# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/44509b58-639f-4480-9d2a-3360728b75b6/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 Ge3Os2 / Pbcn (60) / materials id 16610](https://mdr.nims.go.jp/datasets/e14b635d-31a8-4c93-90cd-893efb8aabf3)

## 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: "Pbcn"  number: 60  Hall_symbol: "-P 2n 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    11.486285190000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.246527570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.747325750000000 ] # c  points:  - symbol: Ge # 1    coordinates: [  0.368317350000000,  0.105678280000000,  0.601441330000000 ]    mass: 72.640000  - symbol: Ge # 2    coordinates: [  0.131682650000000,  0.394321720000000,  0.101441330000000 ]    mass: 72.640000  - symbol: Ge # 3    coordinates: [  0.631682650000000,  0.105678280000000,  0.898558670000000 ]    mass: 72.640000  - symbol: Ge # 4    coordinates: [  0.868317350000000,  0.394321720000000,  0.398558670000000 ]    mass: 72.640000  - symbol: Ge # 5    coordinates: [  0.631682650000000,  0.894321720000000,  0.398558670000000 ]    mass: 72.640000  - symbol: Ge # 6    coordinates: [  0.868317350000000,  0.605678280000000,  0.898558670000000 ]    mass: 72.640000  - symbol: Ge # 7    coordinates: [  0.368317350000000,  0.894321720000000,  0.101441330000000 ]    mass: 72.640000  - symbol: Ge # 8    coordinates: [  0.131682650000000,  0.605678280000000,  0.601441330000000 ]    mass: 72.640000  - symbol: Ge # 9    coordinates: [  0.178617530000000,  0.065464250000000,  0.910009150000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.321382470000000,  0.434535750000000,  0.410009150000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.821382470000000,  0.065464250000000,  0.589990850000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.678617530000000,  0.434535750000000,  0.089990850000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.821382470000000,  0.934535750000000,  0.089990850000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.678617530000000,  0.565464250000000,  0.589990850000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.178617530000000,  0.934535750000000,  0.410009150000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.321382470000000,  0.565464250000000,  0.910009150000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.426895140000000,  0.713217290000000,  0.542864270000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.073104860000000,  0.786782710000000,  0.042864270000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.573104860000000,  0.713217290000000,  0.957135730000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.926895140000000,  0.786782710000000,  0.457135730000000 ]    mass: 72.640000  - symbol: Ge # 21    coordinates: [  0.573104860000000,  0.286782710000000,  0.457135730000000 ]    mass: 72.640000  - symbol: Ge # 22    coordinates: [  0.926895140000000,  0.213217290000000,  0.957135730000000 ]    mass: 72.640000  - symbol: Ge # 23    coordinates: [  0.426895140000000,  0.286782710000000,  0.042864270000000 ]    mass: 72.640000  - symbol: Ge # 24    coordinates: [  0.073104860000000,  0.213217290000000,  0.542864270000000 ]    mass: 72.640000  - symbol: Os # 25    coordinates: [  0.500000000000000,  0.925517840000000,  0.750000000000000 ]    mass: 190.230000  - symbol: Os # 26    coordinates: [  0.000000000000000,  0.574482160000000,  0.250000000000000 ]    mass: 190.230000  - symbol: Os # 27    coordinates: [  0.500000000000000,  0.074482160000000,  0.250000000000000 ]    mass: 190.230000  - symbol: Os # 28    coordinates: [  0.000000000000000,  0.425517840000000,  0.750000000000000 ]    mass: 190.230000  - symbol: Os # 29    coordinates: [  0.500000000000000,  0.459888020000000,  0.750000000000000 ]    mass: 190.230000  - symbol: Os # 30    coordinates: [  0.000000000000000,  0.040111980000000,  0.250000000000000 ]    mass: 190.230000  - symbol: Os # 31    coordinates: [  0.500000000000000,  0.540111980000000,  0.250000000000000 ]    mass: 190.230000  - symbol: Os # 32    coordinates: [  0.000000000000000,  0.959888020000000,  0.750000000000000 ]    mass: 190.230000  - symbol: Os # 33    coordinates: [  0.253998070000000,  0.313379920000000,  0.760310940000000 ]    mass: 190.230000  - symbol: Os # 34    coordinates: [  0.246001930000000,  0.186620080000000,  0.260310940000000 ]    mass: 190.230000  - symbol: Os # 35    coordinates: [  0.746001930000000,  0.313379920000000,  0.739689060000000 ]    mass: 190.230000  - symbol: Os # 36    coordinates: [  0.753998070000000,  0.186620080000000,  0.239689060000000 ]    mass: 190.230000  - symbol: Os # 37    coordinates: [  0.746001930000000,  0.686620080000000,  0.239689060000000 ]    mass: 190.230000  - symbol: Os # 38    coordinates: [  0.753998070000000,  0.813379920000000,  0.739689060000000 ]    mass: 190.230000  - symbol: Os # 39    coordinates: [  0.253998070000000,  0.686620080000000,  0.260310940000000 ]    mass: 190.230000  - symbol: Os # 40    coordinates: [  0.246001930000000,  0.813379920000000,  0.760310940000000 ]    mass: 190.230000  reciprocal_lattice: # without 2pi  - [     0.087060349230281,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.108148706898843,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.173993965802269 ] # c*unit_cell:  lattice:  - [    11.486285190000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.246527570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.747325750000000 ] # c  points:  - symbol: Ge # 1    coordinates: [  0.368317350000000,  0.105678280000000,  0.601441330000000 ]    mass: 72.640000    reduced_to: 1  - symbol: Ge # 2    coordinates: [  0.131682650000000,  0.394321720000000,  0.101441330000000 ]    mass: 72.640000    reduced_to: 2  - symbol: Ge # 3    coordinates: [  0.631682650000000,  0.105678280000000,  0.898558670000000 ]    mass: 72.640000    reduced_to: 3  - symbol: Ge # 4    coordinates: [  0.868317350000000,  0.394321720000000,  0.398558670000000 ]    mass: 72.640000    reduced_to: 4  - symbol: Ge # 5    coordinates: [  0.631682650000000,  0.894321720000000,  0.398558670000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 6    coordinates: [  0.868317350000000,  0.605678280000000,  0.898558670000000 ]    mass: 72.640000    reduced_to: 6  - symbol: Ge # 7    coordinates: [  0.368317350000000,  0.894321720000000,  0.101441330000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 8    coordinates: [  0.131682650000000,  0.605678280000000,  0.601441330000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.178617530000000,  0.065464250000000,  0.910009150000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.321382470000000,  0.434535750000000,  0.410009150000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.821382470000000,  0.065464250000000,  0.589990850000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.678617530000000,  0.434535750000000,  0.089990850000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.821382470000000,  0.934535750000000,  0.089990850000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.678617530000000,  0.565464250000000,  0.589990850000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.178617530000000,  0.934535750000000,  0.410009150000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.321382470000000,  0.565464250000000,  0.910009150000000 ]    mass: 72.640000    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.426895140000000,  0.713217290000000,  0.542864270000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.073104860000000,  0.786782710000000,  0.042864270000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.573104860000000,  0.713217290000000,  0.957135730000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.926895140000000,  0.786782710000000,  0.457135730000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Ge # 21    coordinates: [  0.573104860000000,  0.286782710000000,  0.457135730000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.926895140000000,  0.213217290000000,  0.957135730000000 ]    mass: 72.640000    reduced_to: 22  - symbol: Ge # 23    coordinates: [  0.426895140000000,  0.286782710000000,  0.042864270000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.073104860000000,  0.213217290000000,  0.542864270000000 ]    mass: 72.640000    reduced_to: 24  - symbol: Os # 25    coordinates: [  0.500000000000000,  0.925517840000000,  0.750000000000000 ]    mass: 190.230000    reduced_to: 25  - symbol: Os # 26    coordinates: [  0.000000000000000,  0.574482160000000,  0.250000000000000 ]    mass: 190.230000    reduced_to: 26  - symbol: Os # 27    coordinates: [  0.500000000000000,  0.074482160000000,  0.250000000000000 ]    mass: 190.230000    reduced_to: 27  - symbol: Os # 28    coordinates: [  0.000000000000000,  0.425517840000000,  0.750000000000000 ]    mass: 190.230000    reduced_to: 28  - symbol: Os # 29    coordinates: [  0.500000000000000,  0.459888020000000,  0.750000000000000 ]    mass: 190.230000    reduced_to: 29  - symbol: Os # 30    coordinates: [  0.000000000000000,  0.040111980000000,  0.250000000000000 ]    mass: 190.230000    reduced_to: 30  - symbol: Os # 31    coordinates: [  0.500000000000000,  0.540111980000000,  0.250000000000000 ]    mass: 190.230000    reduced_to: 31  - symbol: Os # 32    coordinates: [  0.000000000000000,  0.959888020000000,  0.750000000000000 ]    mass: 190.230000    reduced_to: 32  - symbol: Os # 33    coordinates: [  0.253998070000000,  0.313379920000000,  0.760310940000000 ]    mass: 190.230000    reduced_to: 33  - symbol: Os # 34    coordinates: [  0.246001930000000,  0.186620080000000,  0.260310940000000 ]    mass: 190.230000    reduced_to: 34  - symbol: Os # 35    coordinates: [  0.746001930000000,  0.313379920000000,  0.739689060000000 ]    mass: 190.230000    reduced_to: 35  - symbol: Os # 36    coordinates: [  0.753998070000000,  0.186620080000000,  0.239689060000000 ]    mass: 190.230000    reduced_to: 36  - symbol: Os # 37    coordinates: [  0.746001930000000,  0.686620080000000,  0.239689060000000 ]    mass: 190.230000    reduced_to: 37  - symbol: Os # 38    coordinates: [  0.753998070000000,  0.813379920000000,  0.739689060000000 ]    mass: 190.230000    reduced_to: 38  - symbol: Os # 39    coordinates: [  0.253998070000000,  0.686620080000000,  0.260310940000000 ]    mass: 190.230000    reduced_to: 39  - symbol: Os # 40    coordinates: [  0.246001930000000,  0.813379920000000,  0.760310940000000 ]    mass: 190.230000    reduced_to: 40supercell:  lattice:  - [    11.486285190000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.246527570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.494651500000000 ] # c  points:  - symbol: Ge # 1    coordinates: [  0.368317350000000,  0.105678280000000,  0.300720665000000 ]    mass: 72.640000    reduced_to: 1  - symbol: Ge # 2    coordinates: [  0.368317350000000,  0.105678280000000,  0.800720665000000 ]    mass: 72.640000    reduced_to: 1  - symbol: Ge # 3    coordinates: [  0.131682650000000,  0.394321720000000,  0.050720665000000 ]    mass: 72.640000    reduced_to: 3  - symbol: Ge # 4    coordinates: [  0.131682650000000,  0.394321720000000,  0.550720665000000 ]    mass: 72.640000    reduced_to: 3  - symbol: Ge # 5    coordinates: [  0.631682650000000,  0.105678280000000,  0.449279335000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 6    coordinates: [  0.631682650000000,  0.105678280000000,  0.949279335000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 7    coordinates: [  0.868317350000000,  0.394321720000000,  0.199279335000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 8    coordinates: [  0.868317350000000,  0.394321720000000,  0.699279335000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 9    coordinates: [  0.631682650000000,  0.894321720000000,  0.199279335000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.631682650000000,  0.894321720000000,  0.699279335000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 11    coordinates: [  0.868317350000000,  0.605678280000000,  0.449279335000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.868317350000000,  0.605678280000000,  0.949279335000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 13    coordinates: [  0.368317350000000,  0.894321720000000,  0.050720665000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.368317350000000,  0.894321720000000,  0.550720665000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 15    coordinates: [  0.131682650000000,  0.605678280000000,  0.300720665000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.131682650000000,  0.605678280000000,  0.800720665000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 17    coordinates: [  0.178617530000000,  0.065464250000000,  0.455004575000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.178617530000000,  0.065464250000000,  0.955004575000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 19    coordinates: [  0.321382470000000,  0.434535750000000,  0.205004575000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.321382470000000,  0.434535750000000,  0.705004575000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 21    coordinates: [  0.821382470000000,  0.065464250000000,  0.294995425000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.821382470000000,  0.065464250000000,  0.794995425000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 23    coordinates: [  0.678617530000000,  0.434535750000000,  0.044995425000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.678617530000000,  0.434535750000000,  0.544995425000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 25    coordinates: [  0.821382470000000,  0.934535750000000,  0.044995425000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.821382470000000,  0.934535750000000,  0.544995425000000 ]    mass: 72.640000    reduced_to: 25  - 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symbol: Ge # 35    coordinates: [  0.073104860000000,  0.786782710000000,  0.021432135000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.073104860000000,  0.786782710000000,  0.521432135000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 37    coordinates: [  0.573104860000000,  0.713217290000000,  0.478567865000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 38    coordinates: [  0.573104860000000,  0.713217290000000,  0.978567865000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 39    coordinates: [  0.926895140000000,  0.786782710000000,  0.228567865000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 40    coordinates: [  0.926895140000000,  0.786782710000000,  0.728567865000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 41    coordinates: [  0.573104860000000,  0.286782710000000,  0.228567865000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 42    coordinates: [  0.573104860000000,  0.286782710000000,  0.728567865000000 ]    mass: 72.640000    reduced_to: 41  - 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