# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f766e9be-206d-47b4-a5b9-c0d66eddefcc/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 Al2Ge(HO3)2 / C2/c (15) / materials id 643346](https://mdr.nims.go.jp/datasets/72000632-87cf-48b8-8087-0217af374852)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.645223325000000,    -4.231815205000000,     0.021098160000000 ] # a  - [     2.645223325000000,     4.231815205000000,     0.021098160000000 ] # b  - [    -1.914121390000000,     0.000000000000000,     8.764021650000000 ] # c  points:  - symbol: Al # 1    coordinates: [  0.713699230000000,  0.443978090000000,  0.913904380000000 ]    mass: 26.981539  - symbol: Al # 2    coordinates: [  0.556021910000000,  0.286300770000000,  0.586095620000000 ]    mass: 26.981539  - symbol: Al # 3    coordinates: [  0.286300770000000,  0.556021910000000,  0.086095620000000 ]    mass: 26.981539  - symbol: Al # 4    coordinates: [  0.443978090000000,  0.713699230000000,  0.413904380000000 ]    mass: 26.981539  - symbol: Ge # 5    coordinates: [  0.279509880000000,  0.720490120000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 6    coordinates: [  0.720490120000000,  0.279509880000000,  0.250000000000000 ]    mass: 72.640000  - symbol: H  # 7    coordinates: [  0.825136080000000,  0.022219600000000,  0.952282360000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.977780400000000,  0.174863920000000,  0.547717640000000 ]    mass: 1.007940  - symbol: H  # 9    coordinates: [  0.174863920000000,  0.977780400000000,  0.047717640000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.022219600000000,  0.825136080000000,  0.452282360000000 ]    mass: 1.007940  - symbol: O  # 11    coordinates: [  0.336304340000000,  0.517224500000000,  0.589803990000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.482775500000000,  0.663695660000000,  0.910196010000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.663695660000000,  0.482775500000000,  0.410196010000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.517224500000000,  0.336304340000000,  0.089803990000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.883634560000000,  0.572164440000000,  0.736636280000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.427835560000000,  0.116365440000000,  0.763363720000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.116365440000000,  0.427835560000000,  0.263363720000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.572164440000000,  0.883634560000000,  0.236636280000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.940296530000000,  0.243788490000000,  0.962211200000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.756211510000000,  0.059703470000000,  0.537788800000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.059703470000000,  0.756211510000000,  0.037788800000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.243788490000000,  0.940296530000000,  0.462211200000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.188691257060367,    -0.118152607280497,     0.041211442151702 ] # a*  - [     0.188691257060367,     0.118152607280497,     0.041211442151702 ] # b*  - [    -0.000908495777634,     0.000000000000000,     0.113904445774538 ] # c*unit_cell:  lattice:  - [     5.290446650000000,     0.000000000000000,     0.042196320000000 ] # a  - [     0.000000000000000,     8.463630410000000,     0.000000000000000 ] # b  - [    -1.914121390000000,     0.000000000000000,     8.764021650000000 ] # c  points:  - symbol: Al # 1    coordinates: [  0.578838660000000,  0.865139430000000,  0.913904380000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 2    coordinates: [  0.421161340000000,  0.865139430000000,  0.586095620000000 ]    mass: 26.981539    reduced_to: 2  - symbol: Al # 3    coordinates: [  0.921161340000000,  0.634860570000000,  0.086095620000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 4    coordinates: [  0.078838660000000,  0.634860570000000,  0.413904380000000 ]    mass: 26.981539    reduced_to: 4  - symbol: Al # 5    coordinates: [  0.078838660000000,  0.365139430000000,  0.913904380000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 6    coordinates: [  0.921161340000000,  0.365139430000000,  0.586095620000000 ]    mass: 26.981539    reduced_to: 2  - symbol: Al # 7    coordinates: [  0.421161340000000,  0.134860570000000,  0.086095620000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 8    coordinates: [  0.578838660000000,  0.134860570000000,  0.413904380000000 ]    mass: 26.981539    reduced_to: 4  - symbol: Ge # 9    coordinates: [  0.000000000000000,  0.720490120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.500000000000000,  0.779509880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.500000000000000,  0.220490120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 12    coordinates: [  0.000000000000000,  0.279509880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 10  - symbol: H  # 13    coordinates: [  0.423677840000000,  0.598541760000000,  0.952282360000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.576322160000000,  0.598541760000000,  0.547717640000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.076322160000000,  0.901458240000000,  0.047717640000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.923677840000000,  0.901458240000000,  0.452282360000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.923677840000000,  0.098541760000000,  0.952282360000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 18    coordinates: [  0.076322160000000,  0.098541760000000,  0.547717640000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 19    coordinates: [  0.576322160000000,  0.401458240000000,  0.047717640000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 20    coordinates: [  0.423677840000000,  0.401458240000000,  0.452282360000000 ]    mass: 1.007940    reduced_to: 16  - symbol: O  # 21    coordinates: [  0.926764420000000,  0.590460080000000,  0.589803990000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.073235580000000,  0.590460080000000,  0.910196010000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.573235580000000,  0.909539920000000,  0.410196010000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.426764420000000,  0.909539920000000,  0.089803990000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.727899500000000,  0.844264940000000,  0.736636280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.772100500000000,  0.344264940000000,  0.763363720000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.772100500000000,  0.655735060000000,  0.263363720000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.727899500000000,  0.155735060000000,  0.236636280000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.592042510000000,  0.651745980000000,  0.962211200000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.407957490000000,  0.651745980000000,  0.537788800000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.907957490000000,  0.848254020000000,  0.037788800000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.092042510000000,  0.848254020000000,  0.462211200000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.426764420000000,  0.090460080000000,  0.589803990000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 34    coordinates: [  0.573235580000000,  0.090460080000000,  0.910196010000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 35    coordinates: [  0.073235580000000,  0.409539920000000,  0.410196010000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 36    coordinates: [  0.926764420000000,  0.409539920000000,  0.089803990000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.227899500000000,  0.344264940000000,  0.736636280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 38    coordinates: [  0.272100500000000,  0.844264940000000,  0.763363720000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 39    coordinates: [  0.272100500000000,  0.155735060000000,  0.263363720000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 40    coordinates: [  0.227899500000000,  0.655735060000000,  0.236636280000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 41    coordinates: [  0.092042510000000,  0.151745980000000,  0.962211200000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 42    coordinates: [  0.907957490000000,  0.151745980000000,  0.537788800000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 43    coordinates: [  0.407957490000000,  0.348254020000000,  0.037788800000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 44    coordinates: [  0.592042510000000,  0.348254020000000,  0.462211200000000 ]    mass: 15.999400    reduced_to: 32supercell:  lattice:  - [    10.580893300000000,     0.000000000000000,     0.084392640000000 ] # a  - [     0.000000000000000,     8.463630410000000,     0.000000000000000 ] # b  - [    -1.914121390000000,     0.000000000000000,     8.764021650000000 ] # c  points:  - symbol: Al # 1    coordinates: [  0.289419330000000,  0.865139430000000,  0.913904380000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 2    coordinates: [  0.789419330000000,  0.865139430000000,  0.913904380000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 3    coordinates: [  0.210580670000000,  0.865139430000000,  0.586095620000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 4    coordinates: [  0.710580670000000,  0.865139430000000,  0.586095620000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 5    coordinates: [  0.460580670000000,  0.634860570000000,  0.086095620000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 6    coordinates: [  0.960580670000000,  0.634860570000000,  0.086095620000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 7    coordinates: [  0.039419330000000,  0.634860570000000,  0.413904380000000 ]    mass: 26.981539    reduced_to: 7  - symbol: Al # 8    coordinates: [  0.539419330000000,  0.634860570000000,  0.413904380000000 ]    mass: 26.981539    reduced_to: 7  - symbol: Al # 9    coordinates: [  0.039419330000000,  0.365139430000000,  0.913904380000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 10    coordinates: [  0.539419330000000,  0.365139430000000,  0.913904380000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 11    coordinates: [  0.460580670000000,  0.365139430000000,  0.586095620000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 12    coordinates: [  0.960580670000000,  0.365139430000000,  0.586095620000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 13    coordinates: [  0.210580670000000,  0.134860570000000,  0.086095620000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 14    coordinates: [  0.710580670000000,  0.134860570000000,  0.086095620000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 15    coordinates: [  0.289419330000000,  0.134860570000000,  0.413904380000000 ]    mass: 26.981539    reduced_to: 7  - symbol: Al # 16    coordinates: [  0.789419330000000,  0.134860570000000,  0.413904380000000 ]    mass: 26.981539    reduced_to: 7  - symbol: Ge # 17    coordinates: [  0.000000000000000,  0.720490120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.500000000000000,  0.720490120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 19    coordinates: [  0.250000000000000,  0.779509880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.750000000000000,  0.779509880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 21    coordinates: [  0.250000000000000,  0.220490120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 22    coordinates: [  0.750000000000000,  0.220490120000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 23    coordinates: [  0.000000000000000,  0.279509880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 24    coordinates: [  0.500000000000000,  0.279509880000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: H  # 25    coordinates: [  0.211838920000000,  0.598541760000000,  0.952282360000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.711838920000000,  0.598541760000000,  0.952282360000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 27    coordinates: [  0.288161080000000,  0.598541760000000,  0.547717640000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 28    coordinates: [  0.788161080000000,  0.598541760000000,  0.547717640000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 29    coordinates: [  0.038161080000000,  0.901458240000000,  0.047717640000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 30    coordinates: [  0.538161080000000,  0.901458240000000,  0.047717640000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 31    coordinates: [  0.461838920000000,  0.901458240000000,  0.452282360000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 32    coordinates: [  0.961838920000000,  0.901458240000000,  0.452282360000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 33    coordinates: [  0.461838920000000,  0.098541760000000,  0.952282360000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 34    coordinates: [  0.961838920000000,  0.098541760000000,  0.952282360000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 35    coordinates: [  0.038161080000000,  0.098541760000000,  0.547717640000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 36    coordinates: [  0.538161080000000,  0.098541760000000,  0.547717640000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 37    coordinates: [  0.288161080000000,  0.401458240000000,  0.047717640000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 38    coordinates: [  0.788161080000000,  0.401458240000000,  0.047717640000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 39    coordinates: [  0.211838920000000,  0.401458240000000,  0.452282360000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 40    coordinates: [  0.711838920000000,  0.401458240000000,  0.452282360000000 ]    mass: 1.007940    reduced_to: 31  - symbol: O  # 41    coordinates: [  0.463382210000000,  0.590460080000000,  0.589803990000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.963382210000000,  0.590460080000000,  0.589803990000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.036617790000000,  0.590460080000000,  0.910196010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.536617790000000,  0.590460080000000,  0.910196010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.286617790000000,  0.909539920000000,  0.410196010000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.786617790000000,  0.909539920000000,  0.410196010000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.213382210000000,  0.909539920000000,  0.089803990000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.713382210000000,  0.909539920000000,  0.089803990000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.363949750000000,  0.844264940000000,  0.736636280000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.863949750000000,  0.844264940000000,  0.736636280000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.386050250000000,  0.344264940000000,  0.763363720000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.886050250000000,  0.344264940000000,  0.763363720000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.386050250000000,  0.655735060000000,  0.263363720000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.886050250000000,  0.655735060000000,  0.263363720000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.363949750000000,  0.155735060000000,  0.236636280000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.863949750000000,  0.155735060000000,  0.236636280000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.296021255000000,  0.651745980000000,  0.962211200000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.796021255000000,  0.651745980000000,  0.962211200000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.203978745000000,  0.651745980000000,  0.537788800000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.703978745000000,  0.651745980000000,  0.537788800000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 61    coordinates: [  0.453978745000000,  0.848254020000000,  0.037788800000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.953978745000000,  0.848254020000000,  0.037788800000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.046021255000000,  0.848254020000000,  0.462211200000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.546021255000000,  0.848254020000000,  0.462211200000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 65    coordinates: [  0.213382210000000,  0.090460080000000,  0.589803990000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.713382210000000,  0.090460080000000,  0.589803990000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 67    coordinates: [  0.286617790000000,  0.090460080000000,  0.910196010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.786617790000000,  0.090460080000000,  0.910196010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 69    coordinates: [  0.036617790000000,  0.409539920000000,  0.410196010000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.536617790000000,  0.409539920000000,  0.410196010000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 71    coordinates: [  0.463382210000000,  0.409539920000000,  0.089803990000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.963382210000000,  0.409539920000000,  0.089803990000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 73    coordinates: [  0.113949750000000,  0.344264940000000,  0.736636280000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.613949750000000,  0.344264940000000,  0.736636280000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 75    coordinates: [  0.136050250000000,  0.844264940000000,  0.763363720000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.636050250000000,  0.844264940000000,  0.763363720000000 ]    mass: 15.999400    reduced_to: 51  - 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