# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/75a6ed43-7b95-422d-aadc-fb61569afe97/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(AlTe2)2 / I422 (97) / materials id 38394](https://mdr.nims.go.jp/datasets/32631fed-eac2-4a24-baa8-8b4786adf59d)

## 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:  - [    -4.242539770000000,     4.242539770000000,     3.329087595000000 ] # a  - [     4.242539770000000,    -4.242539770000000,     3.329087595000000 ] # b  - [     4.242539770000000,     4.242539770000000,    -3.329087595000000 ] # c  points:  - symbol: Al # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Al # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Ba # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000  - symbol: Te # 4    coordinates: [  0.079387140000000,  0.920612860000000,  0.500000000000000 ]    mass: 127.600000  - symbol: Te # 5    coordinates: [  0.579387140000000,  0.079387140000000,  0.158774280000000 ]    mass: 127.600000  - symbol: Te # 6    coordinates: [  0.920612860000000,  0.420612860000000,  0.841225720000000 ]    mass: 127.600000  - symbol: Te # 7    coordinates: [  0.420612860000000,  0.579387140000000,  0.500000000000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.117853933517752,     0.150191301890331 ] # a*  - [     0.117853933517752,     0.000000000000000,     0.150191301890331 ] # b*  - [     0.117853933517752,     0.117853933517752,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     8.485079539999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.485079539999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.658175190000000 ] # c  points:  - symbol: Al # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 2  - symbol: Al # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 2  - symbol: Ba # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Te # 7    coordinates: [  0.170612860000000,  0.329387140000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 8    coordinates: [  0.829387140000000,  0.329387140000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.170612860000000,  0.670612860000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.829387140000000,  0.670612860000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.670612860000000,  0.829387140000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 12    coordinates: [  0.329387140000000,  0.829387140000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 13    coordinates: [  0.670612860000000,  0.170612860000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 14    coordinates: [  0.329387140000000,  0.170612860000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 10supercell:  lattice:  - [    16.970159079999998,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    16.970159079999998,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.316350379999999 ] # c  points:  - symbol: Al # 1    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 2    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 3    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 4    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 7    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 8    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 9    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 10    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 14    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 15    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 16    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 17    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 18    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 19    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 20    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 25    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 26    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 27    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 29    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 30    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 31    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 32    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Ba # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 34    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 35    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 39    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 41    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 42    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 43    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 44    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 45    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 46    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 47    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 33  - symbol: Te # 49    coordinates: [  0.085306430000000,  0.164693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 50    coordinates: [  0.585306430000000,  0.164693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 51    coordinates: [  0.085306430000000,  0.664693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 52    coordinates: [  0.585306430000000,  0.664693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 53    coordinates: [  0.085306430000000,  0.164693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 54    coordinates: [  0.585306430000000,  0.164693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 55    coordinates: [  0.085306430000000,  0.664693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 56    coordinates: [  0.585306430000000,  0.664693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 57    coordinates: [  0.414693570000000,  0.164693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 58    coordinates: [  0.914693570000000,  0.164693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 59    coordinates: [  0.414693570000000,  0.664693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 60    coordinates: [  0.914693570000000,  0.664693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 61    coordinates: [  0.414693570000000,  0.164693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 62    coordinates: [  0.914693570000000,  0.164693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 63    coordinates: [  0.414693570000000,  0.664693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 64    coordinates: [  0.914693570000000,  0.664693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 65    coordinates: [  0.085306430000000,  0.335306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 66    coordinates: [  0.585306430000000,  0.335306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 67    coordinates: [  0.085306430000000,  0.835306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 68    coordinates: [  0.585306430000000,  0.835306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 69    coordinates: [  0.085306430000000,  0.335306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 70    coordinates: [  0.585306430000000,  0.335306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 71    coordinates: [  0.085306430000000,  0.835306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 72    coordinates: [  0.585306430000000,  0.835306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 73    coordinates: [  0.414693570000000,  0.335306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 74    coordinates: [  0.914693570000000,  0.335306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 75    coordinates: [  0.414693570000000,  0.835306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 76    coordinates: [  0.914693570000000,  0.835306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 77    coordinates: [  0.414693570000000,  0.335306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 78    coordinates: [  0.914693570000000,  0.335306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 79    coordinates: [  0.414693570000000,  0.835306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 80    coordinates: [  0.914693570000000,  0.835306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 81    coordinates: [  0.335306430000000,  0.414693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 82    coordinates: [  0.835306430000000,  0.414693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 83    coordinates: [  0.335306430000000,  0.914693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 84    coordinates: [  0.835306430000000,  0.914693570000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 85    coordinates: [  0.335306430000000,  0.414693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 86    coordinates: [  0.835306430000000,  0.414693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 87    coordinates: [  0.335306430000000,  0.914693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 88    coordinates: [  0.835306430000000,  0.914693570000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 89    coordinates: [  0.164693570000000,  0.414693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 90    coordinates: [  0.664693570000000,  0.414693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 91    coordinates: [  0.164693570000000,  0.914693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 92    coordinates: [  0.664693570000000,  0.914693570000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 93    coordinates: [  0.164693570000000,  0.414693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 94    coordinates: [  0.664693570000000,  0.414693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 95    coordinates: [  0.164693570000000,  0.914693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 96    coordinates: [  0.664693570000000,  0.914693570000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 57  - symbol: Te # 97    coordinates: [  0.335306430000000,  0.085306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 98    coordinates: [  0.835306430000000,  0.085306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 99    coordinates: [  0.335306430000000,  0.585306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 100    coordinates: [  0.835306430000000,  0.585306430000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 101    coordinates: [  0.335306430000000,  0.085306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 102    coordinates: [  0.835306430000000,  0.085306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 103    coordinates: [  0.335306430000000,  0.585306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 104    coordinates: [  0.835306430000000,  0.585306430000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 105    coordinates: [  0.164693570000000,  0.085306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 106    coordinates: [  0.664693570000000,  0.085306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 107    coordinates: [  0.164693570000000,  0.585306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 108    coordinates: [  0.664693570000000,  0.585306430000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 109    coordinates: [  0.164693570000000,  0.085306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 110    coordinates: [  0.664693570000000,  0.085306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 111    coordinates: [  0.164693570000000,  0.585306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 112    coordinates: [  0.664693570000000,  0.585306430000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 73born_effective_charge:- # 1 (Al)  - [  1.934788290000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.055052300000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  3.349714830000000 ]- # 2 (Al)  - [  2.055052300000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.934788290000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  3.349714830000000 ]- # 3 (Ba)  - [  3.031386700000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  3.031386700000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.153474640000000 ]- # 4 (Te)  - [ -1.755306820000000,  0.198976770000000,  0.285180630000000 ]  - [  0.198976770000000, -1.755306820000000,  0.285180630000000 ]  - [  0.435110960000000,  0.435110960000000, -2.213226070000000 ]- # 5 (Te)  - [ -1.755306820000000, -0.198976770000000,  0.285180630000000 ]  - [ -0.198976770000000, -1.755306820000000, -0.285180630000000 ]  - [  0.435110960000000, -0.435110960000000, -2.213226070000000 ]- # 6 (Te)  - [ -1.755306820000000, -0.198976770000000, -0.285180630000000 ]  - [ -0.198976770000000, -1.755306820000000,  0.285180630000000 ]  - [ -0.435110960000000,  0.435110960000000, -2.213226070000000 ]- # 7 (Te)  - [ -1.755306820000000,  0.198976770000000, -0.285180630000000 ]  - [  0.198976770000000, -1.755306820000000, -0.285180630000000 ]  - [ -0.435110960000000, -0.435110960000000, -2.213226070000000 ]dielectric_constant:  - [  7.093790500000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  7.093790500000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.539287249999999 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0759871100000000,  0.0000000000000000,  0.0000000000000000 ]  - 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