# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/75040475-dd88-40de-ae18-c3b4f4bd4de6/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 K2Te3 / Pnma (62) / materials id 7289](https://mdr.nims.go.jp/datasets/703b9c8d-e864-4f4b-a5ad-99282c8f5468)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [    16.191272260000002,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.221450320000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.441112290000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.375734680000000,  0.969517170000000,  0.738269560000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.124265320000000,  0.030482830000000,  0.238269560000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.624265320000000,  0.469517170000000,  0.261730440000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.875734680000000,  0.530482830000000,  0.761730440000000 ]    mass: 39.098300  - symbol: K  # 5    coordinates: [  0.624265320000000,  0.030482830000000,  0.261730440000000 ]    mass: 39.098300  - symbol: K  # 6    coordinates: [  0.875734680000000,  0.969517170000000,  0.761730440000000 ]    mass: 39.098300  - symbol: K  # 7    coordinates: [  0.375734680000000,  0.530482830000000,  0.738269560000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.124265320000000,  0.469517170000000,  0.238269560000000 ]    mass: 39.098300  - symbol: Te # 9    coordinates: [  0.488387210000000,  0.750000000000000,  0.185652900000000 ]    mass: 127.600000  - symbol: Te # 10    coordinates: [  0.011612790000000,  0.250000000000000,  0.685652900000000 ]    mass: 127.600000  - symbol: Te # 11    coordinates: [  0.511612790000000,  0.250000000000000,  0.814347100000000 ]    mass: 127.600000  - symbol: Te # 12    coordinates: [  0.988387210000000,  0.750000000000000,  0.314347100000000 ]    mass: 127.600000  - symbol: Te # 13    coordinates: [  0.258319010000000,  0.750000000000000,  0.311813420000000 ]    mass: 127.600000  - symbol: Te # 14    coordinates: [  0.241680990000000,  0.250000000000000,  0.811813420000000 ]    mass: 127.600000  - symbol: Te # 15    coordinates: [  0.741680990000000,  0.250000000000000,  0.688186580000000 ]    mass: 127.600000  - symbol: Te # 16    coordinates: [  0.758319010000000,  0.750000000000000,  0.188186580000000 ]    mass: 127.600000  - symbol: Te # 17    coordinates: [  0.123686760000000,  0.750000000000000,  0.729771280000000 ]    mass: 127.600000  - symbol: Te # 18    coordinates: [  0.376313240000000,  0.250000000000000,  0.229771280000000 ]    mass: 127.600000  - symbol: Te # 19    coordinates: [  0.876313240000000,  0.250000000000000,  0.270228720000000 ]    mass: 127.600000  - symbol: Te # 20    coordinates: [  0.623686760000000,  0.750000000000000,  0.770228720000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.061761669122844,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.097833474574868,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.225168816886636 ] # c*unit_cell:  lattice:  - [    16.191272260000002,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.221450320000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.441112290000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.375734680000000,  0.969517170000000,  0.738269560000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.124265320000000,  0.030482830000000,  0.238269560000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.624265320000000,  0.469517170000000,  0.261730440000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.875734680000000,  0.530482830000000,  0.761730440000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.624265320000000,  0.030482830000000,  0.261730440000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.875734680000000,  0.969517170000000,  0.761730440000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 7    coordinates: [  0.375734680000000,  0.530482830000000,  0.738269560000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.124265320000000,  0.469517170000000,  0.238269560000000 ]    mass: 39.098300    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.488387210000000,  0.750000000000000,  0.185652900000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.011612790000000,  0.250000000000000,  0.685652900000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.511612790000000,  0.250000000000000,  0.814347100000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 12    coordinates: [  0.988387210000000,  0.750000000000000,  0.314347100000000 ]    mass: 127.600000    reduced_to: 12  - symbol: Te # 13    coordinates: [  0.258319010000000,  0.750000000000000,  0.311813420000000 ]    mass: 127.600000    reduced_to: 13  - symbol: Te # 14    coordinates: [  0.241680990000000,  0.250000000000000,  0.811813420000000 ]    mass: 127.600000    reduced_to: 14  - symbol: Te # 15    coordinates: [  0.741680990000000,  0.250000000000000,  0.688186580000000 ]    mass: 127.600000    reduced_to: 15  - symbol: Te # 16    coordinates: [  0.758319010000000,  0.750000000000000,  0.188186580000000 ]    mass: 127.600000    reduced_to: 16  - symbol: Te # 17    coordinates: [  0.123686760000000,  0.750000000000000,  0.729771280000000 ]    mass: 127.600000    reduced_to: 17  - symbol: Te # 18    coordinates: [  0.376313240000000,  0.250000000000000,  0.229771280000000 ]    mass: 127.600000    reduced_to: 18  - symbol: Te # 19    coordinates: [  0.876313240000000,  0.250000000000000,  0.270228720000000 ]    mass: 127.600000    reduced_to: 19  - symbol: Te # 20    coordinates: [  0.623686760000000,  0.750000000000000,  0.770228720000000 ]    mass: 127.600000    reduced_to: 20supercell:  lattice:  - [    16.191272260000002,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    20.442900640000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.323336870000002 ] # c  points:  - symbol: K  # 1    coordinates: [  0.375734680000000,  0.484758585000000,  0.246089853333333 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.375734680000000,  0.984758585000000,  0.246089853333333 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 3    coordinates: [  0.375734680000000,  0.484758585000000,  0.579423186666667 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 4    coordinates: [  0.375734680000000,  0.984758585000000,  0.579423186666667 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 5    coordinates: [  0.375734680000000,  0.484758585000000,  0.912756520000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 6    coordinates: [  0.375734680000000,  0.984758585000000,  0.912756520000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 7    coordinates: [  0.124265320000000,  0.015241415000000,  0.079423186666667 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.124265320000000,  0.515241415000000,  0.079423186666667 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 9    coordinates: [  0.124265320000000,  0.015241415000000,  0.412756520000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 10    coordinates: [  0.124265320000000,  0.515241415000000,  0.412756520000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 11    coordinates: [  0.124265320000000,  0.015241415000000,  0.746089853333333 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 12    coordinates: [  0.124265320000000,  0.515241415000000,  0.746089853333333 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 13    coordinates: [  0.624265320000000,  0.234758585000000,  0.087243480000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.624265320000000,  0.734758585000000,  0.087243480000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 15    coordinates: [  0.624265320000000,  0.234758585000000,  0.420576813333333 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 16    coordinates: [  0.624265320000000,  0.734758585000000,  0.420576813333333 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 17    coordinates: [  0.624265320000000,  0.234758585000000,  0.753910146666667 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 18    coordinates: [  0.624265320000000,  0.734758585000000,  0.753910146666667 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 19    coordinates: [  0.875734680000000,  0.265241415000000,  0.253910146666667 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 20    coordinates: [  0.875734680000000,  0.765241415000000,  0.253910146666667 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 21    coordinates: [  0.875734680000000,  0.265241415000000,  0.587243480000000 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 22    coordinates: [  0.875734680000000,  0.765241415000000,  0.587243480000000 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 23    coordinates: [  0.875734680000000,  0.265241415000000,  0.920576813333333 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 24    coordinates: [  0.875734680000000,  0.765241415000000,  0.920576813333333 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 25    coordinates: [  0.624265320000000,  0.015241415000000,  0.087243480000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 26    coordinates: [  0.624265320000000,  0.515241415000000,  0.087243480000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 27    coordinates: [  0.624265320000000,  0.015241415000000,  0.420576813333333 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 28    coordinates: [  0.624265320000000,  0.515241415000000,  0.420576813333333 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 29    coordinates: [  0.624265320000000,  0.015241415000000,  0.753910146666667 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 30    coordinates: [  0.624265320000000,  0.515241415000000,  0.753910146666667 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 31    coordinates: [  0.875734680000000,  0.484758585000000,  0.253910146666667 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.875734680000000,  0.984758585000000,  0.253910146666667 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 33    coordinates: [  0.875734680000000,  0.484758585000000,  0.587243480000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 34    coordinates: [  0.875734680000000,  0.984758585000000,  0.587243480000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 35    coordinates: [  0.875734680000000,  0.484758585000000,  0.920576813333333 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 36    coordinates: [  0.875734680000000,  0.984758585000000,  0.920576813333333 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 37    coordinates: [  0.375734680000000,  0.265241415000000,  0.246089853333333 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.375734680000000,  0.765241415000000,  0.246089853333333 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 39    coordinates: [  0.375734680000000,  0.265241415000000,  0.579423186666667 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 40    coordinates: [  0.375734680000000,  0.765241415000000,  0.579423186666667 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 41    coordinates: [  0.375734680000000,  0.265241415000000,  0.912756520000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 42    coordinates: [  0.375734680000000,  0.765241415000000,  0.912756520000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 43    coordinates: [  0.124265320000000,  0.234758585000000,  0.079423186666667 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 44    coordinates: [  0.124265320000000,  0.734758585000000,  0.079423186666667 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 45    coordinates: [  0.124265320000000,  0.234758585000000,  0.412756520000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 46    coordinates: [  0.124265320000000,  0.734758585000000,  0.412756520000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 47    coordinates: [  0.124265320000000,  0.234758585000000,  0.746089853333333 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 48    coordinates: [  0.124265320000000,  0.734758585000000,  0.746089853333333 ]    mass: 39.098300    reduced_to: 43  - symbol: Te # 49    coordinates: [  0.488387210000000,  0.375000000000000,  0.061884300000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 50    coordinates: [  0.488387210000000,  0.875000000000000,  0.061884300000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 51    coordinates: [  0.488387210000000,  0.375000000000000,  0.395217633333333 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 52    coordinates: [  0.488387210000000,  0.875000000000000,  0.395217633333333 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 53    coordinates: [  0.488387210000000,  0.375000000000000,  0.728550966666667 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 54    coordinates: [  0.488387210000000,  0.875000000000000,  0.728550966666667 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 55    coordinates: [  0.011612790000000,  0.125000000000000,  0.228550966666667 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 56    coordinates: [  0.011612790000000,  0.625000000000000,  0.228550966666667 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 57    coordinates: [  0.011612790000000,  0.125000000000000,  0.561884300000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 58    coordinates: [  0.011612790000000,  0.625000000000000,  0.561884300000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 59    coordinates: [  0.011612790000000,  0.125000000000000,  0.895217633333333 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 60    coordinates: [  0.011612790000000,  0.625000000000000,  0.895217633333333 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 61    coordinates: [  0.511612790000000,  0.125000000000000,  0.271449033333333 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 62    coordinates: [  0.511612790000000,  0.625000000000000,  0.271449033333333 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 63    coordinates: [  0.511612790000000,  0.125000000000000,  0.604782366666667 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 64    coordinates: [  0.511612790000000,  0.625000000000000,  0.604782366666667 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 65    coordinates: [  0.511612790000000,  0.125000000000000,  0.938115700000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 66    coordinates: [  0.511612790000000,  0.625000000000000,  0.938115700000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 67    coordinates: [  0.988387210000000,  0.375000000000000,  0.104782366666667 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 68    coordinates: [  0.988387210000000,  0.875000000000000,  0.104782366666667 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 69    coordinates: [  0.988387210000000,  0.375000000000000,  0.438115700000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 70    coordinates: [  0.988387210000000,  0.875000000000000,  0.438115700000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 71    coordinates: [  0.988387210000000,  0.375000000000000,  0.771449033333333 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 72    coordinates: [  0.988387210000000,  0.875000000000000,  0.771449033333333 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 73    coordinates: [  0.258319010000000,  0.375000000000000,  0.103937806666667 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 74    coordinates: [  0.258319010000000,  0.875000000000000,  0.103937806666667 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 75    coordinates: [  0.258319010000000,  0.375000000000000,  0.437271140000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 76    coordinates: [  0.258319010000000,  0.875000000000000,  0.437271140000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 77    coordinates: [  0.258319010000000,  0.375000000000000,  0.770604473333333 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 78    coordinates: [  0.258319010000000,  0.875000000000000,  0.770604473333333 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 79    coordinates: [  0.241680990000000,  0.125000000000000,  0.270604473333333 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 80    coordinates: [  0.241680990000000,  0.625000000000000,  0.270604473333333 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 81    coordinates: [  0.241680990000000,  0.125000000000000,  0.603937806666667 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 82    coordinates: [  0.241680990000000,  0.625000000000000,  0.603937806666667 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 83    coordinates: [  0.241680990000000,  0.125000000000000,  0.937271140000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 84    coordinates: [  0.241680990000000,  0.625000000000000,  0.937271140000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 85    coordinates: [  0.741680990000000,  0.125000000000000,  0.229395526666667 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 86    coordinates: [  0.741680990000000,  0.625000000000000,  0.229395526666667 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 87    coordinates: [  0.741680990000000,  0.125000000000000,  0.562728860000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 88    coordinates: [  0.741680990000000,  0.625000000000000,  0.562728860000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 89    coordinates: [  0.741680990000000,  0.125000000000000,  0.896062193333333 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 90    coordinates: [  0.741680990000000,  0.625000000000000,  0.896062193333333 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 91    coordinates: [  0.758319010000000,  0.375000000000000,  0.062728860000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 92    coordinates: [  0.758319010000000,  0.875000000000000,  0.062728860000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 93    coordinates: [  0.758319010000000,  0.375000000000000,  0.396062193333333 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 94    coordinates: [  0.758319010000000,  0.875000000000000,  0.396062193333333 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 95    coordinates: [  0.758319010000000,  0.375000000000000,  0.729395526666667 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 96    coordinates: [  0.758319010000000,  0.875000000000000,  0.729395526666667 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 97    coordinates: [  0.123686760000000,  0.375000000000000,  0.243257093333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 98    coordinates: [  0.123686760000000,  0.875000000000000,  0.243257093333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 99    coordinates: [  0.123686760000000,  0.375000000000000,  0.576590426666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 100    coordinates: [  0.123686760000000,  0.875000000000000,  0.576590426666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 101    coordinates: [  0.123686760000000,  0.375000000000000,  0.909923760000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 102    coordinates: [  0.123686760000000,  0.875000000000000,  0.909923760000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 103    coordinates: [  0.376313240000000,  0.125000000000000,  0.076590426666667 ]    mass: 127.600000    reduced_to: 103  - symbol: Te # 104    coordinates: [  0.376313240000000,  0.625000000000000,  0.076590426666667 ]    mass: 127.600000    reduced_to: 103  - symbol: Te # 105    coordinates: [  0.376313240000000,  0.125000000000000,  0.409923760000000 ]    mass: 127.600000    reduced_to: 103  - symbol: Te # 106    coordinates: [  0.376313240000000,  0.625000000000000,  0.409923760000000 ]    mass: 127.600000    reduced_to: 103  - symbol: Te # 107    coordinates: [  0.376313240000000,  0.125000000000000,  0.743257093333333 ]    mass: 127.600000    reduced_to: 103  - symbol: Te # 108    coordinates: [  0.376313240000000,  0.625000000000000,  0.743257093333333 ]    mass: 127.600000    reduced_to: 103  - symbol: Te # 109    coordinates: [  0.876313240000000,  0.125000000000000,  0.090076240000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 110    coordinates: [  0.876313240000000,  0.625000000000000,  0.090076240000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 111    coordinates: [  0.876313240000000,  0.125000000000000,  0.423409573333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 112    coordinates: [  0.876313240000000,  0.625000000000000,  0.423409573333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 113    coordinates: [  0.876313240000000,  0.125000000000000,  0.756742906666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 114    coordinates: [  0.876313240000000,  0.625000000000000,  0.756742906666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 115    coordinates: [  0.623686760000000,  0.375000000000000,  0.256742906666667 ]    mass: 127.600000    reduced_to: 115  - symbol: Te # 116    coordinates: [  0.623686760000000,  0.875000000000000,  0.256742906666667 ]    mass: 127.600000    reduced_to: 115  - symbol: Te # 117    coordinates: [  0.623686760000000,  0.375000000000000,  0.590076240000000 ]    mass: 127.600000    reduced_to: 115  - symbol: Te # 118    coordinates: [  0.623686760000000,  0.875000000000000,  0.590076240000000 ]    mass: 127.600000    reduced_to: 115  - symbol: Te # 119    coordinates: [  0.623686760000000,  0.375000000000000,  0.923409573333333 ]    mass: 127.600000    reduced_to: 115  - symbol: Te # 120    coordinates: [  0.623686760000000,  0.875000000000000,  0.923409573333333 ]    mass: 127.600000    reduced_to: 115born_effective_charge:- # 1 (K)  - [  1.675731260000000, -0.002242300000000, -0.129165640000000 ]  - [ -0.005060870000000,  1.412030990000000,  0.017416570000000 ]  - [  0.161344680000000, -0.217340140000000,  1.356352160000000 ]- # 2 (K)  - [  1.675731260000000, -0.002242300000000,  0.129165640000000 ]  - [ -0.005060870000000,  1.412030990000000, -0.017416570000000 ]  - [ -0.161344680000000,  0.217340140000000,  1.356352160000000 ]- # 3 (K)  - [  1.675731260000000,  0.002242300000000, -0.129165640000000 ]  - [  0.005060870000000,  1.412030990000000, -0.017416570000000 ]  - [  0.161344680000000,  0.217340140000000,  1.356352160000000 ]- # 4 (K)  - [  1.675731260000000,  0.002242300000000,  0.129165640000000 ]  - [  0.005060870000000,  1.412030990000000,  0.017416570000000 ]  - [ -0.161344680000000, -0.217340140000000,  1.356352160000000 ]- # 5 (K)  - [  1.675731260000000, -0.002242300000000, -0.129165640000000 ]  - [ -0.005060870000000,  1.412030990000000,  0.017416570000000 ]  - [  0.161344680000000, -0.217340140000000,  1.356352160000000 ]- # 6 (K)  - [  1.675731260000000, -0.002242300000000,  0.129165640000000 ]  - [ -0.005060870000000,  1.412030990000000, -0.017416570000000 ]  - [ -0.161344680000000,  0.217340140000000,  1.356352160000000 ]- # 7 (K)  - [  1.675731260000000,  0.002242300000000, -0.129165640000000 ]  - [  0.005060870000000,  1.412030990000000, -0.017416570000000 ]  - [  0.161344680000000,  0.217340140000000,  1.356352160000000 ]- # 8 (K)  - [  1.675731260000000,  0.002242300000000,  0.129165640000000 ]  - [  0.005060870000000,  1.412030990000000,  0.017416570000000 ]  - [ -0.161344680000000, -0.217340140000000,  1.356352160000000 ]- # 9 (Te)  - [ -3.161005610000000,  0.000000000000000, -0.075079790000000 ]  - [  0.000000000000000, -1.029955460000000,  0.000000000000000 ]  - [ -0.203408120000000,  0.000000000000000, -4.690113410000000 ]- # 10 (Te)  - [ -3.161005610000000,  0.000000000000000,  0.075079790000000 ]  - [  0.000000000000000, -1.029955460000000,  0.000000000000000 ]  - [  0.203408120000000,  0.000000000000000, -4.690113410000000 ]- # 11 (Te)  - [ -3.161005610000000,  0.000000000000000, -0.075079790000000 ]  - [  0.000000000000000, -1.029955460000000,  0.000000000000000 ]  - [ -0.203408120000000,  0.000000000000000, -4.690113410000000 ]- # 12 (Te)  - [ -3.161005610000000,  0.000000000000000,  0.075079790000000 ]  - [  0.000000000000000, -1.029955460000000,  0.000000000000000 ]  - [  0.203408120000000,  0.000000000000000, -4.690113410000000 ]- # 13 (Te)  - [ -3.106884490000000,  0.000000000000000, -0.152942100000000 ]  - [  0.000000000000000, -1.029348490000000,  0.000000000000000 ]  - [ -0.036785530000000,  0.000000000000000, -4.655341920000000 ]- # 14 (Te)  - [ -3.106884490000000,  0.000000000000000,  0.152942100000000 ]  - [  0.000000000000000, -1.029348490000000,  0.000000000000000 ]  - [  0.036785530000000,  0.000000000000000, -4.655341920000000 ]- # 15 (Te)  - [ -3.106884490000000,  0.000000000000000, -0.152942100000000 ]  - [  0.000000000000000, -1.029348490000000,  0.000000000000000 ]  - [ -0.036785530000000,  0.000000000000000, -4.655341920000000 ]- # 16 (Te)  - [ -3.106884490000000,  0.000000000000000,  0.152942100000000 ]  - [  0.000000000000000, -1.029348490000000,  0.000000000000000 ]  - [  0.036785530000000,  0.000000000000000, -4.655341920000000 ]- # 17 (Te)  - [  2.916427580000000,  0.000000000000000,  0.064519330000000 ]  - [  0.000000000000000, -0.764758030000000,  0.000000000000000 ]  - [ -0.050177890000000,  0.000000000000000,  6.632751010000000 ]- # 18 (Te)  - [  2.916427580000000,  0.000000000000000, -0.064519330000000 ]  - [  0.000000000000000, -0.764758030000000,  0.000000000000000 ]  - [  0.050177890000000,  0.000000000000000,  6.632751010000000 ]- # 19 (Te)  - [  2.916427580000000,  0.000000000000000,  0.064519330000000 ]  - [  0.000000000000000, -0.764758030000000,  0.000000000000000 ]  - [ -0.050177890000000,  0.000000000000000,  6.632751010000000 ]- # 20 (Te)  - [  2.916427580000000,  0.000000000000000, -0.064519330000000 ]  - [  0.000000000000000, -0.764758030000000,  0.000000000000000 ]  - [  0.050177890000000,  0.000000000000000,  6.632751010000000 ]dielectric_constant:  - [ 19.051400930000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.006326440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 20.180737810000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0104261900000000,  0.0036506800000000, -0.0035625500000000 ]  - [  -0.0001875500000000,  0.0035111300000000,  0.0004496600000000 ]  - [  -0.0004712000000000,  0.0035144900000000,  0.0004942000000000 ]  - [  -0.0001755700000000,  0.0035101700000000,  0.0004370700000000 ]  - [  -0.0004723500000000,  0.0035185700000000,  0.0005261400000000 ]  - [  -0.0001769400000000,  0.0035069000000000,  0.0004578200000000 ]  - [   0.0001629300000000, -0.0035149200000000,  0.0004415800000000 ]  - [   0.0009711200000000, -0.0037482200000000,  0.0009915500000000 ]  - [   0.0001642700000000, -0.0035129200000000,  0.0004495200000000 ]  - [   0.0009726200000000, -0.0037526200000000, -0.0001170900000000 ]  - [   0.0001611100000000, -0.0035162500000000,  0.0004509700000000 ]  - [   0.0001436000000000, -0.0036165000000000,  0.0004462700000000 ]  - [   0.0002225700000000,  0.0033417600000000, -0.0004971700000000 ]  - [   0.0002224400000000,  0.0035368800000000, -0.0005554300000000 ]  - [   0.0002251500000000,  0.0033523600000000, -0.0003650600000000 ]  - [   0.0002251300000000,  0.0035431700000000, -0.0003456100000000 ]  - [   0.0001503000000000,  0.0034264000000000, -0.0004655300000000 ]  - [   0.0001502400000000,  0.0034774700000000, -0.0004405900000000 ]  - [  -0.0000102400000000, -0.0035113600000000, -0.0004572400000000 ]  - [  -0.0001260500000000, -0.0035128200000000, -0.0004539700000000 ]  - [  -0.0000483300000000, -0.0035050700000000, -0.0004270900000000 ]  - [  -0.0001454000000000, -0.0035090200000000, -0.0004556600000000 ]  - [  -0.0000479800000000, -0.0035074100000000, -0.0004089700000000 ]  - [  -0.0001522400000000, -0.0035114700000000, -0.0004335300000000 ]  - [   0.0001647400000000, -0.0035063900000000, -0.0004644000000000 ]  - [   0.0011021700000000, -0.0032294100000000, -0.0010905400000000 ]  - [   0.0001640000000000, -0.0035059900000000, -0.0004254500000000 ]  - [   0.0009294800000000, -0.0032812900000000,  0.0001486000000000 ]  - [   0.0001608100000000, -0.0035102500000000, -0.0004532400000000 ]  - [   0.0001438800000000, -0.0034031100000000, -0.0004575300000000 ]  - [  -0.0000031300000000,  0.0035118700000000, -0.0004539700000000 ]  - [  -0.0001397700000000,  0.0035126400000000, -0.0004534000000000 ]  - [  -0.0000493600000000,  0.0035001200000000, -0.0004319700000000 ]  - [  -0.0001490800000000,  0.0035080900000000, -0.0004549400000000 ]  - [  -0.0000498200000000,  0.0035143300000000, -0.0004127100000000 ]  - [  -0.0001493200000000,  0.0035100200000000, -0.0004323100000000 ]  - [  -0.0005585000000000, -0.0035103000000000,  0.0004164000000000 ]  - [  -0.0004291300000000, -0.0035127200000000,  0.0004351400000000 ]  - [  -0.0003363500000000, -0.0035123900000000,  0.0004688100000000 ]  - [  -0.0001615400000000, -0.0035091000000000,  0.0004394900000000 ]  - [  -0.0003380600000000, -0.0035148000000000,  0.0004842000000000 ]  - [  -0.0001628900000000, -0.0035131100000000,  0.0004617200000000 ]  - [   0.0002276700000000,  0.0036675300000000,  0.0004929600000000 ]  - [   0.0002207000000000,  0.0034849700000000,  0.0005235900000000 ]  - [   0.0002218500000000,  0.0036675300000000,  0.0004147400000000 ]  - [   0.0002290400000000,  0.0034754100000000,  0.0003738400000000 ]  - [   0.0001507400000000,  0.0036001900000000,  0.0004407200000000 ]  - [   0.0001508400000000,  0.0035432900000000,  0.0004433000000000 ]  - [   0.0024470700000000, -0.0003376000000000,  0.0058524000000000 ]  - [   0.0024754000000000, -0.0000167000000000,  0.0064953700000000 ]  - [   0.0038163400000000, -0.0023268900000000,  0.0087190700000000 ]  - [   0.0024612400000000, -0.0000399600000000,  0.0064789700000000 ]  - [   0.0024791400000000,  0.0000050900000000,  0.0063665400000000 ]  - [   0.0024797800000000,  0.0000026300000000,  0.0064782100000000 ]  - [  -0.0025339200000000, -0.0000441300000000,  0.0064903200000000 ]  - [  -0.0025560100000000,  0.0000254700000000,  0.0064918800000000 ]  - [  -0.0025180100000000, -0.0000284600000000,  0.0064947900000000 ]  - [  -0.0025698800000000,  0.0000377300000000,  0.0065164000000000 ]  - [  -0.0025122500000000, -0.0000238000000000,  0.0064859900000000 ]  - [  -0.0025075600000000,  0.0000219300000000,  0.0065335100000000 ]  - [  -0.0024076600000000,  0.0000743300000000, -0.0064824800000000 ]  - [  -0.0004286200000000,  0.0014155900000000, -0.0063350900000000 ]  - [  -0.0024285300000000,  0.0000314900000000, -0.0064888700000000 ]  - [  -0.0022185700000000, -0.0000589100000000, -0.0062762700000000 ]  - [  -0.0024221800000000,  0.0000548500000000, -0.0064776100000000 ]  - [  -0.0021749800000000, -0.0000033300000000, -0.0065795000000000 ]  - [   0.0023670600000000, -0.0000844200000000, -0.0066586800000000 ]  - [   0.0024736300000000,  0.0000083100000000, -0.0064918900000000 ]  - [   0.0022471600000000, -0.0000236500000000, -0.0063997100000000 ]  - [   0.0024678100000000,  0.0000106400000000, -0.0064835200000000 ]  - [   0.0021314600000000,  0.0000154000000000, -0.0066106100000000 ]  - [   0.0024728900000000, -0.0000018000000000, -0.0064904500000000 ]  - [   0.0000429700000000,  0.0024709900000000, -0.0043810900000000 ]  - [  -0.0015228300000000,  0.0000300400000000, -0.0066698400000000 ]  - [  -0.0017098100000000,  0.0001535800000000, -0.0070329700000000 ]  - [  -0.0015074200000000,  0.0000284600000000, -0.0066552300000000 ]  - [  -0.0015087200000000, -0.0000081400000000, -0.0067901400000000 ]  - [  -0.0015062500000000, -0.0000015000000000, -0.0066693500000000 ]  - [   0.0015767500000000, -0.0000664100000000, -0.0066597100000000 ]  - [   0.0036134700000000, -0.0015523800000000, -0.0068423800000000 ]  - [   0.0015570200000000, -0.0000401500000000, -0.0066612000000000 ]  - [   0.0017618300000000,  0.0000594500000000, -0.0068897000000000 ]  - [   0.0015599200000000, -0.0000429000000000, -0.0066799200000000 ]  - [   0.0018038900000000,  0.0000135800000000, -0.0065839000000000 ]  - [   0.0014534500000000,  0.0000422500000000,  0.0066604500000000 ]  - [   0.0014270100000000, -0.0000276200000000,  0.0066554300000000 ]  - [   0.0014584300000000,  0.0000288000000000,  0.0066567500000000 ]  - [   0.0014092900000000, -0.0000365000000000,  0.0066329100000000 ]  - [   0.0014731500000000,  0.0000239900000000,  0.0066612800000000 ]  - [   0.0014787300000000, -0.0000195000000000,  0.0066160800000000 ]  - [  -0.0017171500000000,  0.0000365100000000,  0.0067545000000000 ]  - [  -0.0015119100000000, -0.0000048100000000,  0.0066719500000000 ]  - [  -0.0016082300000000,  0.0001025600000000,  0.0064857400000000 ]  - [  -0.0015102600000000, -0.0000131900000000,  0.0066597500000000 ]  - [  -0.0018382600000000, -0.0000114700000000,  0.0065551900000000 ]  - [  -0.0015119600000000,  0.0000024200000000,  0.0066556900000000 ]  - [   0.0005578200000000, -0.0000637000000000,  0.0197097800000000 ]  - [  -0.0002675300000000,  0.0000252900000000,  0.0197969900000000 ]  - [   0.0001077300000000, -0.0001905200000000,  0.0197457100000000 ]  - [  -0.0002768500000000,  0.0000063700000000,  0.0197954000000000 ]  - [   0.0000568000000000, -0.0000121000000000,  0.0204629500000000 ]  - [  -0.0002757000000000,  0.0000010700000000,  0.0198246600000000 ]  - [   0.0001991600000000,  0.0000024300000000,  0.0198030700000000 ]  - [  -0.0007214100000000,  0.0000311800000000,  0.0197856300000000 ]  - [   0.0001981100000000,  0.0000005300000000,  0.0198114000000000 ]  - [  -0.0010098800000000, -0.0000299700000000,  0.0198309900000000 ]  - [   0.0002276800000000,  0.0000006600000000,  0.0197998900000000 ]  - [   0.0003591900000000, -0.0000015600000000,  0.0198139900000000 ]  - [   0.0003359100000000, -0.0000016000000000, -0.0198030100000000 ]  - [   0.0003992900000000,  0.0000046400000000, -0.0198088400000000 ]  - [   0.0003401800000000,  0.0000009500000000, -0.0198032900000000 ]  - [   0.0004009800000000, -0.0000006700000000, -0.0197970300000000 ]  - [   0.0003247400000000, -0.0000000800000000, -0.0198001200000000 ]  - [   0.0003251300000000, -0.0000008600000000, -0.0197967600000000 ]  - [   0.0005349800000000,  0.0000497500000000, -0.0198487000000000 ]  - [  -0.0002656400000000, -0.0000268400000000, -0.0198174900000000 ]  - [   0.0000070600000000,  0.0000109200000000, -0.0191837900000000 ]  - [  -0.0002754700000000, -0.0000034500000000, -0.0197804300000000 ]  - [   0.0001214500000000,  0.0001577100000000, -0.0198881700000000 ]  - [  -0.0002780100000000, -0.0000005700000000, -0.0198042200000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0101264600000000,  0.0033866500000000,  0.0044645600000000 ]  - [  -0.0001304600000000,  0.0035137300000000,  0.0004554000000000 ]  - [   0.0001524600000000,  0.0035068000000000,  0.0003712100000000 ]  - [  -0.0001429300000000,  0.0035103400000000,  0.0004317300000000 ]  - [   0.0001514100000000,  0.0034986300000000,  0.0003904400000000 ]  - [  -0.0001443100000000,  0.0035095100000000,  0.0004554300000000 ]  - 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