# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/04fdb5e6-f729-464b-b555-6822f94d22c5/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 OsCl2O / Immm (71) / materials id 29133](https://mdr.nims.go.jp/datasets/3e1fa547-1256-46f4-8c60-dcc9a955e6bb)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Immm"  number: 71  Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -1.795373995000000,     1.856163360000000,     5.686492260000000 ] # a  - [     1.795373995000000,    -1.856163360000000,     5.686492260000000 ] # b  - [     1.795373995000000,     1.856163360000000,    -5.686492260000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: Cl # 2    coordinates: [  0.363810210000000,  0.363810210000000,  0.000000000000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.636189790000000,  0.636189790000000,  0.000000000000000 ]    mass: 35.453000  - symbol: Os # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 190.230000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.269372842269659,     0.087927667380664 ] # a*  - [     0.278493506864011,     0.000000000000000,     0.087927667380664 ] # b*  - [     0.278493506864011,     0.269372842269659,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     3.590747990000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.712326720000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.372984519999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: Cl # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Os # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 7  - symbol: Os # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 7supercell:  lattice:  - [    14.362991960000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.849306880000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.372984519999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 15    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 17    coordinates: [  0.125000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.375000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.625000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.875000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.125000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 22    coordinates: [  0.375000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 23    coordinates: [  0.625000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 24    coordinates: [  0.875000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 25    coordinates: [  0.125000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.375000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.625000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.875000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.125000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 30    coordinates: [  0.375000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 31    coordinates: [  0.625000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 32    coordinates: [  0.875000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: Cl # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.363810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 49    coordinates: [  0.125000000000000,  0.125000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 50    coordinates: [  0.375000000000000,  0.125000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 51    coordinates: [  0.625000000000000,  0.125000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 52    coordinates: [  0.875000000000000,  0.125000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 53    coordinates: [  0.125000000000000,  0.375000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 54    coordinates: [  0.375000000000000,  0.375000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 55    coordinates: [  0.625000000000000,  0.375000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 56    coordinates: [  0.875000000000000,  0.375000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 57    coordinates: [  0.125000000000000,  0.625000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 58    coordinates: [  0.375000000000000,  0.625000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 59    coordinates: [  0.625000000000000,  0.625000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 60    coordinates: [  0.875000000000000,  0.625000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 61    coordinates: [  0.125000000000000,  0.875000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 62    coordinates: [  0.375000000000000,  0.875000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 63    coordinates: [  0.625000000000000,  0.875000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.136189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 65    coordinates: [  0.125000000000000,  0.125000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 66    coordinates: [  0.375000000000000,  0.125000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 67    coordinates: [  0.625000000000000,  0.125000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 68    coordinates: [  0.875000000000000,  0.125000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 69    coordinates: [  0.125000000000000,  0.375000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 70    coordinates: [  0.375000000000000,  0.375000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 71    coordinates: [  0.625000000000000,  0.375000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 72    coordinates: [  0.875000000000000,  0.375000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 73    coordinates: [  0.125000000000000,  0.625000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 74    coordinates: [  0.375000000000000,  0.625000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 75    coordinates: [  0.625000000000000,  0.625000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 76    coordinates: [  0.875000000000000,  0.625000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 77    coordinates: [  0.125000000000000,  0.875000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 78    coordinates: [  0.375000000000000,  0.875000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 80    coordinates: [  0.875000000000000,  0.875000000000000,  0.863810210000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 82    coordinates: [  0.250000000000000,  0.000000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 84    coordinates: [  0.750000000000000,  0.000000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 85    coordinates: [  0.000000000000000,  0.250000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 86    coordinates: [  0.250000000000000,  0.250000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 87    coordinates: [  0.500000000000000,  0.250000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 88    coordinates: [  0.750000000000000,  0.250000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 89    coordinates: [  0.000000000000000,  0.500000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 90    coordinates: [  0.250000000000000,  0.500000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 91    coordinates: [  0.500000000000000,  0.500000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 92    coordinates: [  0.750000000000000,  0.500000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 93    coordinates: [  0.000000000000000,  0.750000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 94    coordinates: [  0.250000000000000,  0.750000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 95    coordinates: [  0.500000000000000,  0.750000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.636189790000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Os # 97    coordinates: [  0.000000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 98    coordinates: [  0.250000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 99    coordinates: [  0.500000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 100    coordinates: [  0.750000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 101    coordinates: [  0.000000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 102    coordinates: [  0.250000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 103    coordinates: [  0.500000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 104    coordinates: [  0.750000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 105    coordinates: [  0.000000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 106    coordinates: [  0.250000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 107    coordinates: [  0.500000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 108    coordinates: [  0.750000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 109    coordinates: [  0.000000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 110    coordinates: [  0.250000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 111    coordinates: [  0.500000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 112    coordinates: [  0.750000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 113    coordinates: [  0.125000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 114    coordinates: [  0.375000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 115    coordinates: [  0.625000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 116    coordinates: [  0.875000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 117    coordinates: [  0.125000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 118    coordinates: [  0.375000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 119    coordinates: [  0.625000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 120    coordinates: [  0.875000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 121    coordinates: [  0.125000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 122    coordinates: [  0.375000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 123    coordinates: [  0.625000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 124    coordinates: [  0.875000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 125    coordinates: [  0.125000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 126    coordinates: [  0.375000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 127    coordinates: [  0.625000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97  - symbol: Os # 128    coordinates: [  0.875000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 190.230000    reduced_to: 97born_effective_charge:- # 1 (O)  - [ -0.754508830000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -4.133952930000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -0.278336630000000 ]- # 2 (Cl)  - [ -1.438820560000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.486042610000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -0.230823780000000 ]- # 3 (Cl)  - [ -1.438820560000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.486042610000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -0.230823780000000 ]- # 4 (Os)  - [  3.632149940000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  5.106038140000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.739984180000000 ]dielectric_constant:  - 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