# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e560199f-d663-43c2-a1cf-a230824f78f2/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 GaTeCl / Pnnm (58) / materials id 27449](https://mdr.nims.go.jp/datasets/73923adb-5a1e-4e1c-86da-607bde607dd1)

## 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: "Pnnm"  number: 58  Hall_symbol: "-P 2 2n"supercell_matrix:- [   3,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   4 ]primitive_cell:  lattice:  - [     5.778870809999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.626168470000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.092477880000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.231951320000000,  0.924082190000000,  0.500000000000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.731951320000000,  0.575917810000000,  0.000000000000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.768048680000000,  0.075917810000000,  0.500000000000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.268048680000000,  0.424082190000000,  0.000000000000000 ]    mass: 35.453000  - symbol: Ga # 5    coordinates: [  0.517896570000000,  0.188463610000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 6    coordinates: [  0.982103430000000,  0.688463610000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 7    coordinates: [  0.017896570000000,  0.311536390000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 8    coordinates: [  0.482103430000000,  0.811536390000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Te # 9    coordinates: [  0.259838130000000,  0.654789380000000,  0.500000000000000 ]    mass: 127.600000  - symbol: Te # 10    coordinates: [  0.759838130000000,  0.845210620000000,  0.000000000000000 ]    mass: 127.600000  - symbol: Te # 11    coordinates: [  0.240161870000000,  0.154789380000000,  0.000000000000000 ]    mass: 127.600000  - symbol: Te # 12    coordinates: [  0.740161870000000,  0.345210620000000,  0.500000000000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.173044186810606,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.068370605880215,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.244350740388119 ] # c*unit_cell:  lattice:  - [     5.778870810000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.626168470000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.092477880000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.231951320000000,  0.924082190000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.731951320000000,  0.575917810000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.768048680000000,  0.075917810000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.268048680000000,  0.424082190000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Ga # 5    coordinates: [  0.517896570000000,  0.188463610000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 6    coordinates: [  0.982103430000000,  0.688463610000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 6  - symbol: Ga # 7    coordinates: [  0.017896570000000,  0.311536390000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 7  - symbol: Ga # 8    coordinates: [  0.482103430000000,  0.811536390000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.259838130000000,  0.654789380000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.759838130000000,  0.845210620000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.240161870000000,  0.154789380000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 12    coordinates: [  0.740161870000000,  0.345210620000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 12supercell:  lattice:  - [    17.336612429999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.626168470000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.369911519999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.077317106666667,  0.924082190000000,  0.125000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.410650440000000,  0.924082190000000,  0.125000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 3    coordinates: [  0.743983773333333,  0.924082190000000,  0.125000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 4    coordinates: [  0.077317106666667,  0.924082190000000,  0.375000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 5    coordinates: [  0.410650440000000,  0.924082190000000,  0.375000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 6    coordinates: [  0.743983773333333,  0.924082190000000,  0.375000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 7    coordinates: [  0.077317106666667,  0.924082190000000,  0.625000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 8    coordinates: [  0.410650440000000,  0.924082190000000,  0.625000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 9    coordinates: [  0.743983773333333,  0.924082190000000,  0.625000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 10    coordinates: [  0.077317106666667,  0.924082190000000,  0.875000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 11    coordinates: [  0.410650440000000,  0.924082190000000,  0.875000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 12    coordinates: [  0.743983773333333,  0.924082190000000,  0.875000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 13    coordinates: [  0.243983773333333,  0.575917810000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.577317106666667,  0.575917810000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 15    coordinates: [  0.910650440000000,  0.575917810000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 16    coordinates: [  0.243983773333333,  0.575917810000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 17    coordinates: [  0.577317106666667,  0.575917810000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 18    coordinates: [  0.910650440000000,  0.575917810000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 19    coordinates: [  0.243983773333333,  0.575917810000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 20    coordinates: [  0.577317106666667,  0.575917810000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 21    coordinates: [  0.910650440000000,  0.575917810000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 22    coordinates: [  0.243983773333333,  0.575917810000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 23    coordinates: [  0.577317106666667,  0.575917810000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 24    coordinates: [  0.910650440000000,  0.575917810000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 25    coordinates: [  0.256016226666667,  0.075917810000000,  0.125000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 26    coordinates: [  0.589349560000000,  0.075917810000000,  0.125000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 27    coordinates: [  0.922682893333333,  0.075917810000000,  0.125000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 28    coordinates: [  0.256016226666667,  0.075917810000000,  0.375000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 29    coordinates: [  0.589349560000000,  0.075917810000000,  0.375000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 30    coordinates: [  0.922682893333333,  0.075917810000000,  0.375000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 31    coordinates: [  0.256016226666667,  0.075917810000000,  0.625000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 32    coordinates: [  0.589349560000000,  0.075917810000000,  0.625000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 33    coordinates: [  0.922682893333333,  0.075917810000000,  0.625000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 34    coordinates: [  0.256016226666667,  0.075917810000000,  0.875000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 35    coordinates: [  0.589349560000000,  0.075917810000000,  0.875000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 36    coordinates: [  0.922682893333333,  0.075917810000000,  0.875000000000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 37    coordinates: [  0.089349560000000,  0.424082190000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 38    coordinates: [  0.422682893333333,  0.424082190000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 39    coordinates: [  0.756016226666667,  0.424082190000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 40    coordinates: [  0.089349560000000,  0.424082190000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 41    coordinates: [  0.422682893333333,  0.424082190000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 42    coordinates: [  0.756016226666667,  0.424082190000000,  0.250000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 43    coordinates: [  0.089349560000000,  0.424082190000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 44    coordinates: [  0.422682893333333,  0.424082190000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 45    coordinates: [  0.756016226666667,  0.424082190000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 46    coordinates: [  0.089349560000000,  0.424082190000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 47    coordinates: [  0.422682893333333,  0.424082190000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 48    coordinates: [  0.756016226666667,  0.424082190000000,  0.750000000000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Ga # 49    coordinates: [  0.172632190000000,  0.188463610000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 50    coordinates: [  0.505965523333333,  0.188463610000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 51    coordinates: [  0.839298856666667,  0.188463610000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 52    coordinates: [  0.172632190000000,  0.188463610000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 53    coordinates: [  0.505965523333333,  0.188463610000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 54    coordinates: [  0.839298856666667,  0.188463610000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 55    coordinates: [  0.172632190000000,  0.188463610000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 56    coordinates: [  0.505965523333333,  0.188463610000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 57    coordinates: [  0.839298856666667,  0.188463610000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 58    coordinates: [  0.172632190000000,  0.188463610000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 59    coordinates: [  0.505965523333333,  0.188463610000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 60    coordinates: [  0.839298856666667,  0.188463610000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 61    coordinates: [  0.327367810000000,  0.688463610000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 62    coordinates: [  0.660701143333333,  0.688463610000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 63    coordinates: [  0.994034476666667,  0.688463610000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 64    coordinates: [  0.327367810000000,  0.688463610000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 65    coordinates: [  0.660701143333333,  0.688463610000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 66    coordinates: [  0.994034476666667,  0.688463610000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 67    coordinates: [  0.327367810000000,  0.688463610000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 68    coordinates: [  0.660701143333333,  0.688463610000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 69    coordinates: [  0.994034476666667,  0.688463610000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 70    coordinates: [  0.327367810000000,  0.688463610000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 71    coordinates: [  0.660701143333333,  0.688463610000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 72    coordinates: [  0.994034476666667,  0.688463610000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 73    coordinates: [  0.005965523333333,  0.311536390000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 74    coordinates: [  0.339298856666667,  0.311536390000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 75    coordinates: [  0.672632190000000,  0.311536390000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 76    coordinates: [  0.005965523333333,  0.311536390000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 77    coordinates: [  0.339298856666667,  0.311536390000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 78    coordinates: [  0.672632190000000,  0.311536390000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 79    coordinates: [  0.005965523333333,  0.311536390000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 80    coordinates: [  0.339298856666667,  0.311536390000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 81    coordinates: [  0.672632190000000,  0.311536390000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 82    coordinates: [  0.005965523333333,  0.311536390000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 83    coordinates: [  0.339298856666667,  0.311536390000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 84    coordinates: [  0.672632190000000,  0.311536390000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 85    coordinates: [  0.160701143333333,  0.811536390000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 86    coordinates: [  0.494034476666667,  0.811536390000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 87    coordinates: [  0.827367810000000,  0.811536390000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 88    coordinates: [  0.160701143333333,  0.811536390000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 89    coordinates: [  0.494034476666667,  0.811536390000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 90    coordinates: [  0.827367810000000,  0.811536390000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 91    coordinates: [  0.160701143333333,  0.811536390000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 92    coordinates: [  0.494034476666667,  0.811536390000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 93    coordinates: [  0.827367810000000,  0.811536390000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 94    coordinates: [  0.160701143333333,  0.811536390000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 95    coordinates: [  0.494034476666667,  0.811536390000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Ga # 96    coordinates: [  0.827367810000000,  0.811536390000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 85  - symbol: Te # 97    coordinates: [  0.086612710000000,  0.654789380000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 98    coordinates: [  0.419946043333333,  0.654789380000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 99    coordinates: [  0.753279376666667,  0.654789380000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 100    coordinates: [  0.086612710000000,  0.654789380000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 101    coordinates: [  0.419946043333333,  0.654789380000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 102    coordinates: [  0.753279376666667,  0.654789380000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 103    coordinates: [  0.086612710000000,  0.654789380000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 104    coordinates: [  0.419946043333333,  0.654789380000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 105    coordinates: [  0.753279376666667,  0.654789380000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 106    coordinates: [  0.086612710000000,  0.654789380000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 107    coordinates: [  0.419946043333333,  0.654789380000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 108    coordinates: [  0.753279376666667,  0.654789380000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 109    coordinates: [  0.253279376666667,  0.845210620000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 110    coordinates: [  0.586612710000000,  0.845210620000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 111    coordinates: [  0.919946043333333,  0.845210620000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 112    coordinates: [  0.253279376666667,  0.845210620000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 113    coordinates: [  0.586612710000000,  0.845210620000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 114    coordinates: [  0.919946043333333,  0.845210620000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 115    coordinates: [  0.253279376666667,  0.845210620000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 116    coordinates: [  0.586612710000000,  0.845210620000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 117    coordinates: [  0.919946043333333,  0.845210620000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 118    coordinates: [  0.253279376666667,  0.845210620000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 119    coordinates: [  0.586612710000000,  0.845210620000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 120    coordinates: [  0.919946043333333,  0.845210620000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 121    coordinates: [  0.080053956666667,  0.154789380000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 122    coordinates: [  0.413387290000000,  0.154789380000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 123    coordinates: [  0.746720623333333,  0.154789380000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 124    coordinates: [  0.080053956666667,  0.154789380000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 125    coordinates: [  0.413387290000000,  0.154789380000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 126    coordinates: [  0.746720623333333,  0.154789380000000,  0.250000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 127    coordinates: [  0.080053956666667,  0.154789380000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 128    coordinates: [  0.413387290000000,  0.154789380000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 129    coordinates: [  0.746720623333333,  0.154789380000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 130    coordinates: [  0.080053956666667,  0.154789380000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 131    coordinates: [  0.413387290000000,  0.154789380000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 132    coordinates: [  0.746720623333333,  0.154789380000000,  0.750000000000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 133    coordinates: [  0.246720623333333,  0.345210620000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 134    coordinates: [  0.580053956666667,  0.345210620000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 135    coordinates: [  0.913387290000000,  0.345210620000000,  0.125000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 136    coordinates: [  0.246720623333333,  0.345210620000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 137    coordinates: [  0.580053956666667,  0.345210620000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 138    coordinates: [  0.913387290000000,  0.345210620000000,  0.375000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 139    coordinates: [  0.246720623333333,  0.345210620000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 140    coordinates: [  0.580053956666667,  0.345210620000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 141    coordinates: [  0.913387290000000,  0.345210620000000,  0.625000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 142    coordinates: [  0.246720623333333,  0.345210620000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 143    coordinates: [  0.580053956666667,  0.345210620000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 144    coordinates: [  0.913387290000000,  0.345210620000000,  0.875000000000000 ]    mass: 127.600000    reduced_to: 133born_effective_charge:- # 1 (Cl)  - [ -1.796479400000000,  0.408803920000000,  0.000000000000000 ]  - [  0.524730710000000, -1.484356100000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.815173890000000 ]- # 2 (Cl)  - [ -1.796479400000000, -0.408803920000000,  0.000000000000000 ]  - [ -0.524730710000000, -1.484356100000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.815173890000000 ]- # 3 (Cl)  - [ -1.796479400000000,  0.408803920000000,  0.000000000000000 ]  - [  0.524730710000000, -1.484356100000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.815173890000000 ]- # 4 (Cl)  - [ -1.796479400000000, -0.408803920000000,  0.000000000000000 ]  - [ -0.524730710000000, -1.484356100000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.815173890000000 ]- # 5 (Ga)  - [  2.666400410000000,  0.577024600000000,  0.000000000000000 ]  - [ -0.381438890000000,  1.615035110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.939936440000000 ]- # 6 (Ga)  - [  2.666400410000000, -0.577024600000000,  0.000000000000000 ]  - [  0.381438890000000,  1.615035110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.939936440000000 ]- # 7 (Ga)  - [  2.666400410000000, -0.577024600000000,  0.000000000000000 ]  - [  0.381438890000000,  1.615035110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.939936440000000 ]- # 8 (Ga)  - [  2.666400410000000,  0.577024600000000,  0.000000000000000 ]  - [ -0.381438890000000,  1.615035110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.939936440000000 ]- # 9 (Te)  - [ -0.869921010000000, -0.311532520000000,  0.000000000000000 ]  - [ -0.374996710000000, -0.130679010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.124762540000000 ]- # 10 (Te)  - [ -0.869921010000000,  0.311532520000000,  0.000000000000000 ]  - [  0.374996710000000, -0.130679010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.124762540000000 ]- # 11 (Te)  - [ -0.869921010000000,  0.311532520000000,  0.000000000000000 ]  - [  0.374996710000000, -0.130679010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.124762540000000 ]- # 12 (Te)  - [ -0.869921010000000, -0.311532520000000,  0.000000000000000 ]  - [ -0.374996710000000, -0.130679010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.124762540000000 ]dielectric_constant:  - [  6.482702640000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.794222410000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.782076379999999 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - 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