# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/62753dca-e97e-40ad-8384-92df7c27a1a6/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 Tm2Ge2O7 / P4_12_12 (92) / materials id 14708](https://mdr.nims.go.jp/datasets/b4aa08ee-e01b-4158-bb25-ee4f7b4016e2)

## 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_12_12"  number: 92  Hall_symbol: "P 4abw 2nw"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.721938750000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.721938750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.225276080000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.856072930000000,  0.323019310000000,  0.956519240000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.143927070000000,  0.676980690000000,  0.456519240000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.323019310000000,  0.856072930000000,  0.043480760000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.823019310000000,  0.643927070000000,  0.706519240000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.176980690000000,  0.356072930000000,  0.206519240000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.643927070000000,  0.823019310000000,  0.293480760000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.356072930000000,  0.176980690000000,  0.793480760000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.676980690000000,  0.143927070000000,  0.543480760000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.662471370000000,  0.932567020000000,  0.929208150000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.337528630000000,  0.067432980000000,  0.429208150000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.932567020000000,  0.662471370000000,  0.070791850000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.432567020000000,  0.837528630000000,  0.679208150000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.567432980000000,  0.162471370000000,  0.179208150000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.837528630000000,  0.432567020000000,  0.320791850000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.162471370000000,  0.567432980000000,  0.820791850000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.067432980000000,  0.337528630000000,  0.570791850000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.803085680000000,  0.196914320000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.303085680000000,  0.303085680000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.696914320000000,  0.696914320000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.196914320000000,  0.803085680000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.079495690000000,  0.963232230000000,  0.620322410000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.536767770000000,  0.579495690000000,  0.870322410000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.463232230000000,  0.420504310000000,  0.370322410000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.579495690000000,  0.536767770000000,  0.129677590000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.420504310000000,  0.463232230000000,  0.629677590000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.920504310000000,  0.036767770000000,  0.120322410000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.963232230000000,  0.079495690000000,  0.379677590000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.036767770000000,  0.920504310000000,  0.879677590000000 ]    mass: 15.999400  - symbol: Ge # 29    coordinates: [  0.850585840000000,  0.101093420000000,  0.882635650000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.149414160000000,  0.898906580000000,  0.382635650000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.101093420000000,  0.850585840000000,  0.117364350000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.601093420000000,  0.649414160000000,  0.632635650000000 ]    mass: 72.640000  - symbol: Ge # 33    coordinates: [  0.398906580000000,  0.350585840000000,  0.132635650000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.649414160000000,  0.601093420000000,  0.367364350000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.350585840000000,  0.398906580000000,  0.867364350000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.898906580000000,  0.149414160000000,  0.617364350000000 ]    mass: 72.640000  - symbol: Tm # 37    coordinates: [  0.644133800000000,  0.128215420000000,  0.364026400000000 ]    mass: 168.934210  - symbol: Tm # 38    coordinates: [  0.355866200000000,  0.871784580000000,  0.864026400000000 ]    mass: 168.934210  - symbol: Tm # 39    coordinates: [  0.128215420000000,  0.644133800000000,  0.635973600000000 ]    mass: 168.934210  - symbol: Tm # 40    coordinates: [  0.628215420000000,  0.855866200000000,  0.114026400000000 ]    mass: 168.934210  - symbol: Tm # 41    coordinates: [  0.371784580000000,  0.144133800000000,  0.614026400000000 ]    mass: 168.934210  - symbol: Tm # 42    coordinates: [  0.855866200000000,  0.628215420000000,  0.885973600000000 ]    mass: 168.934210  - symbol: Tm # 43    coordinates: [  0.144133800000000,  0.371784580000000,  0.385973600000000 ]    mass: 168.934210  - symbol: Tm # 44    coordinates: [  0.871784580000000,  0.355866200000000,  0.135973600000000 ]    mass: 168.934210  reciprocal_lattice: # without 2pi  - [     0.148766603980139,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.148766603980139,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.081797743744696 ] # c*unit_cell:  lattice:  - [     6.721938750000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.721938750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.225276080000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.856072930000000,  0.323019310000000,  0.956519240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.143927070000000,  0.676980690000000,  0.456519240000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.323019310000000,  0.856072930000000,  0.043480760000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.823019310000000,  0.643927070000000,  0.706519240000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.176980690000000,  0.356072930000000,  0.206519240000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.643927070000000,  0.823019310000000,  0.293480760000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.356072930000000,  0.176980690000000,  0.793480760000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.676980690000000,  0.143927070000000,  0.543480760000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.662471370000000,  0.932567020000000,  0.929208150000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.337528630000000,  0.067432980000000,  0.429208150000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.932567020000000,  0.662471370000000,  0.070791850000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.432567020000000,  0.837528630000000,  0.679208150000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.567432980000000,  0.162471370000000,  0.179208150000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.837528630000000,  0.432567020000000,  0.320791850000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.162471370000000,  0.567432980000000,  0.820791850000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.067432980000000,  0.337528630000000,  0.570791850000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.803085680000000,  0.196914320000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.303085680000000,  0.303085680000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.696914320000000,  0.696914320000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.196914320000000,  0.803085680000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.079495690000000,  0.963232230000000,  0.620322410000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.536767770000000,  0.579495690000000,  0.870322410000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.463232230000000,  0.420504310000000,  0.370322410000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.579495690000000,  0.536767770000000,  0.129677590000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.420504310000000,  0.463232230000000,  0.629677590000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.920504310000000,  0.036767770000000,  0.120322410000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.963232230000000,  0.079495690000000,  0.379677590000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.036767770000000,  0.920504310000000,  0.879677590000000 ]    mass: 15.999400    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.850585840000000,  0.101093420000000,  0.882635650000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.149414160000000,  0.898906580000000,  0.382635650000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.101093420000000,  0.850585840000000,  0.117364350000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.601093420000000,  0.649414160000000,  0.632635650000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.398906580000000,  0.350585840000000,  0.132635650000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.649414160000000,  0.601093420000000,  0.367364350000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.350585840000000,  0.398906580000000,  0.867364350000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.898906580000000,  0.149414160000000,  0.617364350000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Tm # 37    coordinates: [  0.644133800000000,  0.128215420000000,  0.364026400000000 ]    mass: 168.934210    reduced_to: 37  - symbol: Tm # 38    coordinates: [  0.355866200000000,  0.871784580000000,  0.864026400000000 ]    mass: 168.934210    reduced_to: 38  - symbol: Tm # 39    coordinates: [  0.128215420000000,  0.644133800000000,  0.635973600000000 ]    mass: 168.934210    reduced_to: 39  - symbol: Tm # 40    coordinates: [  0.628215420000000,  0.855866200000000,  0.114026400000000 ]    mass: 168.934210    reduced_to: 40  - symbol: Tm # 41    coordinates: [  0.371784580000000,  0.144133800000000,  0.614026400000000 ]    mass: 168.934210    reduced_to: 41  - symbol: Tm # 42    coordinates: [  0.855866200000000,  0.628215420000000,  0.885973600000000 ]    mass: 168.934210    reduced_to: 42  - symbol: Tm # 43    coordinates: [  0.144133800000000,  0.371784580000000,  0.385973600000000 ]    mass: 168.934210    reduced_to: 43  - symbol: Tm # 44    coordinates: [  0.871784580000000,  0.355866200000000,  0.135973600000000 ]    mass: 168.934210    reduced_to: 44supercell:  lattice:  - [     6.721938750000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.721938750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.225276080000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.856072930000000,  0.323019310000000,  0.956519240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.143927070000000,  0.676980690000000,  0.456519240000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.323019310000000,  0.856072930000000,  0.043480760000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.823019310000000,  0.643927070000000,  0.706519240000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.176980690000000,  0.356072930000000,  0.206519240000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.643927070000000,  0.823019310000000,  0.293480760000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.356072930000000,  0.176980690000000,  0.793480760000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.676980690000000,  0.143927070000000,  0.543480760000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.662471370000000,  0.932567020000000,  0.929208150000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.337528630000000,  0.067432980000000,  0.429208150000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.932567020000000,  0.662471370000000,  0.070791850000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.432567020000000,  0.837528630000000,  0.679208150000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.567432980000000,  0.162471370000000,  0.179208150000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.837528630000000,  0.432567020000000,  0.320791850000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.162471370000000,  0.567432980000000,  0.820791850000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.067432980000000,  0.337528630000000,  0.570791850000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.803085680000000,  0.196914320000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.303085680000000,  0.303085680000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.696914320000000,  0.696914320000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.196914320000000,  0.803085680000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.079495690000000,  0.963232230000000,  0.620322410000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.536767770000000,  0.579495690000000,  0.870322410000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.463232230000000,  0.420504310000000,  0.370322410000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.579495690000000,  0.536767770000000,  0.129677590000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.420504310000000,  0.463232230000000,  0.629677590000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.920504310000000,  0.036767770000000,  0.120322410000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.963232230000000,  0.079495690000000,  0.379677590000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.036767770000000,  0.920504310000000,  0.879677590000000 ]    mass: 15.999400    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.850585840000000,  0.101093420000000,  0.882635650000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.149414160000000,  0.898906580000000,  0.382635650000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.101093420000000,  0.850585840000000,  0.117364350000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.601093420000000,  0.649414160000000,  0.632635650000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.398906580000000,  0.350585840000000,  0.132635650000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.649414160000000,  0.601093420000000,  0.367364350000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.350585840000000,  0.398906580000000,  0.867364350000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.898906580000000,  0.149414160000000,  0.617364350000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Tm # 37    coordinates: [  0.644133800000000,  0.128215420000000,  0.364026400000000 ]    mass: 168.934210    reduced_to: 37  - symbol: Tm # 38    coordinates: [  0.355866200000000,  0.871784580000000,  0.864026400000000 ]    mass: 168.934210    reduced_to: 38  - symbol: Tm # 39    coordinates: [  0.128215420000000,  0.644133800000000,  0.635973600000000 ]    mass: 168.934210    reduced_to: 39  - symbol: Tm # 40    coordinates: [  0.628215420000000,  0.855866200000000,  0.114026400000000 ]    mass: 168.934210    reduced_to: 40  - symbol: Tm # 41    coordinates: [  0.371784580000000,  0.144133800000000,  0.614026400000000 ]    mass: 168.934210    reduced_to: 41  - symbol: Tm # 42    coordinates: [  0.855866200000000,  0.628215420000000,  0.885973600000000 ]    mass: 168.934210    reduced_to: 42  - 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