# Fileset

[phono3py_params.yaml.xz](https://mdr.nims.go.jp/filesets/f3e381f4-8dc7-4e2b-84d6-0bdf8252d278/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

[Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbCl](https://mdr.nims.go.jp/datasets/bce43eed-1c25-4b0e-a93b-9f93342f238d)

## Fulltext

phono3py:  version: 2.3.0  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652physical_unit:  atomic_mass: "AMU"space_group:  type: "Fm-3m"  number: 225  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:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     3.289618801174412,     3.289618801174412 ] # a  - [     3.289618801174412,     0.000000000000000,     3.289618801174412 ] # b  - [     3.289618801174412,     3.289618801174412,     0.000000000000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Cl # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000  reciprocal_lattice: # without 2pi  - [    -0.151993294731139,     0.151993294731139,     0.151993294731139 ] # a*  - [     0.151993294731139,    -0.151993294731139,     0.151993294731139 ] # b*  - [     0.151993294731139,     0.151993294731139,    -0.151993294731139 ] # c*unit_cell:  lattice:  - [     6.579237602348823,    -0.000000000000000,     0.000000000000000 ] # a  - [    -0.000000000000000,     6.579237602348823,     0.000000000000000 ] # b  - [    -0.000000000000000,    -0.000000000000000,     6.579237602348823 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Cl # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 5supercell:  lattice:  - [    13.158475204697647,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.158475204697647,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.158475204697647 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 9    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 10    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 14    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 15    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 16    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 17    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 18    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 19    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 20    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Cl # 33    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 34    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 35    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 36    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 37    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 38    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 39    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 40    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 41    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 42    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 43    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 45    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 46    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 47    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 48    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 49    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 50    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 51    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 52    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 54    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 55    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 56    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 57    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 58    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 59    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 60    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 62    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 63    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 64    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 33phonon_supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   4 ]phonon_primitive_cell:  lattice:  - [     0.000000000000000,     3.289618801174412,     3.289618801174412 ] # a  - [     3.289618801174412,     0.000000000000000,     3.289618801174412 ] # b  - [     3.289618801174412,     3.289618801174412,     0.000000000000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Cl # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000  reciprocal_lattice: # without 2pi  - [    -0.151993294731139,     0.151993294731139,     0.151993294731139 ] # a*  - [     0.151993294731139,    -0.151993294731139,     0.151993294731139 ] # b*  - [     0.151993294731139,     0.151993294731139,    -0.151993294731139 ] # c*phonon_supercell:  lattice:  - [    26.316950409395293,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    26.316950409395293,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    26.316950409395293 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 7    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 10    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 12    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 15    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 18    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 20    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 21    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 22    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 24    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 29    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 30    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 31    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 50    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 54    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - 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[  0.000000000000000,  1.166197980000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.166197980000000 ]- # 2 (Cl)  - [ -1.166197980000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.166197980000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.166197980000000 ]dielectric_constant:  - [  2.386542240000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.386542240000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.386542240000000 ]phonon_displacements:- atom:    1  displacement:    [  0.0300000000000000,  0.0000000000000000,  0.0000000000000000 ]  displacement_id: 1  forces:  - [ -0.0543826600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  0.0027808000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  0.0005517200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  0.0027543800000000,  0.0000000000000000,  0.0000000000000000 ]  - [ -0.0005654800000000, -0.0000105000000000,  0.0000000000000000 ]  - 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