# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b43bcf77-417f-4c0b-b9d7-90e18707c133/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 Lu2GeO5 / Pnma (62) / materials id 768865](https://mdr.nims.go.jp/datasets/8241cf0b-4095-415f-811e-a6b3b3d16d10)

## 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:  - [     9.986890689999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.587776130000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.844554230000000 ] # c  points:  - symbol: Lu # 1    coordinates: [  0.885962770000000,  0.250000000000000,  0.777981990000000 ]    mass: 174.966800  - symbol: Lu # 2    coordinates: [  0.864889000000000,  0.250000000000000,  0.444596310000000 ]    mass: 174.966800  - symbol: Lu # 3    coordinates: [  0.635111000000000,  0.750000000000000,  0.944596310000000 ]    mass: 174.966800  - symbol: Lu # 4    coordinates: [  0.614037230000000,  0.750000000000000,  0.277981990000000 ]    mass: 174.966800  - symbol: Lu # 5    coordinates: [  0.385962770000000,  0.250000000000000,  0.722018010000000 ]    mass: 174.966800  - symbol: Lu # 6    coordinates: [  0.364889000000000,  0.250000000000000,  0.055403690000000 ]    mass: 174.966800  - symbol: Lu # 7    coordinates: [  0.135111000000000,  0.750000000000000,  0.555403690000000 ]    mass: 174.966800  - symbol: Lu # 8    coordinates: [  0.114037230000000,  0.750000000000000,  0.222018010000000 ]    mass: 174.966800  - symbol: Ge # 9    coordinates: [  0.827957730000000,  0.250000000000000,  0.119462180000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.672042270000000,  0.750000000000000,  0.619462180000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.327957730000000,  0.250000000000000,  0.380537820000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.172042270000000,  0.750000000000000,  0.880537820000000 ]    mass: 72.640000  - symbol: O  # 13    coordinates: [  0.007155660000000,  0.250000000000000,  0.605513320000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.998530110000000,  0.250000000000000,  0.153891760000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.765610660000000,  0.750000000000000,  0.117257010000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.753947060000000,  0.750000000000000,  0.770982720000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.775594330000000,  0.250000000000000,  0.959222420000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.724405670000000,  0.750000000000000,  0.459222420000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.746052940000000,  0.250000000000000,  0.270982720000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.734389340000000,  0.250000000000000,  0.617257010000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.501469890000000,  0.750000000000000,  0.653891760000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.492844340000000,  0.750000000000000,  0.105513320000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.507155660000000,  0.250000000000000,  0.894486680000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.498530110000000,  0.250000000000000,  0.346108240000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.265610660000000,  0.750000000000000,  0.382742990000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.253947060000000,  0.750000000000000,  0.729017280000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.275594330000000,  0.250000000000000,  0.540777580000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.224405670000000,  0.750000000000000,  0.040777580000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.246052940000000,  0.250000000000000,  0.229017280000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.234389340000000,  0.250000000000000,  0.882742990000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.001469890000000,  0.750000000000000,  0.846108240000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.992844340000000,  0.750000000000000,  0.394486680000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.100131265179593,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.278724191188596,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.092212181228587 ] # c*unit_cell:  lattice:  - [     9.986890689999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.587776130000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.844554230000000 ] # c  points:  - symbol: Lu # 1    coordinates: [  0.885962770000000,  0.250000000000000,  0.777981990000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 2    coordinates: [  0.864889000000000,  0.250000000000000,  0.444596310000000 ]    mass: 174.966800    reduced_to: 2  - symbol: Lu # 3    coordinates: [  0.635111000000000,  0.750000000000000,  0.944596310000000 ]    mass: 174.966800    reduced_to: 3  - symbol: Lu # 4    coordinates: [  0.614037230000000,  0.750000000000000,  0.277981990000000 ]    mass: 174.966800    reduced_to: 4  - symbol: Lu # 5    coordinates: [  0.385962770000000,  0.250000000000000,  0.722018010000000 ]    mass: 174.966800    reduced_to: 5  - symbol: Lu # 6    coordinates: [  0.364889000000000,  0.250000000000000,  0.055403690000000 ]    mass: 174.966800    reduced_to: 6  - symbol: Lu # 7    coordinates: [  0.135111000000000,  0.750000000000000,  0.555403690000000 ]    mass: 174.966800    reduced_to: 7  - symbol: Lu # 8    coordinates: [  0.114037230000000,  0.750000000000000,  0.222018010000000 ]    mass: 174.966800    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.827957730000000,  0.250000000000000,  0.119462180000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.672042270000000,  0.750000000000000,  0.619462180000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.327957730000000,  0.250000000000000,  0.380537820000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.172042270000000,  0.750000000000000,  0.880537820000000 ]    mass: 72.640000    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.007155660000000,  0.250000000000000,  0.605513320000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.998530110000000,  0.250000000000000,  0.153891760000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.765610660000000,  0.750000000000000,  0.117257010000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.753947060000000,  0.750000000000000,  0.770982720000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.775594330000000,  0.250000000000000,  0.959222420000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.724405670000000,  0.750000000000000,  0.459222420000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.746052940000000,  0.250000000000000,  0.270982720000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.734389340000000,  0.250000000000000,  0.617257010000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.501469890000000,  0.750000000000000,  0.653891760000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.492844340000000,  0.750000000000000,  0.105513320000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.507155660000000,  0.250000000000000,  0.894486680000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.498530110000000,  0.250000000000000,  0.346108240000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.265610660000000,  0.750000000000000,  0.382742990000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.253947060000000,  0.750000000000000,  0.729017280000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.275594330000000,  0.250000000000000,  0.540777580000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.224405670000000,  0.750000000000000,  0.040777580000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.246052940000000,  0.250000000000000,  0.229017280000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.234389340000000,  0.250000000000000,  0.882742990000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.001469890000000,  0.750000000000000,  0.846108240000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.992844340000000,  0.750000000000000,  0.394486680000000 ]    mass: 15.999400    reduced_to: 32supercell:  lattice:  - [     9.986890689999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.763328390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.844554230000000 ] # c  points:  - symbol: Lu # 1    coordinates: [  0.885962770000000,  0.083333333333333,  0.777981990000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 2    coordinates: [  0.885962770000000,  0.416666666666667,  0.777981990000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 3    coordinates: [  0.885962770000000,  0.750000000000000,  0.777981990000000 ]    mass: 174.966800    reduced_to: 1  - symbol: Lu # 4    coordinates: [  0.864889000000000,  0.083333333333333,  0.444596310000000 ]    mass: 174.966800    reduced_to: 4  - symbol: Lu # 5    coordinates: [  0.864889000000000,  0.416666666666667,  0.444596310000000 ]    mass: 174.966800    reduced_to: 4  - symbol: Lu # 6    coordinates: [  0.864889000000000,  0.750000000000000,  0.444596310000000 ]    mass: 174.966800    reduced_to: 4  - symbol: Lu # 7    coordinates: [  0.635111000000000,  0.250000000000000,  0.944596310000000 ]    mass: 174.966800    reduced_to: 7  - symbol: Lu # 8    coordinates: [  0.635111000000000,  0.583333333333333,  0.944596310000000 ]    mass: 174.966800    reduced_to: 7  - symbol: Lu # 9    coordinates: [  0.635111000000000,  0.916666666666667,  0.944596310000000 ]    mass: 174.966800    reduced_to: 7  - symbol: Lu # 10    coordinates: [  0.614037230000000,  0.250000000000000,  0.277981990000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 11    coordinates: [  0.614037230000000,  0.583333333333333,  0.277981990000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 12    coordinates: [  0.614037230000000,  0.916666666666667,  0.277981990000000 ]    mass: 174.966800    reduced_to: 10  - symbol: Lu # 13    coordinates: [  0.385962770000000,  0.083333333333333,  0.722018010000000 ]    mass: 174.966800    reduced_to: 13  - symbol: Lu # 14    coordinates: [  0.385962770000000,  0.416666666666667,  0.722018010000000 ]    mass: 174.966800    reduced_to: 13  - symbol: Lu # 15    coordinates: [  0.385962770000000,  0.750000000000000,  0.722018010000000 ]    mass: 174.966800    reduced_to: 13  - symbol: Lu # 16    coordinates: [  0.364889000000000,  0.083333333333333,  0.055403690000000 ]    mass: 174.966800    reduced_to: 16  - symbol: Lu # 17    coordinates: [  0.364889000000000,  0.416666666666667,  0.055403690000000 ]    mass: 174.966800    reduced_to: 16  - symbol: Lu # 18    coordinates: [  0.364889000000000,  0.750000000000000,  0.055403690000000 ]    mass: 174.966800    reduced_to: 16  - symbol: Lu # 19    coordinates: [  0.135111000000000,  0.250000000000000,  0.555403690000000 ]    mass: 174.966800    reduced_to: 19  - symbol: Lu # 20    coordinates: [  0.135111000000000,  0.583333333333333,  0.555403690000000 ]    mass: 174.966800    reduced_to: 19  - symbol: Lu # 21    coordinates: [  0.135111000000000,  0.916666666666667,  0.555403690000000 ]    mass: 174.966800    reduced_to: 19  - symbol: Lu # 22    coordinates: [  0.114037230000000,  0.250000000000000,  0.222018010000000 ]    mass: 174.966800    reduced_to: 22  - symbol: Lu # 23    coordinates: [  0.114037230000000,  0.583333333333333,  0.222018010000000 ]    mass: 174.966800    reduced_to: 22  - symbol: Lu # 24    coordinates: [  0.114037230000000,  0.916666666666667,  0.222018010000000 ]    mass: 174.966800    reduced_to: 22  - symbol: Ge # 25    coordinates: [  0.827957730000000,  0.083333333333333,  0.119462180000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.827957730000000,  0.416666666666667,  0.119462180000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 27    coordinates: [  0.827957730000000,  0.750000000000000,  0.119462180000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 28    coordinates: [  0.672042270000000,  0.250000000000000,  0.619462180000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.672042270000000,  0.583333333333333,  0.619462180000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 30    coordinates: [  0.672042270000000,  0.916666666666667,  0.619462180000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 31    coordinates: [  0.327957730000000,  0.083333333333333,  0.380537820000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.327957730000000,  0.416666666666667,  0.380537820000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 33    coordinates: [  0.327957730000000,  0.750000000000000,  0.380537820000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 34    coordinates: [  0.172042270000000,  0.250000000000000,  0.880537820000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.172042270000000,  0.583333333333333,  0.880537820000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 36    coordinates: [  0.172042270000000,  0.916666666666667,  0.880537820000000 ]    mass: 72.640000    reduced_to: 34  - symbol: O  # 37    coordinates: [  0.007155660000000,  0.083333333333333,  0.605513320000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.007155660000000,  0.416666666666667,  0.605513320000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.007155660000000,  0.750000000000000,  0.605513320000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.998530110000000,  0.083333333333333,  0.153891760000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.998530110000000,  0.416666666666667,  0.153891760000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.998530110000000,  0.750000000000000,  0.153891760000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.765610660000000,  0.250000000000000,  0.117257010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.765610660000000,  0.583333333333333,  0.117257010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.765610660000000,  0.916666666666667,  0.117257010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.753947060000000,  0.250000000000000,  0.770982720000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.753947060000000,  0.583333333333333,  0.770982720000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.753947060000000,  0.916666666666667,  0.770982720000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.775594330000000,  0.083333333333333,  0.959222420000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.775594330000000,  0.416666666666667,  0.959222420000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.775594330000000,  0.750000000000000,  0.959222420000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.724405670000000,  0.250000000000000,  0.459222420000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.724405670000000,  0.583333333333333,  0.459222420000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.724405670000000,  0.916666666666667,  0.459222420000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.746052940000000,  0.083333333333333,  0.270982720000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.746052940000000,  0.416666666666667,  0.270982720000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.746052940000000,  0.750000000000000,  0.270982720000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.734389340000000,  0.083333333333333,  0.617257010000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.734389340000000,  0.416666666666667,  0.617257010000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.734389340000000,  0.750000000000000,  0.617257010000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.501469890000000,  0.250000000000000,  0.653891760000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.501469890000000,  0.583333333333333,  0.653891760000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.501469890000000,  0.916666666666667,  0.653891760000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.492844340000000,  0.250000000000000,  0.105513320000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.492844340000000,  0.583333333333333,  0.105513320000000 ]    mass: 15.999400    reduced_to: 64  - 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