# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f28fa458-1200-4db6-aa41-d1f976bb0cb3/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 Ba(InTe2)2 / I422 (97) / materials id 33985](https://mdr.nims.go.jp/datasets/34320f84-d787-4e80-babb-f254d2447ef6)

## 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: "I422"  number: 97  Hall_symbol: "I 4 2"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:  - [    -4.242345200000000,     4.242345200000000,     3.524413525000000 ] # a  - [     4.242345200000000,    -4.242345200000000,     3.524413525000000 ] # b  - [     4.242345200000000,     4.242345200000000,    -3.524413525000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000  - symbol: In # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: Te # 4    coordinates: [  0.067093790000000,  0.932906210000000,  0.500000000000000 ]    mass: 127.600000  - symbol: Te # 5    coordinates: [  0.567093790000000,  0.067093790000000,  0.134187580000000 ]    mass: 127.600000  - symbol: Te # 6    coordinates: [  0.932906210000000,  0.432906210000000,  0.865812420000000 ]    mass: 127.600000  - symbol: Te # 7    coordinates: [  0.432906210000000,  0.567093790000000,  0.500000000000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.117859338744994,     0.141867574974761 ] # a*  - [     0.117859338744994,     0.000000000000000,     0.141867574974761 ] # b*  - [     0.117859338744994,     0.117859338744994,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     8.484690400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.484690400000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.048827050000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 4  - symbol: Te # 7    coordinates: [  0.682906210000000,  0.817093790000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 8    coordinates: [  0.817093790000000,  0.317093790000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.682906210000000,  0.182906210000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.817093790000000,  0.682906210000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.182906210000000,  0.317093790000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 12    coordinates: [  0.317093790000000,  0.817093790000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 13    coordinates: [  0.182906210000000,  0.682906210000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 14    coordinates: [  0.317093790000000,  0.182906210000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 10supercell:  lattice:  - [    16.969380800000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    16.969380800000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.097654100000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 9    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 10    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 11    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 12    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 13    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 14    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 15    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: In # 17    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 19    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 20    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 25    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 27    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 28    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 29    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 30    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 31    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 32    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 33    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 34    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 35    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 36    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 38    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 39    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 40    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 41    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 42    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 43    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 45    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 46    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 47    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 48    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: Te # 49    coordinates: [  0.341453105000000,  0.408546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 50    coordinates: [  0.841453105000000,  0.408546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 51    coordinates: [  0.341453105000000,  0.908546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 52    coordinates: [  0.841453105000000,  0.908546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 53    coordinates: [  0.341453105000000,  0.408546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 54    coordinates: [  0.841453105000000,  0.408546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 55    coordinates: [  0.341453105000000,  0.908546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 56    coordinates: [  0.841453105000000,  0.908546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 57    coordinates: [  0.408546895000000,  0.158546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 58    coordinates: [  0.908546895000000,  0.158546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 59    coordinates: [  0.408546895000000,  0.658546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 60    coordinates: [  0.908546895000000,  0.658546895000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 61    coordinates: [  0.408546895000000,  0.158546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 62    coordinates: [  0.908546895000000,  0.158546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 63    coordinates: [  0.408546895000000,  0.658546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 64    coordinates: [  0.908546895000000,  0.658546895000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 65    coordinates: [  0.341453105000000,  0.091453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 66    coordinates: [  0.841453105000000,  0.091453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 67    coordinates: [  0.341453105000000,  0.591453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 68    coordinates: [  0.841453105000000,  0.591453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 69    coordinates: [  0.341453105000000,  0.091453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 70    coordinates: [  0.841453105000000,  0.091453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 71    coordinates: [  0.341453105000000,  0.591453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 72    coordinates: [  0.841453105000000,  0.591453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 73    coordinates: [  0.408546895000000,  0.341453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 74    coordinates: [  0.908546895000000,  0.341453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 75    coordinates: [  0.408546895000000,  0.841453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 76    coordinates: [  0.908546895000000,  0.841453105000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 77    coordinates: [  0.408546895000000,  0.341453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 78    coordinates: [  0.908546895000000,  0.341453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 79    coordinates: [  0.408546895000000,  0.841453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 80    coordinates: [  0.908546895000000,  0.841453105000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 81    coordinates: [  0.091453105000000,  0.158546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 82    coordinates: [  0.591453105000000,  0.158546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 83    coordinates: [  0.091453105000000,  0.658546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 84    coordinates: [  0.591453105000000,  0.658546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 85    coordinates: [  0.091453105000000,  0.158546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 86    coordinates: [  0.591453105000000,  0.158546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 87    coordinates: [  0.091453105000000,  0.658546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 88    coordinates: [  0.591453105000000,  0.658546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 89    coordinates: [  0.158546895000000,  0.408546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 90    coordinates: [  0.658546895000000,  0.408546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 91    coordinates: [  0.158546895000000,  0.908546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 92    coordinates: [  0.658546895000000,  0.908546895000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 93    coordinates: [  0.158546895000000,  0.408546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 94    coordinates: [  0.658546895000000,  0.408546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 95    coordinates: [  0.158546895000000,  0.908546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 96    coordinates: [  0.658546895000000,  0.908546895000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 97    coordinates: [  0.091453105000000,  0.341453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 98    coordinates: [  0.591453105000000,  0.341453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 99    coordinates: [  0.091453105000000,  0.841453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 100    coordinates: [  0.591453105000000,  0.841453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 101    coordinates: [  0.091453105000000,  0.341453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 102    coordinates: [  0.591453105000000,  0.341453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 103    coordinates: [  0.091453105000000,  0.841453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 104    coordinates: [  0.591453105000000,  0.841453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 105    coordinates: [  0.158546895000000,  0.091453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 106    coordinates: [  0.658546895000000,  0.091453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 107    coordinates: [  0.158546895000000,  0.591453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 108    coordinates: [  0.658546895000000,  0.591453105000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 109    coordinates: [  0.158546895000000,  0.091453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 110    coordinates: [  0.658546895000000,  0.091453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 111    coordinates: [  0.158546895000000,  0.591453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 112    coordinates: [  0.658546895000000,  0.591453105000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73born_effective_charge:- # 1 (Ba)  - [  3.069057900000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.069057900000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.391226440000000 ]- # 2 (In)  - [  2.379072600000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  2.495760840000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  3.767017980000000 ]- # 3 (In)  - [  2.495760840000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.379072600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.767017980000000 ]- # 4 (Te)  - [ -1.985972830000000,  0.231696070000000,  0.333080570000000 ]  - [  0.231696070000000, -1.985972830000000,  0.333080570000000 ]  - [  0.568820920000000,  0.568820920000000, -2.481315600000000 ]- # 5 (Te)  - [ -1.985972830000000, -0.231696070000000,  0.333080570000000 ]  - [ -0.231696070000000, -1.985972830000000, -0.333080570000000 ]  - [  0.568820920000000, -0.568820920000000, -2.481315600000000 ]- # 6 (Te)  - [ -1.985972830000000, -0.231696070000000, -0.333080570000000 ]  - [ -0.231696070000000, -1.985972830000000,  0.333080570000000 ]  - [ -0.568820920000000,  0.568820920000000, -2.481315600000000 ]- # 7 (Te)  - [ -1.985972830000000,  0.231696070000000, -0.333080570000000 ]  - [  0.231696070000000, -1.985972830000000, -0.333080570000000 ]  - [ -0.568820920000000, -0.568820920000000, -2.481315600000000 ]dielectric_constant:  - [  8.904075270000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  8.904075270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 12.447370210000001 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0350221200000000,  0.0000000000000000,  0.0000000000000000 ]  - 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