# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/230604a9-1375-4b34-9dbd-73841c060529/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 In7GeIrO8 / F-43m (216) / materials id 558992](https://mdr.nims.go.jp/datasets/de413370-714d-40de-a3d4-ee36c4a502c5)

## 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: "F-43m"  number: 216  Hall_symbol: "F -4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     5.077880455000000,     5.077880455000000 ] # a  - [     5.077880455000000,     0.000000000000000,     5.077880455000000 ] # b  - [     5.077880455000000,     5.077880455000000,     0.000000000000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.250187230000000,  0.250187230000000,  0.749812770000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.749812770000000,  0.749812770000000,  0.250187230000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.250187230000000,  0.749812770000000,  0.250187230000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.250187230000000,  0.749812770000000,  0.749812770000000 ]    mass: 114.818000  - symbol: In # 5    coordinates: [  0.749812770000000,  0.250187230000000,  0.749812770000000 ]    mass: 114.818000  - symbol: In # 6    coordinates: [  0.749812770000000,  0.250187230000000,  0.250187230000000 ]    mass: 114.818000  - symbol: In # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000  - symbol: Ge # 8    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ir # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 192.217000  - symbol: O  # 10    coordinates: [  0.351655070000000,  0.351655070000000,  0.945034790000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.629395930000000,  0.111812210000000,  0.629395930000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.945034790000000,  0.351655070000000,  0.351655070000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.629395930000000,  0.629395930000000,  0.111812210000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.351655070000000,  0.945034790000000,  0.351655070000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.111812210000000,  0.629395930000000,  0.629395930000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.351655070000000,  0.351655070000000,  0.351655070000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.629395930000000,  0.629395930000000,  0.629395930000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [    -0.098466280258266,     0.098466280258266,     0.098466280258266 ] # a*  - [     0.098466280258266,    -0.098466280258266,     0.098466280258266 ] # b*  - [     0.098466280258266,     0.098466280258266,    -0.098466280258266 ] # c*unit_cell:  lattice:  - [    10.155760910000000,     0.000000000000000,    -0.000000000000000 ] # a  - [     0.000000000000000,    10.155760910000000,     0.000000000000000 ] # b  - [    -0.000000000000000,     0.000000000000000,    10.155760910000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.750187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.249812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.000000000000000,  0.250187230000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.749812770000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.500000000000000,  0.249812770000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.250187230000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.250187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.749812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 10    coordinates: [  0.000000000000000,  0.750187230000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 11    coordinates: [  0.749812770000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 12    coordinates: [  0.500000000000000,  0.749812770000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 13    coordinates: [  0.250187230000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.250187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.749812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 17    coordinates: [  0.500000000000000,  0.250187230000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 18    coordinates: [  0.249812770000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 19    coordinates: [  0.000000000000000,  0.249812770000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 20    coordinates: [  0.750187230000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 21    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.750187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.249812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 24    coordinates: [  0.500000000000000,  0.750187230000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 25    coordinates: [  0.249812770000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 26    coordinates: [  0.000000000000000,  0.749812770000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 27    coordinates: [  0.750187230000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: Ge # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 31    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ir # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 192.217000    reduced_to: 33  - symbol: Ir # 34    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 192.217000    reduced_to: 33  - symbol: Ir # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 192.217000    reduced_to: 33  - symbol: Ir # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 192.217000    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.648344930000000,  0.148344930000000,  0.851655070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.370604070000000,  0.129395930000000,  0.870604070000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.351655070000000,  0.148344930000000,  0.148344930000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.870604070000000,  0.370604070000000,  0.129395930000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.148344930000000,  0.351655070000000,  0.148344930000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.129395930000000,  0.370604070000000,  0.870604070000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.851655070000000,  0.351655070000000,  0.851655070000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.629395930000000,  0.129395930000000,  0.129395930000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.648344930000000,  0.648344930000000,  0.351655070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 46    coordinates: [  0.370604070000000,  0.629395930000000,  0.370604070000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 47    coordinates: [  0.351655070000000,  0.648344930000000,  0.648344930000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 48    coordinates: [  0.870604070000000,  0.870604070000000,  0.629395930000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 49    coordinates: [  0.148344930000000,  0.851655070000000,  0.648344930000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 50    coordinates: [  0.129395930000000,  0.870604070000000,  0.370604070000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 51    coordinates: [  0.851655070000000,  0.851655070000000,  0.351655070000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 52    coordinates: [  0.629395930000000,  0.629395930000000,  0.629395930000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 53    coordinates: [  0.148344930000000,  0.148344930000000,  0.351655070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 54    coordinates: [  0.870604070000000,  0.129395930000000,  0.370604070000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 55    coordinates: [  0.851655070000000,  0.148344930000000,  0.648344930000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 56    coordinates: [  0.370604070000000,  0.370604070000000,  0.629395930000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 57    coordinates: [  0.648344930000000,  0.351655070000000,  0.648344930000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 58    coordinates: [  0.629395930000000,  0.370604070000000,  0.370604070000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 59    coordinates: [  0.351655070000000,  0.351655070000000,  0.351655070000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 60    coordinates: [  0.129395930000000,  0.129395930000000,  0.629395930000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 61    coordinates: [  0.148344930000000,  0.648344930000000,  0.851655070000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.870604070000000,  0.629395930000000,  0.870604070000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.851655070000000,  0.648344930000000,  0.148344930000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.370604070000000,  0.870604070000000,  0.129395930000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.648344930000000,  0.851655070000000,  0.148344930000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.629395930000000,  0.870604070000000,  0.870604070000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.351655070000000,  0.851655070000000,  0.851655070000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.129395930000000,  0.629395930000000,  0.129395930000000 ]    mass: 15.999400    reduced_to: 44supercell:  lattice:  - [    10.155760910000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.155760910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.155760910000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.750187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.249812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.000000000000000,  0.250187230000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.749812770000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.500000000000000,  0.249812770000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.250187230000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.250187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.749812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 10    coordinates: [  0.000000000000000,  0.750187230000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 11    coordinates: [  0.749812770000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 12    coordinates: [  0.500000000000000,  0.749812770000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 13    coordinates: [  0.250187230000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.250187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.749812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 17    coordinates: [  0.500000000000000,  0.250187230000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 18    coordinates: [  0.249812770000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 19    coordinates: [  0.000000000000000,  0.249812770000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 20    coordinates: [  0.750187230000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 21    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.750187230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.249812770000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 24    coordinates: [  0.500000000000000,  0.750187230000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 25    coordinates: [  0.249812770000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 4  - 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