# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a4edb674-0eed-4727-8151-4ce7badb0819/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 LiRhO2 / Fd-3m (227) / materials id 14476](https://mdr.nims.go.jp/datasets/aca0c1cd-68d4-42b5-9d44-5dfc0b7ec610)

## 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: "Fd-3m"  number: 227  Hall_symbol: "F 4d 2 3 -1d"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,     4.227463420000000,     4.227463420000000 ] # a  - [     4.227463420000000,     0.000000000000000,     4.227463420000000 ] # b  - [     4.227463420000000,     4.227463420000000,     0.000000000000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000  - symbol: O  # 5    coordinates: [  0.382861340000000,  0.382861340000000,  0.382861340000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.867138660000000,  0.867138660000000,  0.398584020000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.382861340000000,  0.851415980000000,  0.382861340000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.851415980000000,  0.382861340000000,  0.382861340000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.382861340000000,  0.382861340000000,  0.851415980000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.398584020000000,  0.867138660000000,  0.867138660000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.867138660000000,  0.867138660000000,  0.867138660000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.867138660000000,  0.398584020000000,  0.867138660000000 ]    mass: 15.999400  - symbol: Rh # 13    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 102.905500  - symbol: Rh # 14    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 102.905500  - symbol: Rh # 15    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 102.905500  - symbol: Rh # 16    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 102.905500  reciprocal_lattice: # without 2pi  - [    -0.118274234529036,     0.118274234529036,     0.118274234529036 ] # a*  - [     0.118274234529036,    -0.118274234529036,     0.118274234529036 ] # b*  - [     0.118274234529036,     0.118274234529036,    -0.118274234529036 ] # c*unit_cell:  lattice:  - [     8.454926840000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.454926840000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.454926840000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 7    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 8    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 9    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 11    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 12    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 13    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 15    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 16    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.882861340000000,  0.382861340000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.632861340000000,  0.632861340000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.617138660000000,  0.382861340000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.882861340000000,  0.117138660000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.117138660000000,  0.117138660000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.867138660000000,  0.632861340000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.867138660000000,  0.367138660000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.132861340000000,  0.367138660000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.882861340000000,  0.882861340000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 26    coordinates: [  0.632861340000000,  0.132861340000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 27    coordinates: [  0.617138660000000,  0.882861340000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 28    coordinates: [  0.882861340000000,  0.617138660000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 29    coordinates: [  0.117138660000000,  0.617138660000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 30    coordinates: [  0.867138660000000,  0.132861340000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 31    coordinates: [  0.867138660000000,  0.867138660000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 32    coordinates: [  0.132861340000000,  0.867138660000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 33    coordinates: [  0.382861340000000,  0.382861340000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 34    coordinates: [  0.132861340000000,  0.632861340000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 35    coordinates: [  0.117138660000000,  0.382861340000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 36    coordinates: [  0.382861340000000,  0.117138660000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 37    coordinates: [  0.617138660000000,  0.117138660000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 38    coordinates: [  0.367138660000000,  0.632861340000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 39    coordinates: [  0.367138660000000,  0.367138660000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 40    coordinates: [  0.632861340000000,  0.367138660000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 41    coordinates: [  0.382861340000000,  0.882861340000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.132861340000000,  0.132861340000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 43    coordinates: [  0.117138660000000,  0.882861340000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 44    coordinates: [  0.382861340000000,  0.617138660000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 45    coordinates: [  0.617138660000000,  0.617138660000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.367138660000000,  0.132861340000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 47    coordinates: [  0.367138660000000,  0.867138660000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 48    coordinates: [  0.632861340000000,  0.867138660000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: Rh # 49    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 50    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 51    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 52    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 52  - symbol: Rh # 53    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 54    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 55    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 56    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 52  - symbol: Rh # 57    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 58    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 59    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 60    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 52  - symbol: Rh # 61    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 62    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 63    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 52supercell:  lattice:  - [     8.454926840000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.454926840000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.454926840000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 7    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 8    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 9    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 11    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 12    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 13    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 15    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 16    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.882861340000000,  0.382861340000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.632861340000000,  0.632861340000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.617138660000000,  0.382861340000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.882861340000000,  0.117138660000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.117138660000000,  0.117138660000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.867138660000000,  0.632861340000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.867138660000000,  0.367138660000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.132861340000000,  0.367138660000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.882861340000000,  0.882861340000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 26    coordinates: [  0.632861340000000,  0.132861340000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 27    coordinates: [  0.617138660000000,  0.882861340000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 28    coordinates: [  0.882861340000000,  0.617138660000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 29    coordinates: [  0.117138660000000,  0.617138660000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 30    coordinates: [  0.867138660000000,  0.132861340000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 31    coordinates: [  0.867138660000000,  0.867138660000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 32    coordinates: [  0.132861340000000,  0.867138660000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 33    coordinates: [  0.382861340000000,  0.382861340000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 34    coordinates: [  0.132861340000000,  0.632861340000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 35    coordinates: [  0.117138660000000,  0.382861340000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 36    coordinates: [  0.382861340000000,  0.117138660000000,  0.117138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 37    coordinates: [  0.617138660000000,  0.117138660000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 38    coordinates: [  0.367138660000000,  0.632861340000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 39    coordinates: [  0.367138660000000,  0.367138660000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 40    coordinates: [  0.632861340000000,  0.367138660000000,  0.132861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 41    coordinates: [  0.382861340000000,  0.882861340000000,  0.882861340000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.132861340000000,  0.132861340000000,  0.867138660000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 43    coordinates: [  0.117138660000000,  0.882861340000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 44    coordinates: [  0.382861340000000,  0.617138660000000,  0.617138660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 45    coordinates: [  0.617138660000000,  0.617138660000000,  0.382861340000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.367138660000000,  0.132861340000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 47    coordinates: [  0.367138660000000,  0.867138660000000,  0.367138660000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 48    coordinates: [  0.632861340000000,  0.867138660000000,  0.632861340000000 ]    mass: 15.999400    reduced_to: 24  - symbol: Rh # 49    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 50    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 51    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 52    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 52  - symbol: Rh # 53    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 54    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 55    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 56    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 52  - symbol: Rh # 57    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 58    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 59    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 60    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 102.905500    reduced_to: 52  - symbol: Rh # 61    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 62    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 50  - symbol: Rh # 63    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 102.905500    reduced_to: 51  - symbol: Rh # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 102.905500    reduced_to: 52displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0167543900000000, -0.0013504200000000, -0.0013504200000000 ]  - [   0.0017566500000000, -0.0025757800000000,  0.0001114200000000 ]  - [  -0.0009083100000000, -0.0001186600000000, -0.0001186600000000 ]  - [   0.0017630300000000,  0.0001132200000000, -0.0026074800000000 ]  - [  -0.0001277400000000, -0.0000177100000000, -0.0000177100000000 ]  - [  -0.0000203500000000,  0.0001194500000000,  0.0000681600000000 ]  - [  -0.0009097300000000, -0.0001042400000000, -0.0001042400000000 ]  - 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