# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2147d6b4-4070-4f61-b0d5-6057b7641ac6/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 Tm2GeO5 / Pnma (62) / materials id 770379](https://mdr.nims.go.jp/datasets/b001b5f8-81e5-475f-b363-a7daf235bb45)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.073392060000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.623423390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.899578610000001 ] # c  points:  - symbol: Tm # 1    coordinates: [  0.888158150000000,  0.750000000000000,  0.778406310000000 ]    mass: 168.934210  - symbol: Tm # 2    coordinates: [  0.864461480000000,  0.750000000000000,  0.444724860000000 ]    mass: 168.934210  - symbol: Tm # 3    coordinates: [  0.635538520000000,  0.250000000000000,  0.944724860000000 ]    mass: 168.934210  - symbol: Tm # 4    coordinates: [  0.611841850000000,  0.250000000000000,  0.278406310000000 ]    mass: 168.934210  - symbol: Tm # 5    coordinates: [  0.388158150000000,  0.750000000000000,  0.721593690000000 ]    mass: 168.934210  - symbol: Tm # 6    coordinates: [  0.364461480000000,  0.750000000000000,  0.055275140000000 ]    mass: 168.934210  - symbol: Tm # 7    coordinates: [  0.135538520000000,  0.250000000000000,  0.555275140000000 ]    mass: 168.934210  - symbol: Tm # 8    coordinates: [  0.111841850000000,  0.250000000000000,  0.221593690000000 ]    mass: 168.934210  - symbol: Ge # 9    coordinates: [  0.826214850000000,  0.750000000000000,  0.120445970000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.673785150000000,  0.250000000000000,  0.620445970000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.326214850000000,  0.750000000000000,  0.379554030000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.173785150000000,  0.250000000000000,  0.879554030000000 ]    mass: 72.640000  - symbol: O  # 13    coordinates: [  0.007912790000000,  0.750000000000000,  0.605096470000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.995385950000000,  0.750000000000000,  0.154887230000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.765799910000000,  0.250000000000000,  0.118204350000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.756039460000000,  0.250000000000000,  0.770591200000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.776208870000000,  0.750000000000000,  0.960640980000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.723791130000000,  0.250000000000000,  0.460640980000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.743960540000000,  0.750000000000000,  0.270591200000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.734200090000000,  0.750000000000000,  0.618204350000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.504614050000000,  0.250000000000000,  0.654887230000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.492087210000000,  0.250000000000000,  0.105096470000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.507912790000000,  0.750000000000000,  0.894903530000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.495385950000000,  0.750000000000000,  0.345112770000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.265799910000000,  0.250000000000000,  0.381795650000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.256039460000000,  0.250000000000000,  0.729408800000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.276208870000000,  0.750000000000000,  0.539359020000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.223791130000000,  0.250000000000000,  0.039359020000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.243960540000000,  0.750000000000000,  0.229408800000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.234200090000000,  0.750000000000000,  0.881795650000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.004614050000000,  0.250000000000000,  0.845112770000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.992087210000000,  0.250000000000000,  0.394903530000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.099271426550631,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.275982101004211,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.091746666158500 ] # c*unit_cell:  lattice:  - [    10.073392060000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.623423390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.899578610000001 ] # c  points:  - symbol: Tm # 1    coordinates: [  0.888158150000000,  0.750000000000000,  0.778406310000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 2    coordinates: [  0.864461480000000,  0.750000000000000,  0.444724860000000 ]    mass: 168.934210    reduced_to: 2  - symbol: Tm # 3    coordinates: [  0.635538520000000,  0.250000000000000,  0.944724860000000 ]    mass: 168.934210    reduced_to: 3  - symbol: Tm # 4    coordinates: [  0.611841850000000,  0.250000000000000,  0.278406310000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 5    coordinates: [  0.388158150000000,  0.750000000000000,  0.721593690000000 ]    mass: 168.934210    reduced_to: 5  - symbol: Tm # 6    coordinates: [  0.364461480000000,  0.750000000000000,  0.055275140000000 ]    mass: 168.934210    reduced_to: 6  - symbol: Tm # 7    coordinates: [  0.135538520000000,  0.250000000000000,  0.555275140000000 ]    mass: 168.934210    reduced_to: 7  - symbol: Tm # 8    coordinates: [  0.111841850000000,  0.250000000000000,  0.221593690000000 ]    mass: 168.934210    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.826214850000000,  0.750000000000000,  0.120445970000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.673785150000000,  0.250000000000000,  0.620445970000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.326214850000000,  0.750000000000000,  0.379554030000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.173785150000000,  0.250000000000000,  0.879554030000000 ]    mass: 72.640000    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.007912790000000,  0.750000000000000,  0.605096470000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.995385950000000,  0.750000000000000,  0.154887230000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.765799910000000,  0.250000000000000,  0.118204350000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.756039460000000,  0.250000000000000,  0.770591200000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.776208870000000,  0.750000000000000,  0.960640980000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.723791130000000,  0.250000000000000,  0.460640980000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.743960540000000,  0.750000000000000,  0.270591200000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.734200090000000,  0.750000000000000,  0.618204350000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.504614050000000,  0.250000000000000,  0.654887230000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.492087210000000,  0.250000000000000,  0.105096470000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.507912790000000,  0.750000000000000,  0.894903530000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.495385950000000,  0.750000000000000,  0.345112770000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.265799910000000,  0.250000000000000,  0.381795650000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.256039460000000,  0.250000000000000,  0.729408800000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.276208870000000,  0.750000000000000,  0.539359020000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.223791130000000,  0.250000000000000,  0.039359020000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.243960540000000,  0.750000000000000,  0.229408800000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.234200090000000,  0.750000000000000,  0.881795650000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.004614050000000,  0.250000000000000,  0.845112770000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.992087210000000,  0.250000000000000,  0.394903530000000 ]    mass: 15.999400    reduced_to: 32supercell:  lattice:  - [    10.073392060000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.870270170000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.899578610000001 ] # c  points:  - symbol: Tm # 1    coordinates: [  0.888158150000000,  0.250000000000000,  0.778406310000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 2    coordinates: [  0.888158150000000,  0.583333333333333,  0.778406310000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 3    coordinates: [  0.888158150000000,  0.916666666666667,  0.778406310000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 4    coordinates: [  0.864461480000000,  0.250000000000000,  0.444724860000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 5    coordinates: [  0.864461480000000,  0.583333333333333,  0.444724860000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 6    coordinates: [  0.864461480000000,  0.916666666666667,  0.444724860000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 7    coordinates: [  0.635538520000000,  0.083333333333333,  0.944724860000000 ]    mass: 168.934210    reduced_to: 7  - symbol: Tm # 8    coordinates: [  0.635538520000000,  0.416666666666667,  0.944724860000000 ]    mass: 168.934210    reduced_to: 7  - symbol: Tm # 9    coordinates: [  0.635538520000000,  0.750000000000000,  0.944724860000000 ]    mass: 168.934210    reduced_to: 7  - symbol: Tm # 10    coordinates: [  0.611841850000000,  0.083333333333333,  0.278406310000000 ]    mass: 168.934210    reduced_to: 10  - symbol: Tm # 11    coordinates: [  0.611841850000000,  0.416666666666667,  0.278406310000000 ]    mass: 168.934210    reduced_to: 10  - symbol: Tm # 12    coordinates: [  0.611841850000000,  0.750000000000000,  0.278406310000000 ]    mass: 168.934210    reduced_to: 10  - symbol: Tm # 13    coordinates: [  0.388158150000000,  0.250000000000000,  0.721593690000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 14    coordinates: [  0.388158150000000,  0.583333333333333,  0.721593690000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 15    coordinates: [  0.388158150000000,  0.916666666666667,  0.721593690000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 16    coordinates: [  0.364461480000000,  0.250000000000000,  0.055275140000000 ]    mass: 168.934210    reduced_to: 16  - symbol: Tm # 17    coordinates: [  0.364461480000000,  0.583333333333333,  0.055275140000000 ]    mass: 168.934210    reduced_to: 16  - symbol: Tm # 18    coordinates: [  0.364461480000000,  0.916666666666667,  0.055275140000000 ]    mass: 168.934210    reduced_to: 16  - symbol: Tm # 19    coordinates: [  0.135538520000000,  0.083333333333333,  0.555275140000000 ]    mass: 168.934210    reduced_to: 19  - symbol: Tm # 20    coordinates: [  0.135538520000000,  0.416666666666667,  0.555275140000000 ]    mass: 168.934210    reduced_to: 19  - symbol: Tm # 21    coordinates: [  0.135538520000000,  0.750000000000000,  0.555275140000000 ]    mass: 168.934210    reduced_to: 19  - symbol: Tm # 22    coordinates: [  0.111841850000000,  0.083333333333333,  0.221593690000000 ]    mass: 168.934210    reduced_to: 22  - symbol: Tm # 23    coordinates: [  0.111841850000000,  0.416666666666667,  0.221593690000000 ]    mass: 168.934210    reduced_to: 22  - symbol: Tm # 24    coordinates: [  0.111841850000000,  0.750000000000000,  0.221593690000000 ]    mass: 168.934210    reduced_to: 22  - symbol: Ge # 25    coordinates: [  0.826214850000000,  0.250000000000000,  0.120445970000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.826214850000000,  0.583333333333333,  0.120445970000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 27    coordinates: [  0.826214850000000,  0.916666666666667,  0.120445970000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 28    coordinates: [  0.673785150000000,  0.083333333333333,  0.620445970000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.673785150000000,  0.416666666666667,  0.620445970000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 30    coordinates: [  0.673785150000000,  0.750000000000000,  0.620445970000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 31    coordinates: [  0.326214850000000,  0.250000000000000,  0.379554030000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.326214850000000,  0.583333333333333,  0.379554030000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 33    coordinates: [  0.326214850000000,  0.916666666666667,  0.379554030000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 34    coordinates: [  0.173785150000000,  0.083333333333333,  0.879554030000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.173785150000000,  0.416666666666667,  0.879554030000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 36    coordinates: [  0.173785150000000,  0.750000000000000,  0.879554030000000 ]    mass: 72.640000    reduced_to: 34  - symbol: O  # 37    coordinates: [  0.007912790000000,  0.250000000000000,  0.605096470000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.007912790000000,  0.583333333333333,  0.605096470000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.007912790000000,  0.916666666666667,  0.605096470000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.995385950000000,  0.250000000000000,  0.154887230000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.995385950000000,  0.583333333333333,  0.154887230000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.995385950000000,  0.916666666666667,  0.154887230000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.765799910000000,  0.083333333333333,  0.118204350000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.765799910000000,  0.416666666666667,  0.118204350000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.765799910000000,  0.750000000000000,  0.118204350000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.756039460000000,  0.083333333333333,  0.770591200000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.756039460000000,  0.416666666666667,  0.770591200000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.756039460000000,  0.750000000000000,  0.770591200000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.776208870000000,  0.250000000000000,  0.960640980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.776208870000000,  0.583333333333333,  0.960640980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.776208870000000,  0.916666666666667,  0.960640980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.723791130000000,  0.083333333333333,  0.460640980000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.723791130000000,  0.416666666666667,  0.460640980000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.723791130000000,  0.750000000000000,  0.460640980000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.743960540000000,  0.250000000000000,  0.270591200000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.743960540000000,  0.583333333333333,  0.270591200000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.743960540000000,  0.916666666666667,  0.270591200000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.734200090000000,  0.250000000000000,  0.618204350000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.734200090000000,  0.583333333333333,  0.618204350000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.734200090000000,  0.916666666666667,  0.618204350000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.504614050000000,  0.083333333333333,  0.654887230000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.504614050000000,  0.416666666666667,  0.654887230000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.504614050000000,  0.750000000000000,  0.654887230000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.492087210000000,  0.083333333333333,  0.105096470000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.492087210000000,  0.416666666666667,  0.105096470000000 ]    mass: 15.999400    reduced_to: 64  - 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