# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/26778dfb-ac0a-449f-98e9-17824fce28e5/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 DyP5O14 / Pnma (62) / materials id 779893](https://mdr.nims.go.jp/datasets/a769bb45-c0c0-4f2d-b5a6-1841882df32c)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.729990320000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.729011440000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.965080730000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.980356500000000,  0.250000000000000,  0.942927400000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.519643500000000,  0.750000000000000,  0.442927400000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.480356500000000,  0.250000000000000,  0.557072600000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.019643500000000,  0.750000000000000,  0.057072600000000 ]    mass: 162.500000  - symbol: P  # 5    coordinates: [  0.990058790000000,  0.582632570000000,  0.702281450000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.990058790000000,  0.917367430000000,  0.702281450000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.926729110000000,  0.750000000000000,  0.490875910000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.741901850000000,  0.068879650000000,  0.726385540000000 ]    mass: 30.973762  - symbol: P  # 9    coordinates: [  0.741901850000000,  0.431120350000000,  0.726385540000000 ]    mass: 30.973762  - symbol: P  # 10    coordinates: [  0.758098150000000,  0.568879650000000,  0.226385540000000 ]    mass: 30.973762  - symbol: P  # 11    coordinates: [  0.758098150000000,  0.931120350000000,  0.226385540000000 ]    mass: 30.973762  - symbol: P  # 12    coordinates: [  0.573270890000000,  0.250000000000000,  0.990875910000000 ]    mass: 30.973762  - symbol: P  # 13    coordinates: [  0.509941210000000,  0.417367430000000,  0.202281450000000 ]    mass: 30.973762  - symbol: P  # 14    coordinates: [  0.509941210000000,  0.082632570000000,  0.202281450000000 ]    mass: 30.973762  - symbol: P  # 15    coordinates: [  0.490058790000000,  0.917367430000000,  0.797718550000000 ]    mass: 30.973762  - symbol: P  # 16    coordinates: [  0.490058790000000,  0.582632570000000,  0.797718550000000 ]    mass: 30.973762  - symbol: P  # 17    coordinates: [  0.426729110000000,  0.750000000000000,  0.009124090000000 ]    mass: 30.973762  - symbol: P  # 18    coordinates: [  0.241901850000000,  0.068879650000000,  0.773614460000000 ]    mass: 30.973762  - symbol: P  # 19    coordinates: [  0.241901850000000,  0.431120350000000,  0.773614460000000 ]    mass: 30.973762  - symbol: P  # 20    coordinates: [  0.258098150000000,  0.568879650000000,  0.273614460000000 ]    mass: 30.973762  - symbol: P  # 21    coordinates: [  0.258098150000000,  0.931120350000000,  0.273614460000000 ]    mass: 30.973762  - symbol: P  # 22    coordinates: [  0.073270890000000,  0.250000000000000,  0.509124090000000 ]    mass: 30.973762  - symbol: P  # 23    coordinates: [  0.009941210000000,  0.082632570000000,  0.297718550000000 ]    mass: 30.973762  - symbol: P  # 24    coordinates: [  0.009941210000000,  0.417367430000000,  0.297718550000000 ]    mass: 30.973762  - symbol: O  # 25    coordinates: [  0.006643220000000,  0.136967080000000,  0.152931640000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.006643220000000,  0.363032920000000,  0.152931640000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.959722670000000,  0.750000000000000,  0.328986680000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.975166580000000,  0.152992190000000,  0.437610500000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.975166580000000,  0.347007810000000,  0.437610500000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.888584750000000,  0.506936770000000,  0.320459060000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.888584750000000,  0.993063230000000,  0.320459060000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.843307360000000,  0.118547490000000,  0.839215420000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.843307360000000,  0.381452510000000,  0.839215420000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.833090660000000,  0.530354440000000,  0.655638780000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.833090660000000,  0.969645560000000,  0.655638780000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.828244290000000,  0.628188750000000,  0.101545790000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.828244290000000,  0.871811250000000,  0.101545790000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.769651860000000,  0.750000000000000,  0.556238150000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.730348140000000,  0.250000000000000,  0.056238150000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.671755710000000,  0.128188750000000,  0.601545790000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.671755710000000,  0.371811250000000,  0.601545790000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.666909340000000,  0.030354440000000,  0.155638780000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.666909340000000,  0.469645560000000,  0.155638780000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.656692640000000,  0.618547490000000,  0.339215420000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.656692640000000,  0.881452510000000,  0.339215420000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.611415250000000,  0.006936770000000,  0.820459060000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.611415250000000,  0.493063230000000,  0.820459060000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.524833420000000,  0.652992190000000,  0.937610500000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.524833420000000,  0.847007810000000,  0.937610500000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.540277330000000,  0.250000000000000,  0.828986680000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.493356780000000,  0.636967080000000,  0.652931640000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.493356780000000,  0.863032920000000,  0.652931640000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.506643220000000,  0.136967080000000,  0.347068360000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.506643220000000,  0.363032920000000,  0.347068360000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.459722670000000,  0.750000000000000,  0.171013320000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.475166580000000,  0.152992190000000,  0.062389500000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.475166580000000,  0.347007810000000,  0.062389500000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.388584750000000,  0.506936770000000,  0.179540940000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.388584750000000,  0.993063230000000,  0.179540940000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.343307360000000,  0.118547490000000,  0.660784580000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.343307360000000,  0.381452510000000,  0.660784580000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.333090660000000,  0.530354440000000,  0.844361220000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.333090660000000,  0.969645560000000,  0.844361220000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.328244290000000,  0.628188750000000,  0.398454210000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.328244290000000,  0.871811250000000,  0.398454210000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.269651860000000,  0.750000000000000,  0.943761850000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.230348140000000,  0.250000000000000,  0.443761850000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.171755710000000,  0.128188750000000,  0.898454210000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.171755710000000,  0.371811250000000,  0.898454210000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.166909340000000,  0.030354440000000,  0.344361220000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.166909340000000,  0.469645560000000,  0.344361220000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.156692640000000,  0.881452510000000,  0.160784580000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.156692640000000,  0.618547490000000,  0.160784580000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.111415250000000,  0.006936770000000,  0.679540940000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.111415250000000,  0.493063230000000,  0.679540940000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.024833420000000,  0.652992190000000,  0.562389500000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.024833420000000,  0.847007810000000,  0.562389500000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.040277330000000,  0.250000000000000,  0.671013320000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.993356780000000,  0.636967080000000,  0.847068360000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.993356780000000,  0.863032920000000,  0.847068360000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.114547664240709,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.078560696147823,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.111543892366042 ] # c*unit_cell:  lattice:  - [     8.729990320000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.729011440000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.965080730000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.980356500000000,  0.250000000000000,  0.942927400000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.519643500000000,  0.750000000000000,  0.442927400000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.480356500000000,  0.250000000000000,  0.557072600000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.019643500000000,  0.750000000000000,  0.057072600000000 ]    mass: 162.500000    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.990058790000000,  0.582632570000000,  0.702281450000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.990058790000000,  0.917367430000000,  0.702281450000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.926729110000000,  0.750000000000000,  0.490875910000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.741901850000000,  0.068879650000000,  0.726385540000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.741901850000000,  0.431120350000000,  0.726385540000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.758098150000000,  0.568879650000000,  0.226385540000000 ]    mass: 30.973762    reduced_to: 10  - symbol: P  # 11    coordinates: [  0.758098150000000,  0.931120350000000,  0.226385540000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 12    coordinates: [  0.573270890000000,  0.250000000000000,  0.990875910000000 ]    mass: 30.973762    reduced_to: 12  - symbol: P  # 13    coordinates: [  0.509941210000000,  0.417367430000000,  0.202281450000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.509941210000000,  0.082632570000000,  0.202281450000000 ]    mass: 30.973762    reduced_to: 14  - symbol: P  # 15    coordinates: [  0.490058790000000,  0.917367430000000,  0.797718550000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 16    coordinates: [  0.490058790000000,  0.582632570000000,  0.797718550000000 ]    mass: 30.973762    reduced_to: 16  - symbol: P  # 17    coordinates: [  0.426729110000000,  0.750000000000000,  0.009124090000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 18    coordinates: [  0.241901850000000,  0.068879650000000,  0.773614460000000 ]    mass: 30.973762    reduced_to: 18  - symbol: P  # 19    coordinates: [  0.241901850000000,  0.431120350000000,  0.773614460000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.258098150000000,  0.568879650000000,  0.273614460000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 21    coordinates: [  0.258098150000000,  0.931120350000000,  0.273614460000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.073270890000000,  0.250000000000000,  0.509124090000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 23    coordinates: [  0.009941210000000,  0.082632570000000,  0.297718550000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 24    coordinates: [  0.009941210000000,  0.417367430000000,  0.297718550000000 ]    mass: 30.973762    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.006643220000000,  0.136967080000000,  0.152931640000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.006643220000000,  0.363032920000000,  0.152931640000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.959722670000000,  0.750000000000000,  0.328986680000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.975166580000000,  0.152992190000000,  0.437610500000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.975166580000000,  0.347007810000000,  0.437610500000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.888584750000000,  0.506936770000000,  0.320459060000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.888584750000000,  0.993063230000000,  0.320459060000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.843307360000000,  0.118547490000000,  0.839215420000000 ]    mass: 15.999400    reduced_to: 32  - 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symbol: O  # 41    coordinates: [  0.671755710000000,  0.371811250000000,  0.601545790000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.666909340000000,  0.030354440000000,  0.155638780000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.666909340000000,  0.469645560000000,  0.155638780000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.656692640000000,  0.618547490000000,  0.339215420000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.656692640000000,  0.881452510000000,  0.339215420000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.611415250000000,  0.006936770000000,  0.820459060000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.611415250000000,  0.493063230000000,  0.820459060000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.524833420000000,  0.652992190000000,  0.937610500000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.524833420000000,  0.847007810000000,  0.937610500000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.540277330000000,  0.250000000000000,  0.828986680000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.493356780000000,  0.636967080000000,  0.652931640000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.493356780000000,  0.863032920000000,  0.652931640000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.506643220000000,  0.136967080000000,  0.347068360000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.506643220000000,  0.363032920000000,  0.347068360000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.459722670000000,  0.750000000000000,  0.171013320000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.475166580000000,  0.152992190000000,  0.062389500000000 ]    mass: 15.999400    reduced_to: 56  - 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