# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a8248597-0208-4eb6-be31-b70d4102b76f/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 In2HgTe4 / I-4 (82) / materials id 19765](https://mdr.nims.go.jp/datasets/c6e2bef6-10c1-4d05-8516-b6e970990963)

## 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: "I-4"  number: 82  Hall_symbol: "I -4"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -3.114657980000000,     3.114657970000000,     6.171266765000000 ] # a  - [     3.114657980000000,    -3.114657970000000,     6.171266765000000 ] # b  - [     3.114657970000000,     3.114657980000000,    -6.171266765000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: Te # 3    coordinates: [  0.080840350000000,  0.577489620000000,  0.938969050000000 ]    mass: 127.600000  - symbol: Te # 4    coordinates: [  0.638520570000000,  0.141871300000000,  0.061030950000000 ]    mass: 127.600000  - symbol: Te # 5    coordinates: [  0.422510380000000,  0.361479430000000,  0.503350730000000 ]    mass: 127.600000  - symbol: Te # 6    coordinates: [  0.858128700000000,  0.919159650000000,  0.496649270000000 ]    mass: 127.600000  - symbol: Hg # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000  reciprocal_lattice: # without 2pi  - [    -0.000000000257703,     0.160531269890075,     0.081020642769119 ] # a*  - [     0.160531269890075,     0.000000000257703,     0.081020642769119 ] # b*  - [     0.160531269632372,     0.160531270147778,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     6.229315950000000,     0.000000010000000,     0.000000000000000 ] # a  - [    -0.000000010000000,     6.229315950000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.342533530000001 ] # c  points:  - symbol: In # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 2  - symbol: Te # 5    coordinates: [  0.217809160000000,  0.721159890000000,  0.359680460000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 6    coordinates: [  0.782190840000000,  0.278840110000000,  0.359680460000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 7    coordinates: [  0.221159890000000,  0.282190840000000,  0.140319540000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 8    coordinates: [  0.778840110000000,  0.717809160000000,  0.140319540000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.717809160000000,  0.221159890000000,  0.859680460000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 10    coordinates: [  0.282190840000000,  0.778840110000000,  0.859680460000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 11    coordinates: [  0.721159890000000,  0.782190840000000,  0.640319540000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 12    coordinates: [  0.278840110000000,  0.217809160000000,  0.640319540000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Hg # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 13  - symbol: Hg # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 13supercell:  lattice:  - [    12.458631900000000,     0.000000020000000,     0.000000000000000 ] # a  - [    -0.000000020000000,    12.458631900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    24.685067060000002 ] # c  points:  - symbol: In # 1    coordinates: [  0.250000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.750000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 5    coordinates: [  0.250000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 6    coordinates: [  0.750000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 7    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 8    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 17    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 18    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 19    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 20    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 21    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 22    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 23    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 24    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 9  - symbol: Te # 33    coordinates: [  0.108904580000000,  0.360579945000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 34    coordinates: [  0.608904580000000,  0.360579945000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 35    coordinates: [  0.108904580000000,  0.860579945000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 36    coordinates: [  0.608904580000000,  0.860579945000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 37    coordinates: [  0.108904580000000,  0.360579945000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 38    coordinates: [  0.608904580000000,  0.360579945000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 39    coordinates: [  0.108904580000000,  0.860579945000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 40    coordinates: [  0.608904580000000,  0.860579945000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 41    coordinates: [  0.391095420000000,  0.139420055000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 42    coordinates: [  0.891095420000000,  0.139420055000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 43    coordinates: [  0.391095420000000,  0.639420055000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 44    coordinates: [  0.891095420000000,  0.639420055000000,  0.179840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 45    coordinates: [  0.391095420000000,  0.139420055000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 46    coordinates: [  0.891095420000000,  0.139420055000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 47    coordinates: [  0.391095420000000,  0.639420055000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 48    coordinates: [  0.891095420000000,  0.639420055000000,  0.679840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 49    coordinates: [  0.110579945000000,  0.141095420000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 50    coordinates: [  0.610579945000000,  0.141095420000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 51    coordinates: [  0.110579945000000,  0.641095420000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 52    coordinates: [  0.610579945000000,  0.641095420000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 53    coordinates: [  0.110579945000000,  0.141095420000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 54    coordinates: [  0.610579945000000,  0.141095420000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 55    coordinates: [  0.110579945000000,  0.641095420000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 56    coordinates: [  0.610579945000000,  0.641095420000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 57    coordinates: [  0.389420055000000,  0.358904580000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 58    coordinates: [  0.889420055000000,  0.358904580000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 59    coordinates: [  0.389420055000000,  0.858904580000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 60    coordinates: [  0.889420055000000,  0.858904580000000,  0.070159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 61    coordinates: [  0.389420055000000,  0.358904580000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 62    coordinates: [  0.889420055000000,  0.358904580000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 63    coordinates: [  0.389420055000000,  0.858904580000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 64    coordinates: [  0.889420055000000,  0.858904580000000,  0.570159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 65    coordinates: [  0.358904580000000,  0.110579945000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 66    coordinates: [  0.858904580000000,  0.110579945000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 67    coordinates: [  0.358904580000000,  0.610579945000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 68    coordinates: [  0.858904580000000,  0.610579945000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 69    coordinates: [  0.358904580000000,  0.110579945000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 70    coordinates: [  0.858904580000000,  0.110579945000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 71    coordinates: [  0.358904580000000,  0.610579945000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 72    coordinates: [  0.858904580000000,  0.610579945000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 33  - symbol: Te # 73    coordinates: [  0.141095420000000,  0.389420055000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 74    coordinates: [  0.641095420000000,  0.389420055000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 75    coordinates: [  0.141095420000000,  0.889420055000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 76    coordinates: [  0.641095420000000,  0.889420055000000,  0.429840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 77    coordinates: [  0.141095420000000,  0.389420055000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 78    coordinates: [  0.641095420000000,  0.389420055000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 79    coordinates: [  0.141095420000000,  0.889420055000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 80    coordinates: [  0.641095420000000,  0.889420055000000,  0.929840230000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 81    coordinates: [  0.360579945000000,  0.391095420000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 82    coordinates: [  0.860579945000000,  0.391095420000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 83    coordinates: [  0.360579945000000,  0.891095420000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 84    coordinates: [  0.860579945000000,  0.891095420000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 85    coordinates: [  0.360579945000000,  0.391095420000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 86    coordinates: [  0.860579945000000,  0.391095420000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 87    coordinates: [  0.360579945000000,  0.891095420000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 88    coordinates: [  0.860579945000000,  0.891095420000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 89    coordinates: [  0.139420055000000,  0.108904580000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 90    coordinates: [  0.639420055000000,  0.108904580000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 91    coordinates: [  0.139420055000000,  0.608904580000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 92    coordinates: [  0.639420055000000,  0.608904580000000,  0.320159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 93    coordinates: [  0.139420055000000,  0.108904580000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 94    coordinates: [  0.639420055000000,  0.108904580000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 95    coordinates: [  0.139420055000000,  0.608904580000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 96    coordinates: [  0.639420055000000,  0.608904580000000,  0.820159770000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Hg # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 105    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 106    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 107    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 108    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 109    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 110    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 111    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 112    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97born_effective_charge:- # 1 (In)  - [  2.798078060000000, -0.068528580000000,  0.000000000000000 ]  - [  0.068528570000000,  2.798078060000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.779883930000000 ]- # 2 (In)  - [  2.955017520000000, -0.871006810000000,  0.000000000000000 ]  - [  0.871006810000000,  2.955017520000001, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.955666850000000 ]- # 3 (Te)  - [ -2.615389100000000,  0.935123120000000,  0.385359630000000 ]  - [  0.563690900000000, -2.145234680000000,  0.424030720000000 ]  - [  0.469284360000000,  0.674739860000000, -2.183464710000000 ]- # 4 (Te)  - [ -2.615389100000000,  0.935123120000001, -0.385359630000000 ]  - [  0.563690900000000, -2.145234680000000, -0.424030720000000 ]  - [ -0.469284360000000, -0.674739860000000, -2.183464710000000 ]- # 5 (Te)  - [ -2.145234680000000, -0.563690900000000, -0.424030720000000 ]  - [ -0.935123120000000, -2.615389100000000,  0.385359630000000 ]  - [ -0.674739860000000,  0.469284360000000, -2.183464710000000 ]- # 6 (Te)  - [ -2.145234680000000, -0.563690900000000,  0.424030720000000 ]  - [ -0.935123120000000, -2.615389100000000, -0.385359630000000 ]  - [  0.674739860000000, -0.469284360000000, -2.183464710000000 ]- # 7 (Hg)  - [  3.768151990000000,  0.196670950000000, -0.000000000000000 ]  - [ -0.196670950000000,  3.768151990000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.998308050000000 ]dielectric_constant:  - [ 43.205398850000002,  0.000000790000000,  0.000000000000000 ]  - [ -0.000000790000000, 43.205398850000002,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 16.345953309999999 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000160531,  0.0000000000000000 ]  forces:  - [  -0.0747718200000000, -0.0000001700000000, -0.0000184100000000 ]  - 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