# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cf1d1909-76bc-4589-a64f-2156a929955b/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 K2Ge4O9 / P-3c1 (165) / materials id 560875](https://mdr.nims.go.jp/datasets/462ee5b0-f152-4d2c-b353-9395fdde7cb5)

## 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: "P-3c1"  number: 165  Hall_symbol: "-P 3 2\"c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    11.878380590000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.939190290000000,    10.286979329999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.862382390000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.337205400000000,  0.335252020000000,  0.571045970000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.001953360000000,  0.337205400000000,  0.428954030000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.664747980000000,  0.662794600000000,  0.071045970000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.664747980000000,  0.001953360000000,  0.571045970000000 ]    mass: 39.098300  - symbol: K  # 5    coordinates: [  0.001953360000000,  0.664747980000000,  0.928954030000000 ]    mass: 39.098300  - symbol: K  # 6    coordinates: [  0.662794600000000,  0.664747980000000,  0.428954030000000 ]    mass: 39.098300  - symbol: K  # 7    coordinates: [  0.998046640000000,  0.662794600000000,  0.571045970000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.335252020000000,  0.337205400000000,  0.928954030000000 ]    mass: 39.098300  - symbol: K  # 9    coordinates: [  0.335252020000000,  0.998046640000000,  0.428954030000000 ]    mass: 39.098300  - symbol: K  # 10    coordinates: [  0.662794600000000,  0.998046640000000,  0.928954030000000 ]    mass: 39.098300  - symbol: K  # 11    coordinates: [  0.998046640000000,  0.335252020000000,  0.071045970000000 ]    mass: 39.098300  - symbol: K  # 12    coordinates: [  0.337205400000000,  0.001953360000000,  0.071045970000000 ]    mass: 39.098300  - symbol: Ge # 13    coordinates: [  0.824544070000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.513484540000000,  0.848670760000000,  0.214597640000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.175455930000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.151329240000000,  0.486515460000000,  0.714597640000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.664813790000000,  0.513484540000000,  0.785402360000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.848670760000000,  0.335186210000000,  0.785402360000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.486515460000000,  0.335186210000000,  0.285402360000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.664813790000000,  0.151329240000000,  0.285402360000000 ]    mass: 72.640000  - symbol: Ge # 21    coordinates: [  0.000000000000000,  0.175455930000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 22    coordinates: [  0.513484540000000,  0.664813790000000,  0.714597640000000 ]    mass: 72.640000  - symbol: Ge # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.462370310000000 ]    mass: 72.640000  - symbol: Ge # 24    coordinates: [  0.848670760000000,  0.513484540000000,  0.285402360000000 ]    mass: 72.640000  - symbol: Ge # 25    coordinates: [  0.151329240000000,  0.664813790000000,  0.214597640000000 ]    mass: 72.640000  - symbol: Ge # 26    coordinates: [  0.335186210000000,  0.848670760000000,  0.714597640000000 ]    mass: 72.640000  - symbol: Ge # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 28    coordinates: [  0.335186210000000,  0.486515460000000,  0.214597640000000 ]    mass: 72.640000  - symbol: Ge # 29    coordinates: [  0.666666670000000,  0.333333330000000,  0.037629690000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.486515460000000,  0.151329240000000,  0.785402360000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.333333330000000,  0.666666670000000,  0.962370310000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.000000000000000,  0.824544070000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 33    coordinates: [  0.175455930000000,  0.175455930000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.824544070000000,  0.824544070000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.666666670000000,  0.333333330000000,  0.537629690000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: O  # 37    coordinates: [  0.817319500000000,  0.417834040000000,  0.430098780000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.253594750000000,  0.515005080000000,  0.852168490000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.261410330000000,  0.746405250000000,  0.852168490000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.150505110000000,  0.081643310000000,  0.615174590000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.738589670000000,  0.253594750000000,  0.147831510000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.582165960000000,  0.182680500000000,  0.930098780000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.522237220000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.477762780000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.399485460000000,  0.817319500000000,  0.569901220000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.081643310000000,  0.150505110000000,  0.884825410000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.849494890000000,  0.931138190000000,  0.884825410000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.253594750000000,  0.738589670000000,  0.352168490000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.886087170000000,  0.674658220000000,  0.332707300000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.600514540000000,  0.417834040000000,  0.930098780000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.886087170000000,  0.211428950000000,  0.832707300000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.417834040000000,  0.600514540000000,  0.569901220000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.515005080000000,  0.253594750000000,  0.647831510000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.918356690000000,  0.068861810000000,  0.615174590000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.211428950000000,  0.325341780000000,  0.167292700000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.113912830000000,  0.788571050000000,  0.167292700000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.931138190000000,  0.081643310000000,  0.115174590000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.738589670000000,  0.484994920000000,  0.647831510000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.746405250000000,  0.484994920000000,  0.147831510000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.788571050000000,  0.674658220000000,  0.832707300000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.325341780000000,  0.113912830000000,  0.832707300000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.600514540000000,  0.182680500000000,  0.430098780000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.068861810000000,  0.150505110000000,  0.384825410000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.182680500000000,  0.600514540000000,  0.069901220000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.417834040000000,  0.817319500000000,  0.069901220000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.325341780000000,  0.211428950000000,  0.332707300000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.113912830000000,  0.325341780000000,  0.667292700000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.477762780000000,  0.477762780000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.746405250000000,  0.261410330000000,  0.647831510000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.931138190000000,  0.849494890000000,  0.615174590000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.484994920000000,  0.738589670000000,  0.852168490000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.515005080000000,  0.261410330000000,  0.147831510000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.068861810000000,  0.918356690000000,  0.884825410000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.582165960000000,  0.399485460000000,  0.430098780000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.522237220000000,  0.522237220000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.849494890000000,  0.918356690000000,  0.384825410000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.817319500000000,  0.399485460000000,  0.930098780000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.399485460000000,  0.582165960000000,  0.069901220000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.211428950000000,  0.886087170000000,  0.667292700000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.484994920000000,  0.746405250000000,  0.352168490000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.150505110000000,  0.068861810000000,  0.115174590000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.674658220000000,  0.886087170000000,  0.167292700000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.918356690000000,  0.849494890000000,  0.115174590000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.788571050000000,  0.113912830000000,  0.332707300000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.000000000000000,  0.477762780000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.674658220000000,  0.788571050000000,  0.667292700000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.000000000000000,  0.522237220000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.182680500000000,  0.582165960000000,  0.569901220000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.081643310000000,  0.931138190000000,  0.384825410000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.261410330000000,  0.515005080000000,  0.352168490000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.084186559979554,     0.048605133104614,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.097210266291067,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.101395378971916 ] # c*unit_cell:  lattice:  - [    11.878380590000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.939190290000000,    10.286979329999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.862382390000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.337205400000000,  0.335252020000000,  0.571045970000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.001953360000000,  0.337205400000000,  0.428954030000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.664747980000000,  0.662794600000000,  0.071045970000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.664747980000000,  0.001953360000000,  0.571045970000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.001953360000000,  0.664747980000000,  0.928954030000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.662794600000000,  0.664747980000000,  0.428954030000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 7    coordinates: [  0.998046640000000,  0.662794600000000,  0.571045970000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.335252020000000,  0.337205400000000,  0.928954030000000 ]    mass: 39.098300    reduced_to: 8  - symbol: K  # 9    coordinates: [  0.335252020000000,  0.998046640000000,  0.428954030000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.662794600000000,  0.998046640000000,  0.928954030000000 ]    mass: 39.098300    reduced_to: 10  - symbol: K  # 11    coordinates: [  0.998046640000000,  0.335252020000000,  0.071045970000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 12    coordinates: [  0.337205400000000,  0.001953360000000,  0.071045970000000 ]    mass: 39.098300    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.824544070000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.513484540000000,  0.848670760000000,  0.214597640000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.175455930000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.151329240000000,  0.486515460000000,  0.714597640000000 ]    mass: 72.640000    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.664813790000000,  0.513484540000000,  0.785402360000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.848670760000000,  0.335186210000000,  0.785402360000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.486515460000000,  0.335186210000000,  0.285402360000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.664813790000000,  0.151329240000000,  0.285402360000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Ge # 21    coordinates: [  0.000000000000000,  0.175455930000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.513484540000000,  0.664813790000000,  0.714597640000000 ]    mass: 72.640000    reduced_to: 22  - symbol: Ge # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.462370310000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.848670760000000,  0.513484540000000,  0.285402360000000 ]    mass: 72.640000    reduced_to: 24  - symbol: Ge # 25    coordinates: [  0.151329240000000,  0.664813790000000,  0.214597640000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.335186210000000,  0.848670760000000,  0.714597640000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.335186210000000,  0.486515460000000,  0.214597640000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.666666670000000,  0.333333330000000,  0.037629690000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.486515460000000,  0.151329240000000,  0.785402360000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.333333330000000,  0.666666670000000,  0.962370310000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.000000000000000,  0.824544070000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.175455930000000,  0.175455930000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.824544070000000,  0.824544070000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.666666670000000,  0.333333330000000,  0.537629690000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.817319500000000,  0.417834040000000,  0.430098780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.253594750000000,  0.515005080000000,  0.852168490000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.261410330000000,  0.746405250000000,  0.852168490000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.150505110000000,  0.081643310000000,  0.615174590000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.738589670000000,  0.253594750000000,  0.147831510000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.582165960000000,  0.182680500000000,  0.930098780000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.522237220000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.477762780000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.399485460000000,  0.817319500000000,  0.569901220000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.081643310000000,  0.150505110000000,  0.884825410000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.849494890000000,  0.931138190000000,  0.884825410000000 ]    mass: 15.999400    reduced_to: 47  - 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