol: Y  # 16    coordinates: [  0.250000000000000,  0.282645790000000,  0.032645790000000 ]    mass: 88.905850  - symbol: O  # 17    coordinates: [  0.511007800000000,  0.042250240000000,  0.771713720000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.729463480000000,  0.457749760000000,  0.968757560000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.957728280000000,  0.468817630000000,  0.729447990000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.760687630000000,  0.771701690000000,  0.229500740000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.542271720000000,  0.271719710000000,  0.511089350000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.739312370000000,  0.968813110000000,  0.011014060000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.770536520000000,  0.739294080000000,  0.728286280000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.988992200000000,  0.760705920000000,  0.531242440000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.228133710000000,  0.988939310000000,  0.457798440000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.968768610000000,  0.229475610000000,  0.957834020000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.728358410000000,  0.270524390000000,  0.239293000000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.468859130000000,  0.511060690000000,  0.739194400000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.531231390000000,  0.489065410000000,  0.260707000000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.771641590000000,  0.010934590000000,  0.542165980000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.271866290000000,  0.729664730000000,  0.760805600000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.031140870000000,  0.770335270000000,  0.042201560000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.011027790000000,  0.239339330000000,  0.469006080000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.229666750000000,  0.260660670000000,  0.271688460000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.457799050000000,  0.728298310000000,  0.488985940000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.260630360000000,  0.031182370000000,  0.988910650000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.042200950000000,  0.531186890000000,  0.270499260000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.239369640000000,  0.228280290000000,  0.770552010000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.488972210000000,  0.957978290000000,  0.228311540000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.270333250000000,  0.542021710000000,  0.030993920000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.094874219805767,     0.094845306319003 ] # a*  - [     0.094874202883669,     0.000000000000000,     0.094845306319003 ] # b*  - [     0.094874202883669,     0.094874219805767,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.540273010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.540271130000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.543484319999999 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.500000000000000,  0.750000000000000,  0.532813990000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.500000000000000,  0.250000000000000,  0.967186010000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.000000000000000,  0.250000000000000,  0.032813990000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.750000000000000,  0.467186010000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Y  # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.532682000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.250016360000000,  0.749933550000000,  0.249936530000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.032704600000000,  0.500000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.967295400000000,  0.000000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 9    coordinates: [  0.250000000000000,  0.967371390000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.250000000000000,  0.467290800000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.250016360000000,  0.250066450000000,  0.250063470000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.249983640000000,  0.749933550000000,  0.750063470000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 13    coordinates: [  0.249983640000000,  0.250066450000000,  0.749936530000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.000000000000000,  0.750000000000000,  0.967318000000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.250000000000000,  0.032628610000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 16    coordinates: [  0.250000000000000,  0.532709200000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 17    coordinates: [  0.467354210000000,  0.000000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 18    coordinates: [  0.532645790000000,  0.500000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 18  - symbol: Y  # 19    coordinates: [  0.500000000000000,  0.750000000000000,  0.032682000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 20    coordinates: [  0.750016360000000,  0.249933550000000,  0.749936530000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 21    coordinates: [  0.532704600000000,  0.000000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 22    coordinates: [  0.467295400000000,  0.500000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 23    coordinates: [  0.750000000000000,  0.467371390000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 24    coordinates: [  0.750000000000000,  0.967290800000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 25    coordinates: [  0.750016360000000,  0.750066450000000,  0.750063470000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 26    coordinates: [  0.749983640000000,  0.249933550000000,  0.250063470000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 27    coordinates: [  0.749983640000000,  0.750066450000000,  0.249936530000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 28    coordinates: [  0.500000000000000,  0.250000000000000,  0.467318000000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 29    coordinates: [  0.750000000000000,  0.532628610000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 30    coordinates: [  0.750000000000000,  0.032709200000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 31    coordinates: [  0.967354210000000,  0.500000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 32    coordinates: [  0.032645790000000,  0.000000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.151478080000000,  0.620235640000000,  0.890772160000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.348521920000000,  0.620235640000000,  0.109227840000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.120268670000000,  0.609179320000000,  0.348548960000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.120257400000000,  0.109243340000000,  0.651444290000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.120268670000000,  0.390820680000000,  0.151451040000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.120257400000000,  0.890756660000000,  0.848555710000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.848521920000000,  0.879764360000000,  0.890772160000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.651478080000000,  0.879764360000000,  0.109227840000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.609302020000000,  0.848496420000000,  0.379637290000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.109270510000000,  0.848563510000000,  0.120205100000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.390729490000000,  0.848563510000000,  0.879794900000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.890697980000000,  0.848496420000000,  0.620362710000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.609270510000000,  0.651436490000000,  0.879794900000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.890729490000000,  0.651436490000000,  0.120205100000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.109302020000000,  0.651503580000000,  0.620362710000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.390697980000000,  0.651503580000000,  0.379637290000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.848658810000000,  0.620347270000000,  0.390680520000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.651341190000000,  0.620347270000000,  0.609319480000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.379742600000000,  0.109243340000000,  0.348555710000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.379731330000000,  0.609179320000000,  0.651451040000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.379742600000000,  0.890756660000000,  0.151444290000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.379731330000000,  0.390820680000000,  0.848548960000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.348658810000000,  0.879652730000000,  0.609319480000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.151341190000000,  0.879652730000000,  0.390680520000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.651478080000000,  0.120235640000000,  0.390772160000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.848521920000000,  0.120235640000000,  0.609227840000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.620268670000000,  0.109179320000000,  0.848548960000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.620257400000000,  0.609243340000000,  0.151444290000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.620268670000000,  0.890820680000000,  0.651451040000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.620257400000000,  0.390756660000000,  0.348555710000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.348521920000000,  0.379764360000000,  0.390772160000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.151478080000000,  0.379764360000000,  0.609227840000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.109302020000000,  0.348496420000000,  0.879637290000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.609270510000000,  0.348563510000000,  0.620205100000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.890729490000000,  0.348563510000000,  0.379794900000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.390697980000000,  0.348496420000000,  0.120362710000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.109270510000000,  0.151436490000000,  0.379794900000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.390729490000000,  0.151436490000000,  0.620205100000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.609302020000000,  0.151503580000000,  0.120362710000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.890697980000000,  0.151503580000000,  0.879637290000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.348658810000000,  0.120347270000000,  0.890680520000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.151341190000000,  0.120347270000000,  0.109319480000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.879742600000000,  0.609243340000000,  0.848555710000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.879731330000000,  0.109179320000000,  0.151451040000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.879742600000000,  0.390756660000000,  0.651444290000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.879731330000000,  0.890820680000000,  0.348548960000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.848658810000000,  0.379652730000000,  0.109319480000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.651341190000000,  0.379652730000000,  0.890680520000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    10.540273010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.540271130000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.543484319999999 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.500000000000000,  0.750000000000000,  0.532813990000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.500000000000000,  0.250000000000000,  0.967186010000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.000000000000000,  0.250000000000000,  0.032813990000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.750000000000000,  0.467186010000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Y  # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.532682000000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.250016360000000,  0.749933550000000,  0.249936530000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.032704600000000,  0.500000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.967295400000000,  0.000000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 8  - 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