# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7b72c069-fa20-4473-a4da-7bc3aa9d43df/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 BaMgTe2O7 / Ama2 (40) / materials id 865532](https://mdr.nims.go.jp/datasets/1b4f170b-875e-43dc-8435-94bcf44a25f7)

## 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: "Ama2"  number: 40  Hall_symbol: "A 2 -2a"primitive_matrix:- [  1.000000000000000,  0.000000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.500000000000000, -0.500000000000000 ]- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.587056480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.626451535000000,     3.656754200000000 ] # b  - [     0.000000000000000,    -7.626451535000000,     3.656754200000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.750000000000000,  0.920147170000000,  0.337427950000000 ]    mass: 137.327000  - symbol: Ba # 2    coordinates: [  0.250000000000000,  0.337427950000000,  0.920147170000000 ]    mass: 137.327000  - symbol: Mg # 3    coordinates: [  0.750000000000000,  0.523985790000000,  0.759777350000000 ]    mass: 24.305000  - symbol: Mg # 4    coordinates: [  0.250000000000000,  0.759777350000000,  0.523985790000000 ]    mass: 24.305000  - symbol: Te # 5    coordinates: [  0.250000000000000,  0.301847130000000,  0.446583530000000 ]    mass: 127.600000  - symbol: Te # 6    coordinates: [  0.250000000000000,  0.811597350000000,  0.968978050000000 ]    mass: 127.600000  - symbol: Te # 7    coordinates: [  0.750000000000000,  0.968978050000000,  0.811597350000000 ]    mass: 127.600000  - symbol: Te # 8    coordinates: [  0.750000000000000,  0.446583530000000,  0.301847130000000 ]    mass: 127.600000  - symbol: O  # 9    coordinates: [  0.500000000000000,  0.005691340000000,  0.005691340000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.005691340000000,  0.005691340000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.250000000000000,  0.646149890000000,  0.675689310000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.250000000000000,  0.994360670000000,  0.268449150000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.992726920000000,  0.295047730000000,  0.583144470000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.507273080000000,  0.295047730000000,  0.583144470000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.495089520000000,  0.661981660000000,  0.976015120000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.004910480000000,  0.661981660000000,  0.976015120000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.995089520000000,  0.976015120000000,  0.661981660000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.504910480000000,  0.976015120000000,  0.661981660000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.492726920000000,  0.583144470000000,  0.295047730000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.007273080000000,  0.583144470000000,  0.295047730000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.750000000000000,  0.268449150000000,  0.994360670000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.750000000000000,  0.675689310000000,  0.646149890000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.178985124560617,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.065561289900730,     0.136733281115805 ] # b*  - [     0.000000000000000,    -0.065561289900730,     0.136733281115805 ] # c*unit_cell:  lattice:  - [     5.587056480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.252903070000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.313508400000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.750000000000000,  0.791359610000000,  0.128787560000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.250000000000000,  0.708640390000000,  0.628787560000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.750000000000000,  0.291359610000000,  0.628787560000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 4    coordinates: [  0.250000000000000,  0.208640390000000,  0.128787560000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Mg # 5    coordinates: [  0.750000000000000,  0.882104220000000,  0.641881570000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.250000000000000,  0.617895780000000,  0.141881570000000 ]    mass: 24.305000    reduced_to: 6  - symbol: Mg # 7    coordinates: [  0.750000000000000,  0.382104220000000,  0.141881570000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 8    coordinates: [  0.250000000000000,  0.117895780000000,  0.641881570000000 ]    mass: 24.305000    reduced_to: 6  - symbol: Te # 9    coordinates: [  0.250000000000000,  0.927631800000000,  0.374215330000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.250000000000000,  0.921309650000000,  0.890287700000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.750000000000000,  0.578690350000000,  0.390287700000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 12    coordinates: [  0.750000000000000,  0.572368200000000,  0.874215330000000 ]    mass: 127.600000    reduced_to: 12  - symbol: Te # 13    coordinates: [  0.250000000000000,  0.427631800000000,  0.874215330000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 14    coordinates: [  0.250000000000000,  0.421309650000000,  0.390287700000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 15    coordinates: [  0.750000000000000,  0.078690350000000,  0.890287700000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 16    coordinates: [  0.750000000000000,  0.072368200000000,  0.374215330000000 ]    mass: 127.600000    reduced_to: 12  - symbol: O  # 17    coordinates: [  0.500000000000000,  0.000000000000000,  0.005691340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.005691340000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.250000000000000,  0.985230290000000,  0.660919600000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.250000000000000,  0.862955760000000,  0.131404910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.992726920000000,  0.855951630000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.507273080000000,  0.855951630000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.495089520000000,  0.842983270000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.004910480000000,  0.842983270000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.995089520000000,  0.657016730000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.504910480000000,  0.657016730000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.492726920000000,  0.644048370000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.007273080000000,  0.644048370000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.750000000000000,  0.637044240000000,  0.631404910000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.750000000000000,  0.514769710000000,  0.160919600000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.500000000000000,  0.500000000000000,  0.505691340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 32    coordinates: [  0.000000000000000,  0.500000000000000,  0.505691340000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.250000000000000,  0.485230290000000,  0.160919600000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.250000000000000,  0.362955760000000,  0.631404910000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 35    coordinates: [  0.992726920000000,  0.355951630000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 36    coordinates: [  0.507273080000000,  0.355951630000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 37    coordinates: [  0.495089520000000,  0.342983270000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 38    coordinates: [  0.004910480000000,  0.342983270000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 39    coordinates: [  0.995089520000000,  0.157016730000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 40    coordinates: [  0.504910480000000,  0.157016730000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 41    coordinates: [  0.492726920000000,  0.144048370000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 42    coordinates: [  0.007273080000000,  0.144048370000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 43    coordinates: [  0.750000000000000,  0.137044240000000,  0.131404910000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 44    coordinates: [  0.750000000000000,  0.014769710000000,  0.660919600000000 ]    mass: 15.999400    reduced_to: 30supercell:  lattice:  - [    11.174112960000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.252903070000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.313508400000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.375000000000000,  0.791359610000000,  0.128787560000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.875000000000000,  0.791359610000000,  0.128787560000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 3    coordinates: [  0.125000000000000,  0.708640390000000,  0.628787560000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.625000000000000,  0.708640390000000,  0.628787560000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 5    coordinates: [  0.375000000000000,  0.291359610000000,  0.628787560000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 6    coordinates: [  0.875000000000000,  0.291359610000000,  0.628787560000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 7    coordinates: [  0.125000000000000,  0.208640390000000,  0.128787560000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 8    coordinates: [  0.625000000000000,  0.208640390000000,  0.128787560000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Mg # 9    coordinates: [  0.375000000000000,  0.882104220000000,  0.641881570000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 10    coordinates: [  0.875000000000000,  0.882104220000000,  0.641881570000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 11    coordinates: [  0.125000000000000,  0.617895780000000,  0.141881570000000 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 12    coordinates: [  0.625000000000000,  0.617895780000000,  0.141881570000000 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 13    coordinates: [  0.375000000000000,  0.382104220000000,  0.141881570000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 14    coordinates: [  0.875000000000000,  0.382104220000000,  0.141881570000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 15    coordinates: [  0.125000000000000,  0.117895780000000,  0.641881570000000 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 16    coordinates: [  0.625000000000000,  0.117895780000000,  0.641881570000000 ]    mass: 24.305000    reduced_to: 11  - symbol: Te # 17    coordinates: [  0.125000000000000,  0.927631800000000,  0.374215330000000 ]    mass: 127.600000    reduced_to: 17  - symbol: Te # 18    coordinates: [  0.625000000000000,  0.927631800000000,  0.374215330000000 ]    mass: 127.600000    reduced_to: 17  - symbol: Te # 19    coordinates: [  0.125000000000000,  0.921309650000000,  0.890287700000000 ]    mass: 127.600000    reduced_to: 19  - symbol: Te # 20    coordinates: [  0.625000000000000,  0.921309650000000,  0.890287700000000 ]    mass: 127.600000    reduced_to: 19  - symbol: Te # 21    coordinates: [  0.375000000000000,  0.578690350000000,  0.390287700000000 ]    mass: 127.600000    reduced_to: 21  - symbol: Te # 22    coordinates: [  0.875000000000000,  0.578690350000000,  0.390287700000000 ]    mass: 127.600000    reduced_to: 21  - symbol: Te # 23    coordinates: [  0.375000000000000,  0.572368200000000,  0.874215330000000 ]    mass: 127.600000    reduced_to: 23  - symbol: Te # 24    coordinates: [  0.875000000000000,  0.572368200000000,  0.874215330000000 ]    mass: 127.600000    reduced_to: 23  - symbol: Te # 25    coordinates: [  0.125000000000000,  0.427631800000000,  0.874215330000000 ]    mass: 127.600000    reduced_to: 17  - symbol: Te # 26    coordinates: [  0.625000000000000,  0.427631800000000,  0.874215330000000 ]    mass: 127.600000    reduced_to: 17  - symbol: Te # 27    coordinates: [  0.125000000000000,  0.421309650000000,  0.390287700000000 ]    mass: 127.600000    reduced_to: 19  - symbol: Te # 28    coordinates: [  0.625000000000000,  0.421309650000000,  0.390287700000000 ]    mass: 127.600000    reduced_to: 19  - symbol: Te # 29    coordinates: [  0.375000000000000,  0.078690350000000,  0.890287700000000 ]    mass: 127.600000    reduced_to: 21  - symbol: Te # 30    coordinates: [  0.875000000000000,  0.078690350000000,  0.890287700000000 ]    mass: 127.600000    reduced_to: 21  - symbol: Te # 31    coordinates: [  0.375000000000000,  0.072368200000000,  0.374215330000000 ]    mass: 127.600000    reduced_to: 23  - symbol: Te # 32    coordinates: [  0.875000000000000,  0.072368200000000,  0.374215330000000 ]    mass: 127.600000    reduced_to: 23  - symbol: O  # 33    coordinates: [  0.250000000000000,  0.000000000000000,  0.005691340000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.750000000000000,  0.000000000000000,  0.005691340000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.000000000000000,  0.005691340000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.000000000000000,  0.005691340000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.125000000000000,  0.985230290000000,  0.660919600000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.625000000000000,  0.985230290000000,  0.660919600000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.125000000000000,  0.862955760000000,  0.131404910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.625000000000000,  0.862955760000000,  0.131404910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.496363460000000,  0.855951630000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.996363460000000,  0.855951630000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.253636540000000,  0.855951630000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.753636540000000,  0.855951630000000,  0.439096100000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.247544760000000,  0.842983270000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.747544760000000,  0.842983270000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.002455240000000,  0.842983270000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.502455240000000,  0.842983270000000,  0.818998390000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.497544760000000,  0.657016730000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.997544760000000,  0.657016730000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.252455240000000,  0.657016730000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.752455240000000,  0.657016730000000,  0.318998390000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.246363460000000,  0.644048370000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.746363460000000,  0.644048370000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.003636540000000,  0.644048370000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.503636540000000,  0.644048370000000,  0.939096100000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.375000000000000,  0.637044240000000,  0.631404910000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.875000000000000,  0.637044240000000,  0.631404910000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.375000000000000,  0.514769710000000,  0.160919600000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.875000000000000,  0.514769710000000,  0.160919600000000 ]    mass: 15.999400    reduced_to: 59  - 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