# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/14aaffdd-04be-4081-93be-74ec2c1432e1/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 Mg14Ge5O24 / Pbam (55) / materials id 27295](https://mdr.nims.go.jp/datasets/00ef1476-e317-4b5e-b1f4-7cf9a3c44983)

## 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: "Pbam"  number: 55  Hall_symbol: "-P 2 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.243794590000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.551492950000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.959082300000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.663077480000000,  0.916316910000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.336922520000000,  0.083683090000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.163077480000000,  0.583683090000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.836922520000000,  0.416316910000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.651810790000000,  0.578668430000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.348189210000000,  0.421331570000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.151810790000000,  0.921331570000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.848189210000000,  0.078668430000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.996429290000000,  0.748276260000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.003570710000000,  0.251723740000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.496429290000000,  0.751723740000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.503570710000000,  0.248276260000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.670436340000000,  0.932726640000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.329563660000000,  0.067273360000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.170436340000000,  0.567273360000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.829563660000000,  0.432726640000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.668783170000000,  0.586135580000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.331216830000000,  0.413864420000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.168783170000000,  0.913864420000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.831216830000000,  0.086135580000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.021093260000000,  0.744049560000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.978906740000000,  0.255950440000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.521093260000000,  0.755950440000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.478906740000000,  0.244049560000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.922016930000000,  0.924105440000000,  0.775422920000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.077983070000000,  0.075894560000000,  0.775422920000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.422016930000000,  0.575894560000000,  0.224577080000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.577983070000000,  0.424105440000000,  0.224577080000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.077983070000000,  0.075894560000000,  0.224577080000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.922016930000000,  0.924105440000000,  0.224577080000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.577983070000000,  0.424105440000000,  0.775422920000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.422016930000000,  0.575894560000000,  0.775422920000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.918803560000000,  0.585703520000000,  0.751479280000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.081196440000000,  0.414296480000000,  0.751479280000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.418803560000000,  0.914296480000000,  0.248520720000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.581196440000000,  0.085703520000000,  0.248520720000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.081196440000000,  0.414296480000000,  0.248520720000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.918803560000000,  0.585703520000000,  0.248520720000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.581196440000000,  0.085703520000000,  0.751479280000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.418803560000000,  0.914296480000000,  0.751479280000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.748459000000000,  0.756541970000000,  0.728256170000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.251541000000000,  0.243458030000000,  0.728256170000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.248459000000000,  0.743458030000000,  0.271743830000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.751541000000000,  0.256541970000000,  0.271743830000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.251541000000000,  0.243458030000000,  0.271743830000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.748459000000000,  0.756541970000000,  0.271743830000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.751541000000000,  0.256541970000000,  0.728256170000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.248459000000000,  0.743458030000000,  0.728256170000000 ]    mass: 15.999400  - symbol: Mg # 49    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 50    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 51    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 53    coordinates: [  0.821562780000000,  0.824274360000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 54    coordinates: [  0.178437220000000,  0.175725640000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 55    coordinates: [  0.321562780000000,  0.675725640000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 56    coordinates: [  0.678437220000000,  0.324274360000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 57    coordinates: [  0.852480050000000,  0.673905770000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 58    coordinates: [  0.147519950000000,  0.326094230000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 59    coordinates: [  0.352480050000000,  0.826094230000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 60    coordinates: [  0.647519950000000,  0.173905770000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 61    coordinates: [  0.748618510000000,  0.004564090000000,  0.758068280000000 ]    mass: 24.305000  - symbol: Mg # 62    coordinates: [  0.251381490000000,  0.995435910000000,  0.758068280000000 ]    mass: 24.305000  - symbol: Mg # 63    coordinates: [  0.248618510000000,  0.495435910000000,  0.241931720000000 ]    mass: 24.305000  - symbol: Mg # 64    coordinates: [  0.751381490000000,  0.504564090000000,  0.241931720000000 ]    mass: 24.305000  - symbol: Mg # 65    coordinates: [  0.251381490000000,  0.995435910000000,  0.241931720000000 ]    mass: 24.305000  - symbol: Mg # 66    coordinates: [  0.748618510000000,  0.004564090000000,  0.241931720000000 ]    mass: 24.305000  - symbol: Mg # 67    coordinates: [  0.751381490000000,  0.504564090000000,  0.758068280000000 ]    mass: 24.305000  - symbol: Mg # 68    coordinates: [  0.248618510000000,  0.495435910000000,  0.758068280000000 ]    mass: 24.305000  - symbol: Mg # 69    coordinates: [  0.580871300000000,  0.668554710000000,  0.753941490000000 ]    mass: 24.305000  - symbol: Mg # 70    coordinates: [  0.419128700000000,  0.331445290000000,  0.753941490000000 ]    mass: 24.305000  - symbol: Mg # 71    coordinates: [  0.080871300000000,  0.831445290000000,  0.246058510000000 ]    mass: 24.305000  - symbol: Mg # 72    coordinates: [  0.919128700000000,  0.168554710000000,  0.246058510000000 ]    mass: 24.305000  - symbol: Mg # 73    coordinates: [  0.419128700000000,  0.331445290000000,  0.246058510000000 ]    mass: 24.305000  - symbol: Mg # 74    coordinates: [  0.580871300000000,  0.668554710000000,  0.246058510000000 ]    mass: 24.305000  - symbol: Mg # 75    coordinates: [  0.919128700000000,  0.168554710000000,  0.753941490000000 ]    mass: 24.305000  - symbol: Mg # 76    coordinates: [  0.080871300000000,  0.831445290000000,  0.753941490000000 ]    mass: 24.305000  - symbol: Ge # 77    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 78    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 79    coordinates: [  0.498705100000000,  0.874416040000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 80    coordinates: [  0.501294900000000,  0.125583960000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 81    coordinates: [  0.998705100000000,  0.625583960000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 82    coordinates: [  0.001294900000000,  0.374416040000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 83    coordinates: [  0.674090500000000,  0.813906740000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 84    coordinates: [  0.325909500000000,  0.186093260000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 85    coordinates: [  0.174090500000000,  0.686093260000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 86    coordinates: [  0.825909500000000,  0.313906740000000,  0.500000000000000 ]    mass: 72.640000  reciprocal_lattice: # without 2pi  - [     0.097620075374823,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.068721470947076,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.167811073862833 ] # c*unit_cell:  lattice:  - [    10.243794590000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.551492950000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.959082300000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.663077480000000,  0.916316910000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.336922520000000,  0.083683090000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.163077480000000,  0.583683090000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.836922520000000,  0.416316910000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.651810790000000,  0.578668430000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.348189210000000,  0.421331570000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.151810790000000,  0.921331570000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.848189210000000,  0.078668430000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.996429290000000,  0.748276260000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.003570710000000,  0.251723740000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.496429290000000,  0.751723740000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.503570710000000,  0.248276260000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.670436340000000,  0.932726640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.329563660000000,  0.067273360000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.170436340000000,  0.567273360000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.829563660000000,  0.432726640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.668783170000000,  0.586135580000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.331216830000000,  0.413864420000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.168783170000000,  0.913864420000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.831216830000000,  0.086135580000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.021093260000000,  0.744049560000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.978906740000000,  0.255950440000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.521093260000000,  0.755950440000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.478906740000000,  0.244049560000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.922016930000000,  0.924105440000000,  0.775422920000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.077983070000000,  0.075894560000000,  0.775422920000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.422016930000000,  0.575894560000000,  0.224577080000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.577983070000000,  0.424105440000000,  0.224577080000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.077983070000000,  0.075894560000000,  0.224577080000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.922016930000000,  0.924105440000000,  0.224577080000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.577983070000000,  0.424105440000000,  0.775422920000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.422016930000000,  0.575894560000000,  0.775422920000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.918803560000000,  0.585703520000000,  0.751479280000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.081196440000000,  0.414296480000000,  0.751479280000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.418803560000000,  0.914296480000000,  0.248520720000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.581196440000000,  0.085703520000000,  0.248520720000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.081196440000000,  0.414296480000000,  0.248520720000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.918803560000000,  0.585703520000000,  0.248520720000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.581196440000000,  0.085703520000000,  0.751479280000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.418803560000000,  0.914296480000000,  0.751479280000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.748459000000000,  0.756541970000000,  0.728256170000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.251541000000000,  0.243458030000000,  0.728256170000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.248459000000000,  0.743458030000000,  0.271743830000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.751541000000000,  0.256541970000000,  0.271743830000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.251541000000000,  0.243458030000000,  0.271743830000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.748459000000000,  0.756541970000000,  0.271743830000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.751541000000000,  0.256541970000000,  0.728256170000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.248459000000000,  0.743458030000000,  0.728256170000000 ]    mass: 15.999400    reduced_to: 48  - symbol: Mg # 49    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 49  - symbol: Mg # 50    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 50  - symbol: Mg # 51    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 51  - 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