# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5471b048-90d3-4035-a69b-067d588b3a7a/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 TlF / P4/nmm (129) / materials id 557835](https://mdr.nims.go.jp/datasets/0e649461-eb44-4cf5-bf15-6eb9410e27ad)

## 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: "P4/nmm"  number: 129  Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.676748390000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.676748390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.096465520000000 ] # c  points:  - symbol: Tl # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.741246150000000 ]    mass: 204.383300  - symbol: Tl # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.258753850000000 ]    mass: 204.383300  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.858488520000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.141511480000000 ]    mass: 18.998403  reciprocal_lattice: # without 2pi  - [     0.271979448667141,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.271979448667141,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.164029468668265 ] # c*unit_cell:  lattice:  - [     3.676748390000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.676748390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.096465520000000 ] # c  points:  - symbol: Tl # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.741246150000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.258753850000000 ]    mass: 204.383300    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.858488520000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.141511480000000 ]    mass: 18.998403    reduced_to: 4supercell:  lattice:  - [    14.706993560000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.706993560000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.192931039999999 ] # c  points:  - symbol: Tl # 1    coordinates: [  0.000000000000000,  0.125000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 2    coordinates: [  0.250000000000000,  0.125000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 3    coordinates: [  0.500000000000000,  0.125000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 4    coordinates: [  0.750000000000000,  0.125000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 5    coordinates: [  0.000000000000000,  0.375000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 6    coordinates: [  0.250000000000000,  0.375000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 7    coordinates: [  0.500000000000000,  0.375000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 8    coordinates: [  0.750000000000000,  0.375000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 9    coordinates: [  0.000000000000000,  0.625000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 10    coordinates: [  0.250000000000000,  0.625000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 11    coordinates: [  0.500000000000000,  0.625000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 12    coordinates: [  0.750000000000000,  0.625000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 13    coordinates: [  0.000000000000000,  0.875000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 14    coordinates: [  0.250000000000000,  0.875000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 15    coordinates: [  0.500000000000000,  0.875000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 16    coordinates: [  0.750000000000000,  0.875000000000000,  0.370623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 17    coordinates: [  0.000000000000000,  0.125000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 18    coordinates: [  0.250000000000000,  0.125000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 19    coordinates: [  0.500000000000000,  0.125000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 20    coordinates: [  0.750000000000000,  0.125000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 21    coordinates: [  0.000000000000000,  0.375000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 22    coordinates: [  0.250000000000000,  0.375000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 23    coordinates: [  0.500000000000000,  0.375000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 24    coordinates: [  0.750000000000000,  0.375000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 25    coordinates: [  0.000000000000000,  0.625000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 26    coordinates: [  0.250000000000000,  0.625000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 27    coordinates: [  0.500000000000000,  0.625000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 28    coordinates: [  0.750000000000000,  0.625000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 29    coordinates: [  0.000000000000000,  0.875000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 30    coordinates: [  0.250000000000000,  0.875000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 31    coordinates: [  0.500000000000000,  0.875000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 32    coordinates: [  0.750000000000000,  0.875000000000000,  0.870623075000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 33    coordinates: [  0.125000000000000,  0.000000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 34    coordinates: [  0.375000000000000,  0.000000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 35    coordinates: [  0.625000000000000,  0.000000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 36    coordinates: [  0.875000000000000,  0.000000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 37    coordinates: [  0.125000000000000,  0.250000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 38    coordinates: [  0.375000000000000,  0.250000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 39    coordinates: [  0.625000000000000,  0.250000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 40    coordinates: [  0.875000000000000,  0.250000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 41    coordinates: [  0.125000000000000,  0.500000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 42    coordinates: [  0.375000000000000,  0.500000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 43    coordinates: [  0.625000000000000,  0.500000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 44    coordinates: [  0.875000000000000,  0.500000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 45    coordinates: [  0.125000000000000,  0.750000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 46    coordinates: [  0.375000000000000,  0.750000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 47    coordinates: [  0.625000000000000,  0.750000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 48    coordinates: [  0.875000000000000,  0.750000000000000,  0.129376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 49    coordinates: [  0.125000000000000,  0.000000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 50    coordinates: [  0.375000000000000,  0.000000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 51    coordinates: [  0.625000000000000,  0.000000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 52    coordinates: [  0.875000000000000,  0.000000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 53    coordinates: [  0.125000000000000,  0.250000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 54    coordinates: [  0.375000000000000,  0.250000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 55    coordinates: [  0.625000000000000,  0.250000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 56    coordinates: [  0.875000000000000,  0.250000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 57    coordinates: [  0.125000000000000,  0.500000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 58    coordinates: [  0.375000000000000,  0.500000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 59    coordinates: [  0.625000000000000,  0.500000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 60    coordinates: [  0.875000000000000,  0.500000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 61    coordinates: [  0.125000000000000,  0.750000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 62    coordinates: [  0.375000000000000,  0.750000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 63    coordinates: [  0.625000000000000,  0.750000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: Tl # 64    coordinates: [  0.875000000000000,  0.750000000000000,  0.629376925000000 ]    mass: 204.383300    reduced_to: 33  - symbol: F  # 65    coordinates: [  0.125000000000000,  0.000000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 66    coordinates: [  0.375000000000000,  0.000000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 67    coordinates: [  0.625000000000000,  0.000000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 68    coordinates: [  0.875000000000000,  0.000000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 69    coordinates: [  0.125000000000000,  0.250000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 70    coordinates: [  0.375000000000000,  0.250000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 71    coordinates: [  0.625000000000000,  0.250000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 72    coordinates: [  0.875000000000000,  0.250000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 73    coordinates: [  0.125000000000000,  0.500000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 74    coordinates: [  0.375000000000000,  0.500000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 75    coordinates: [  0.625000000000000,  0.500000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 76    coordinates: [  0.875000000000000,  0.500000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 77    coordinates: [  0.125000000000000,  0.750000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 78    coordinates: [  0.375000000000000,  0.750000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 79    coordinates: [  0.625000000000000,  0.750000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 80    coordinates: [  0.875000000000000,  0.750000000000000,  0.429244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 81    coordinates: [  0.125000000000000,  0.000000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 82    coordinates: [  0.375000000000000,  0.000000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 83    coordinates: [  0.625000000000000,  0.000000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 84    coordinates: [  0.875000000000000,  0.000000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 85    coordinates: [  0.125000000000000,  0.250000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 86    coordinates: [  0.375000000000000,  0.250000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 87    coordinates: [  0.625000000000000,  0.250000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 88    coordinates: [  0.875000000000000,  0.250000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 89    coordinates: [  0.125000000000000,  0.500000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 90    coordinates: [  0.375000000000000,  0.500000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 91    coordinates: [  0.625000000000000,  0.500000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 92    coordinates: [  0.875000000000000,  0.500000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 93    coordinates: [  0.125000000000000,  0.750000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 94    coordinates: [  0.375000000000000,  0.750000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 95    coordinates: [  0.625000000000000,  0.750000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 96    coordinates: [  0.875000000000000,  0.750000000000000,  0.929244260000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 97    coordinates: [  0.000000000000000,  0.125000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 98    coordinates: [  0.250000000000000,  0.125000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 99    coordinates: [  0.500000000000000,  0.125000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 100    coordinates: [  0.750000000000000,  0.125000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 101    coordinates: [  0.000000000000000,  0.375000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 102    coordinates: [  0.250000000000000,  0.375000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 103    coordinates: [  0.500000000000000,  0.375000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 104    coordinates: [  0.750000000000000,  0.375000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 105    coordinates: [  0.000000000000000,  0.625000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 106    coordinates: [  0.250000000000000,  0.625000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 107    coordinates: [  0.500000000000000,  0.625000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 108    coordinates: [  0.750000000000000,  0.625000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 109    coordinates: [  0.000000000000000,  0.875000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 110    coordinates: [  0.250000000000000,  0.875000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 111    coordinates: [  0.500000000000000,  0.875000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 112    coordinates: [  0.750000000000000,  0.875000000000000,  0.070755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 113    coordinates: [  0.000000000000000,  0.125000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 114    coordinates: [  0.250000000000000,  0.125000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 115    coordinates: [  0.500000000000000,  0.125000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 116    coordinates: [  0.750000000000000,  0.125000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 117    coordinates: [  0.000000000000000,  0.375000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 118    coordinates: [  0.250000000000000,  0.375000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 119    coordinates: [  0.500000000000000,  0.375000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 120    coordinates: [  0.750000000000000,  0.375000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 121    coordinates: [  0.000000000000000,  0.625000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 122    coordinates: [  0.250000000000000,  0.625000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 123    coordinates: [  0.500000000000000,  0.625000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 124    coordinates: [  0.750000000000000,  0.625000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 125    coordinates: [  0.000000000000000,  0.875000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 126    coordinates: [  0.250000000000000,  0.875000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 127    coordinates: [  0.500000000000000,  0.875000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 128    coordinates: [  0.750000000000000,  0.875000000000000,  0.570755740000000 ]    mass: 18.998403    reduced_to: 97born_effective_charge:- # 1 (Tl)  - [  1.784625600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.784625600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.993567880000000 ]- # 2 (Tl)  - [  1.784625600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.784625600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.993567880000001 ]- # 3 (F)  - [ -1.784625600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.784625600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.993567880000000 ]- # 4 (F)  - [ -1.784625600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.784625600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.993567880000001 ]dielectric_constant:  - [  5.007241390000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.007241390000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.638705660000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0217830200000000,  0.0000000000000000, -0.0209596800000000 ]  - [   0.0074876600000000,  0.0000000000000000, -0.0213135400000000 ]  - [   0.0011912000000000,  0.0000000000000000, -0.0208678500000000 ]  - [   0.0073763500000000,  0.0000000000000000, -0.0204275600000000 ]  - [  -0.0037025100000000, -0.0000060100000000, -0.0208714600000000 ]  - [   0.0012095300000000,  0.0016928200000000, -0.0210226700000000 ]  - [   0.0007587600000000,  0.0000010700000000, -0.0208687600000000 ]  - 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