# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3c0e9df1-414c-4f8f-b89a-a1db7a37343d/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 Zn2Ge3O8 / P4_332 (212) / materials id 27843](https://mdr.nims.go.jp/datasets/13036ceb-8a7d-4b0d-b607-1dbb521f8ead)

## 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: "P4_332"  number: 212  Hall_symbol: "P 4acd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.240439920000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.240439920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.240439920000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.861835790000000,  0.861835790000000,  0.861835790000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.611835790000000,  0.888164210000000,  0.111835790000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.888164210000000,  0.111835790000000,  0.611835790000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.111835790000000,  0.611835790000000,  0.888164210000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.361835790000000,  0.638164210000000,  0.138164210000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.638164210000000,  0.138164210000000,  0.361835790000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.138164210000000,  0.361835790000000,  0.638164210000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.388164210000000,  0.388164210000000,  0.388164210000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.150182000000000,  0.854639040000000,  0.111021050000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.650182000000000,  0.645360960000000,  0.888978950000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.854639040000000,  0.111021050000000,  0.150182000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.145360960000000,  0.611021050000000,  0.349818000000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.111021050000000,  0.150182000000000,  0.854639040000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.388978950000000,  0.849818000000000,  0.354639040000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.400182000000000,  0.861021050000000,  0.895360960000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.900182000000000,  0.638978950000000,  0.104639040000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.599818000000000,  0.361021050000000,  0.604639040000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.638978950000000,  0.104639040000000,  0.900182000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.604639040000000,  0.599818000000000,  0.361021050000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.104639040000000,  0.900182000000000,  0.638978950000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.099818000000000,  0.138978950000000,  0.395360960000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.849818000000000,  0.354639040000000,  0.388978950000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.349818000000000,  0.145360960000000,  0.611021050000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.645360960000000,  0.888978950000000,  0.650182000000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.354639040000000,  0.388978950000000,  0.849818000000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.611021050000000,  0.349818000000000,  0.145360960000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.888978950000000,  0.650182000000000,  0.645360960000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.395360960000000,  0.099818000000000,  0.138978950000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.138978950000000,  0.395360960000000,  0.099818000000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.361021050000000,  0.604639040000000,  0.599818000000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.895360960000000,  0.400182000000000,  0.861021050000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.861021050000000,  0.895360960000000,  0.400182000000000 ]    mass: 15.999400  - symbol: Zn # 33    coordinates: [  0.248441360000000,  0.248441360000000,  0.248441360000000 ]    mass: 65.380000  - symbol: Zn # 34    coordinates: [  0.998441360000000,  0.501558640000000,  0.498441360000000 ]    mass: 65.380000  - symbol: Zn # 35    coordinates: [  0.501558640000000,  0.498441360000000,  0.998441360000000 ]    mass: 65.380000  - symbol: Zn # 36    coordinates: [  0.498441360000000,  0.998441360000000,  0.501558640000000 ]    mass: 65.380000  - symbol: Zn # 37    coordinates: [  0.748441360000000,  0.251558640000000,  0.751558640000000 ]    mass: 65.380000  - symbol: Zn # 38    coordinates: [  0.251558640000000,  0.751558640000000,  0.748441360000000 ]    mass: 65.380000  - symbol: Zn # 39    coordinates: [  0.751558640000000,  0.748441360000000,  0.251558640000000 ]    mass: 65.380000  - symbol: Zn # 40    coordinates: [  0.001558640000000,  0.001558640000000,  0.001558640000000 ]    mass: 65.380000  - symbol: Ge # 41    coordinates: [  0.625000000000000,  0.129564780000000,  0.120435220000000 ]    mass: 72.640000  - symbol: Ge # 42    coordinates: [  0.620435220000000,  0.875000000000000,  0.870435220000000 ]    mass: 72.640000  - symbol: Ge # 43    coordinates: [  0.629564780000000,  0.379564780000000,  0.375000000000000 ]    mass: 72.640000  - symbol: Ge # 44    coordinates: [  0.370435220000000,  0.879564780000000,  0.125000000000000 ]    mass: 72.640000  - symbol: Ge # 45    coordinates: [  0.879564780000000,  0.125000000000000,  0.370435220000000 ]    mass: 72.640000  - symbol: Ge # 46    coordinates: [  0.120435220000000,  0.625000000000000,  0.129564780000000 ]    mass: 72.640000  - symbol: Ge # 47    coordinates: [  0.379564780000000,  0.375000000000000,  0.629564780000000 ]    mass: 72.640000  - symbol: Ge # 48    coordinates: [  0.870435220000000,  0.620435220000000,  0.875000000000000 ]    mass: 72.640000  - symbol: Ge # 49    coordinates: [  0.129564780000000,  0.120435220000000,  0.625000000000000 ]    mass: 72.640000  - symbol: Ge # 50    coordinates: [  0.375000000000000,  0.629564780000000,  0.379564780000000 ]    mass: 72.640000  - symbol: Ge # 51    coordinates: [  0.875000000000000,  0.870435220000000,  0.620435220000000 ]    mass: 72.640000  - symbol: Ge # 52    coordinates: [  0.125000000000000,  0.370435220000000,  0.879564780000000 ]    mass: 72.640000  reciprocal_lattice: # without 2pi  - [     0.121352744478234,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.121352744478234,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.121352744478234 ] # c*unit_cell:  lattice:  - [     8.240439920000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.240439920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.240439920000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.861835790000000,  0.861835790000000,  0.861835790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.611835790000000,  0.888164210000000,  0.111835790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.888164210000000,  0.111835790000000,  0.611835790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.111835790000000,  0.611835790000000,  0.888164210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.361835790000000,  0.638164210000000,  0.138164210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.638164210000000,  0.138164210000000,  0.361835790000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.138164210000000,  0.361835790000000,  0.638164210000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.388164210000000,  0.388164210000000,  0.388164210000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.150182000000000,  0.854639040000000,  0.111021050000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.650182000000000,  0.645360960000000,  0.888978950000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.854639040000000,  0.111021050000000,  0.150182000000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.145360960000000,  0.611021050000000,  0.349818000000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.111021050000000,  0.150182000000000,  0.854639040000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.388978950000000,  0.849818000000000,  0.354639040000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.400182000000000,  0.861021050000000,  0.895360960000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.900182000000000,  0.638978950000000,  0.104639040000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.599818000000000,  0.361021050000000,  0.604639040000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.638978950000000,  0.104639040000000,  0.900182000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.604639040000000,  0.599818000000000,  0.361021050000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.104639040000000,  0.900182000000000,  0.638978950000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.099818000000000,  0.138978950000000,  0.395360960000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.849818000000000,  0.354639040000000,  0.388978950000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.349818000000000,  0.145360960000000,  0.611021050000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.645360960000000,  0.888978950000000,  0.650182000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.354639040000000,  0.388978950000000,  0.849818000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.611021050000000,  0.349818000000000,  0.145360960000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.888978950000000,  0.650182000000000,  0.645360960000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.395360960000000,  0.099818000000000,  0.138978950000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.138978950000000,  0.395360960000000,  0.099818000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.361021050000000,  0.604639040000000,  0.599818000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.895360960000000,  0.400182000000000,  0.861021050000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.861021050000000,  0.895360960000000,  0.400182000000000 ]    mass: 15.999400    reduced_to: 32  - symbol: Zn # 33    coordinates: [  0.248441360000000,  0.248441360000000,  0.248441360000000 ]    mass: 65.380000    reduced_to: 33  - symbol: Zn # 34    coordinates: [  0.998441360000000,  0.501558640000000,  0.498441360000000 ]    mass: 65.380000    reduced_to: 34  - symbol: Zn # 35    coordinates: [  0.501558640000000,  0.498441360000000,  0.998441360000000 ]    mass: 65.380000    reduced_to: 35  - symbol: Zn # 36    coordinates: [  0.498441360000000,  0.998441360000000,  0.501558640000000 ]    mass: 65.380000    reduced_to: 36  - symbol: Zn # 37    coordinates: [  0.748441360000000,  0.251558640000000,  0.751558640000000 ]    mass: 65.380000    reduced_to: 37  - symbol: Zn # 38    coordinates: [  0.251558640000000,  0.751558640000000,  0.748441360000000 ]    mass: 65.380000    reduced_to: 38  - symbol: Zn # 39    coordinates: [  0.751558640000000,  0.748441360000000,  0.251558640000000 ]    mass: 65.380000    reduced_to: 39  - symbol: Zn # 40    coordinates: [  0.001558640000000,  0.001558640000000,  0.001558640000000 ]    mass: 65.380000    reduced_to: 40  - symbol: Ge # 41    coordinates: [  0.625000000000000,  0.129564780000000,  0.120435220000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 42    coordinates: [  0.620435220000000,  0.875000000000000,  0.870435220000000 ]    mass: 72.640000    reduced_to: 42  - symbol: Ge # 43    coordinates: [  0.629564780000000,  0.379564780000000,  0.375000000000000 ]    mass: 72.640000    reduced_to: 43  - symbol: Ge # 44    coordinates: [  0.370435220000000,  0.879564780000000,  0.125000000000000 ]    mass: 72.640000    reduced_to: 44  - symbol: Ge # 45    coordinates: [  0.879564780000000,  0.125000000000000,  0.370435220000000 ]    mass: 72.640000    reduced_to: 45  - symbol: Ge # 46    coordinates: [  0.120435220000000,  0.625000000000000,  0.129564780000000 ]    mass: 72.640000    reduced_to: 46  - symbol: Ge # 47    coordinates: [  0.379564780000000,  0.375000000000000,  0.629564780000000 ]    mass: 72.640000    reduced_to: 47  - symbol: Ge # 48    coordinates: [  0.870435220000000,  0.620435220000000,  0.875000000000000 ]    mass: 72.640000    reduced_to: 48  - symbol: Ge # 49    coordinates: [  0.129564780000000,  0.120435220000000,  0.625000000000000 ]    mass: 72.640000    reduced_to: 49  - symbol: Ge # 50    coordinates: [  0.375000000000000,  0.629564780000000,  0.379564780000000 ]    mass: 72.640000    reduced_to: 50  - symbol: Ge # 51    coordinates: [  0.875000000000000,  0.870435220000000,  0.620435220000000 ]    mass: 72.640000    reduced_to: 51  - symbol: Ge # 52    coordinates: [  0.125000000000000,  0.370435220000000,  0.879564780000000 ]    mass: 72.640000    reduced_to: 52supercell:  lattice:  - [     8.240439920000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.240439920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.240439920000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.861835790000000,  0.861835790000000,  0.861835790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.611835790000000,  0.888164210000000,  0.111835790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.888164210000000,  0.111835790000000,  0.611835790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.111835790000000,  0.611835790000000,  0.888164210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.361835790000000,  0.638164210000000,  0.138164210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.638164210000000,  0.138164210000000,  0.361835790000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.138164210000000,  0.361835790000000,  0.638164210000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.388164210000000,  0.388164210000000,  0.388164210000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.150182000000000,  0.854639040000000,  0.111021050000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.650182000000000,  0.645360960000000,  0.888978950000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.854639040000000,  0.111021050000000,  0.150182000000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.145360960000000,  0.611021050000000,  0.349818000000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.111021050000000,  0.150182000000000,  0.854639040000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.388978950000000,  0.849818000000000,  0.354639040000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.400182000000000,  0.861021050000000,  0.895360960000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.900182000000000,  0.638978950000000,  0.104639040000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.599818000000000,  0.361021050000000,  0.604639040000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.638978950000000,  0.104639040000000,  0.900182000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.604639040000000,  0.599818000000000,  0.361021050000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.104639040000000,  0.900182000000000,  0.638978950000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.099818000000000,  0.138978950000000,  0.395360960000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.849818000000000,  0.354639040000000,  0.388978950000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.349818000000000,  0.145360960000000,  0.611021050000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.645360960000000,  0.888978950000000,  0.650182000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.354639040000000,  0.388978950000000,  0.849818000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.611021050000000,  0.349818000000000,  0.145360960000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.888978950000000,  0.650182000000000,  0.645360960000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.395360960000000,  0.099818000000000,  0.138978950000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.138978950000000,  0.395360960000000,  0.099818000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.361021050000000,  0.604639040000000,  0.599818000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.895360960000000,  0.400182000000000,  0.861021050000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.861021050000000,  0.895360960000000,  0.400182000000000 ]    mass: 15.999400    reduced_to: 32  - symbol: Zn # 33    coordinates: [  0.248441360000000,  0.248441360000000,  0.248441360000000 ]    mass: 65.380000    reduced_to: 33  - symbol: Zn # 34    coordinates: [  0.998441360000000,  0.501558640000000,  0.498441360000000 ]    mass: 65.380000    reduced_to: 34  - symbol: Zn # 35    coordinates: [  0.501558640000000,  0.498441360000000,  0.998441360000000 ]    mass: 65.380000    reduced_to: 35  - symbol: Zn # 36    coordinates: [  0.498441360000000,  0.998441360000000,  0.501558640000000 ]    mass: 65.380000    reduced_to: 36  - symbol: Zn # 37    coordinates: [  0.748441360000000,  0.251558640000000,  0.751558640000000 ]    mass: 65.380000    reduced_to: 37  - symbol: Zn # 38    coordinates: [  0.251558640000000,  0.751558640000000,  0.748441360000000 ]    mass: 65.380000    reduced_to: 38  - symbol: Zn # 39    coordinates: [  0.751558640000000,  0.748441360000000,  0.251558640000000 ]    mass: 65.380000    reduced_to: 39  - symbol: Zn # 40    coordinates: [  0.001558640000000,  0.001558640000000,  0.001558640000000 ]    mass: 65.380000    reduced_to: 40  - symbol: Ge # 41    coordinates: [  0.625000000000000,  0.129564780000000,  0.120435220000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 42    coordinates: [  0.620435220000000,  0.875000000000000,  0.870435220000000 ]    mass: 72.640000    reduced_to: 42  - symbol: Ge # 43    coordinates: [  0.629564780000000,  0.379564780000000,  0.375000000000000 ]    mass: 72.640000    reduced_to: 43  - 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