# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/61f9ff6d-e43b-42ad-bdb7-97f40fc5437c/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 InOF / Fddd (70) / materials id 27175](https://mdr.nims.go.jp/datasets/f947250b-61c1-43dd-aac2-c38d66414e7d)

## 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: "Fddd"  number: 70  Hall_symbol: "F 2 2 -1d"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     4.210549695000000,     5.119351460000000 ] # a  - [     3.528375915000000,     0.000000000000000,     5.119351460000000 ] # b  - [     3.528375915000000,     4.210549695000000,     0.000000000000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.136423540000000,  0.136423540000000,  0.863576460000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.386423540000000,  0.386423540000000,  0.113576460000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.113576460000000,  0.113576460000000,  0.386423540000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.863576460000000,  0.863576460000000,  0.136423540000000 ]    mass: 15.999400  - symbol: F  # 5    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403  - symbol: In # 9    coordinates: [  0.200240240000000,  0.799759760000000,  0.200240240000000 ]    mass: 114.818000  - symbol: In # 10    coordinates: [  0.799759760000000,  0.200240240000000,  0.799759760000000 ]    mass: 114.818000  - symbol: In # 11    coordinates: [  0.049759760000000,  0.450240240000000,  0.049759760000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.450240240000000,  0.049759760000000,  0.450240240000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [    -0.141708256729215,     0.118749340636864,     0.097668621485894 ] # a*  - [     0.141708256729215,    -0.118749340636864,     0.097668621485894 ] # b*  - [     0.141708256729215,     0.118749340636864,    -0.097668621485894 ] # c*unit_cell:  lattice:  - [     7.056751830000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.421099390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.238702920000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.636423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.386423540000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.613576460000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.863576460000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.136423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.886423540000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.113576460000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.363576460000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.136423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.250000000000000,  0.750000000000000,  0.886423540000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 11    coordinates: [  0.250000000000000,  0.250000000000000,  0.113576460000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.500000000000000,  0.363576460000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.636423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.250000000000000,  0.250000000000000,  0.386423540000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.250000000000000,  0.750000000000000,  0.613576460000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.863576460000000 ]    mass: 15.999400    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 22    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 23    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 24    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 25    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 26    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 27    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 28    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 29    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 30    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 31    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 32    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: In # 33    coordinates: [  0.500000000000000,  0.200240240000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 34    coordinates: [  0.000000000000000,  0.299759760000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 34  - symbol: In # 35    coordinates: [  0.750000000000000,  0.049759760000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 35  - symbol: In # 36    coordinates: [  0.250000000000000,  0.950240240000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 36  - symbol: In # 37    coordinates: [  0.500000000000000,  0.700240240000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 38    coordinates: [  0.000000000000000,  0.799759760000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 34  - symbol: In # 39    coordinates: [  0.750000000000000,  0.549759760000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 35  - symbol: In # 40    coordinates: [  0.250000000000000,  0.450240240000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 36  - symbol: In # 41    coordinates: [  0.000000000000000,  0.200240240000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 42    coordinates: [  0.500000000000000,  0.299759760000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 34  - symbol: In # 43    coordinates: [  0.250000000000000,  0.049759760000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 35  - symbol: In # 44    coordinates: [  0.750000000000000,  0.950240240000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 36  - symbol: In # 45    coordinates: [  0.000000000000000,  0.700240240000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 46    coordinates: [  0.500000000000000,  0.799759760000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 34  - symbol: In # 47    coordinates: [  0.250000000000000,  0.549759760000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 35  - symbol: In # 48    coordinates: [  0.750000000000000,  0.450240240000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 36supercell:  lattice:  - [    14.113503659999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.421099390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.238702920000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.250000000000000,  0.000000000000000,  0.636423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.750000000000000,  0.000000000000000,  0.636423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.375000000000000,  0.750000000000000,  0.386423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.875000000000000,  0.750000000000000,  0.386423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 5    coordinates: [  0.375000000000000,  0.250000000000000,  0.613576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.875000000000000,  0.250000000000000,  0.613576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.250000000000000,  0.500000000000000,  0.863576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.500000000000000,  0.863576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.250000000000000,  0.500000000000000,  0.136423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.750000000000000,  0.500000000000000,  0.136423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.375000000000000,  0.250000000000000,  0.886423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 12    coordinates: [  0.875000000000000,  0.250000000000000,  0.886423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 13    coordinates: [  0.375000000000000,  0.750000000000000,  0.113576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 14    coordinates: [  0.875000000000000,  0.750000000000000,  0.113576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 15    coordinates: [  0.250000000000000,  0.000000000000000,  0.363576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 16    coordinates: [  0.750000000000000,  0.000000000000000,  0.363576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.136423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.136423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.125000000000000,  0.750000000000000,  0.886423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 20    coordinates: [  0.625000000000000,  0.750000000000000,  0.886423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 21    coordinates: [  0.125000000000000,  0.250000000000000,  0.113576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.625000000000000,  0.250000000000000,  0.113576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.363576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.363576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.636423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.500000000000000,  0.636423540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.125000000000000,  0.250000000000000,  0.386423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.625000000000000,  0.250000000000000,  0.386423540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 29    coordinates: [  0.125000000000000,  0.750000000000000,  0.613576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.625000000000000,  0.750000000000000,  0.613576460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.000000000000000,  0.863576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.000000000000000,  0.863576460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: F  # 33    coordinates: [  0.187500000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.687500000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.312500000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 36    coordinates: [  0.812500000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 37    coordinates: [  0.062500000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.562500000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 39    coordinates: [  0.187500000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 40    coordinates: [  0.687500000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 41    coordinates: [  0.187500000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 42    coordinates: [  0.687500000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 43    coordinates: [  0.312500000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 44    coordinates: [  0.812500000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 45    coordinates: [  0.062500000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 46    coordinates: [  0.562500000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 47    coordinates: [  0.187500000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 48    coordinates: [  0.687500000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 49    coordinates: [  0.437500000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 50    coordinates: [  0.937500000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 51    coordinates: [  0.062500000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 52    coordinates: [  0.562500000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 53    coordinates: [  0.312500000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 54    coordinates: [  0.812500000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 55    coordinates: [  0.437500000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 56    coordinates: [  0.937500000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 57    coordinates: [  0.437500000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 58    coordinates: [  0.937500000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 59    coordinates: [  0.062500000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 60    coordinates: [  0.562500000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 61    coordinates: [  0.312500000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 62    coordinates: [  0.812500000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 63    coordinates: [  0.437500000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 64    coordinates: [  0.937500000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 39  - symbol: In # 65    coordinates: [  0.250000000000000,  0.200240240000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 65  - symbol: In # 66    coordinates: [  0.750000000000000,  0.200240240000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 65  - symbol: In # 67    coordinates: [  0.000000000000000,  0.299759760000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 67  - symbol: In # 68    coordinates: [  0.500000000000000,  0.299759760000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 67  - symbol: In # 69    coordinates: [  0.375000000000000,  0.049759760000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 69  - symbol: In # 70    coordinates: [  0.875000000000000,  0.049759760000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 69  - symbol: In # 71    coordinates: [  0.125000000000000,  0.950240240000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 71  - symbol: In # 72    coordinates: [  0.625000000000000,  0.950240240000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 71  - symbol: In # 73    coordinates: [  0.250000000000000,  0.700240240000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 65  - 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