# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1c753f21-25e4-4626-8fa9-1421aec3bcaa/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 GaAgS2 / I-42d (122) / materials id 5342](https://mdr.nims.go.jp/datasets/c7a41ef0-fb7c-43c2-8a55-a59687c4bca0)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "I-42d"  number: 122  Hall_symbol: "I -4 2bw"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:  - [    -2.823995020000000,     2.823995020000000,     5.228368605000000 ] # a  - [     2.823995020000000,    -2.823995020000000,     5.228368605000000 ] # b  - [     2.823995020000000,     2.823995020000000,    -5.228368605000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.092628830000000,  0.125000000000000,  0.467628830000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.875000000000000,  0.342628830000000,  0.967628830000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.657371170000000,  0.625000000000000,  0.532371170000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.375000000000000,  0.907371170000000,  0.032371170000000 ]    mass: 32.065000  - symbol: Ga # 5    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ag # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200  - symbol: Ag # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.177054136589802,     0.095632125003933 ] # a*  - [     0.177054136589802,     0.000000000000000,     0.095632125003933 ] # b*  - [     0.177054136589802,     0.177054136589802,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.647990040000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.647990040000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.456737210000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.750000000000000,  0.717628830000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.717628830000000,  0.250000000000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.250000000000000,  0.282371170000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.282371170000000,  0.750000000000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.250000000000000,  0.217628830000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.217628830000000,  0.750000000000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 7    coordinates: [  0.750000000000000,  0.782371170000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 8    coordinates: [  0.782371170000000,  0.250000000000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 4  - symbol: Ga # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 10  - symbol: Ga # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 10  - symbol: Ag # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 14  - symbol: Ag # 15    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 14supercell:  lattice:  - [    11.295980080000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.295980080000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.913474420000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.375000000000000,  0.358814415000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.875000000000000,  0.358814415000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.375000000000000,  0.858814415000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.875000000000000,  0.858814415000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.375000000000000,  0.358814415000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.875000000000000,  0.358814415000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 7    coordinates: [  0.375000000000000,  0.858814415000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 8    coordinates: [  0.875000000000000,  0.858814415000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 9    coordinates: [  0.358814415000000,  0.125000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.858814415000000,  0.125000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 11    coordinates: [  0.358814415000000,  0.625000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 12    coordinates: [  0.858814415000000,  0.625000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 13    coordinates: [  0.358814415000000,  0.125000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 14    coordinates: [  0.858814415000000,  0.125000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 15    coordinates: [  0.358814415000000,  0.625000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 16    coordinates: [  0.858814415000000,  0.625000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 17    coordinates: [  0.125000000000000,  0.141185585000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.625000000000000,  0.141185585000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 19    coordinates: [  0.125000000000000,  0.641185585000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 20    coordinates: [  0.625000000000000,  0.641185585000000,  0.187500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 21    coordinates: [  0.125000000000000,  0.141185585000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 22    coordinates: [  0.625000000000000,  0.141185585000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 23    coordinates: [  0.125000000000000,  0.641185585000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 24    coordinates: [  0.625000000000000,  0.641185585000000,  0.687500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 25    coordinates: [  0.141185585000000,  0.375000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.641185585000000,  0.375000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 27    coordinates: [  0.141185585000000,  0.875000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 28    coordinates: [  0.641185585000000,  0.875000000000000,  0.312500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 29    coordinates: [  0.141185585000000,  0.375000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 30    coordinates: [  0.641185585000000,  0.375000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 31    coordinates: [  0.141185585000000,  0.875000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 32    coordinates: [  0.641185585000000,  0.875000000000000,  0.812500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 33    coordinates: [  0.125000000000000,  0.108814415000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 34    coordinates: [  0.625000000000000,  0.108814415000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 35    coordinates: [  0.125000000000000,  0.608814415000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 36    coordinates: [  0.625000000000000,  0.608814415000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 37    coordinates: [  0.125000000000000,  0.108814415000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 38    coordinates: [  0.625000000000000,  0.108814415000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 39    coordinates: [  0.125000000000000,  0.608814415000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 40    coordinates: [  0.625000000000000,  0.608814415000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 41    coordinates: [  0.108814415000000,  0.375000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 42    coordinates: [  0.608814415000000,  0.375000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 43    coordinates: [  0.108814415000000,  0.875000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 44    coordinates: [  0.608814415000000,  0.875000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 45    coordinates: [  0.108814415000000,  0.375000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 46    coordinates: [  0.608814415000000,  0.375000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 47    coordinates: [  0.108814415000000,  0.875000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 48    coordinates: [  0.608814415000000,  0.875000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 49    coordinates: [  0.375000000000000,  0.391185585000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 50    coordinates: [  0.875000000000000,  0.391185585000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 51    coordinates: [  0.375000000000000,  0.891185585000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 52    coordinates: [  0.875000000000000,  0.891185585000000,  0.437500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 53    coordinates: [  0.375000000000000,  0.391185585000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 54    coordinates: [  0.875000000000000,  0.391185585000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 55    coordinates: [  0.375000000000000,  0.891185585000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 56    coordinates: [  0.875000000000000,  0.891185585000000,  0.937500000000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 57    coordinates: [  0.391185585000000,  0.125000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 58    coordinates: [  0.891185585000000,  0.125000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 59    coordinates: [  0.391185585000000,  0.625000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 60    coordinates: [  0.891185585000000,  0.625000000000000,  0.062500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 61    coordinates: [  0.391185585000000,  0.125000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 62    coordinates: [  0.891185585000000,  0.125000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 63    coordinates: [  0.391185585000000,  0.625000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 64    coordinates: [  0.891185585000000,  0.625000000000000,  0.562500000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: Ga # 65    coordinates: [  0.250000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 66    coordinates: [  0.750000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 67    coordinates: [  0.250000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 68    coordinates: [  0.750000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 69    coordinates: [  0.250000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 70    coordinates: [  0.750000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 71    coordinates: [  0.250000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 72    coordinates: [  0.750000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 73    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 74    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 75    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 76    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 77    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 78    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 79    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 80    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 81    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 82    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 83    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 84    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 85    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 86    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 87    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 88    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 92    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 93    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 94    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 95    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 96    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ag # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 105    coordinates: [  0.250000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 106    coordinates: [  0.750000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 107    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 108    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 109    coordinates: [  0.250000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 110    coordinates: [  0.750000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 111    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 112    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 113    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 114    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 115    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 116    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 117    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 118    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 119    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 120    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 121    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 122    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 123    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 124    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 125    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 126    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 127    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 128    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 107.868200    reduced_to: 105born_effective_charge:- # 1 (S)  - [ -2.157969360000000,  0.000000000000000,  0.868506570000000 ]  - [  0.000000000000000, -1.663448410000000,  0.000000000000000 ]  - [  0.787063440000000, -0.000000000000000, -1.946144140000000 ]- # 2 (S)  - [ -1.663448410000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -2.157969360000000,  0.868506570000000 ]  - [  0.000000000000000,  0.787063440000000, -1.946144140000000 ]- # 3 (S)  - [ -2.157969360000000,  0.000000000000000, -0.868506570000000 ]  - [  0.000000000000000, -1.663448410000000, -0.000000000000000 ]  - [ -0.787063440000000,  0.000000000000000, -1.946144140000000 ]- # 4 (S)  - [ -1.663448410000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.157969360000000, -0.868506570000000 ]  - [ -0.000000000000000, -0.787063440000000, -1.946144140000000 ]- # 5 (Ga)  - [  2.705721920000000, -0.210260080000000,  0.000000000000000 ]  - [  0.210260080000000,  2.705721920000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.881450780000000 ]- # 6 (Ga)  - [  2.705721920000000,  0.210260080000000, -0.000000000000000 ]  - [ -0.210260080000000,  2.705721920000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.881450780000000 ]- # 7 (Ag)  - [  1.115695840000000,  0.117209100000000, -0.000000000000000 ]  - [ -0.117209100000000,  1.115695840000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  1.010837490000000 ]- # 8 (Ag)  - [  1.115695840000000, -0.117209100000000,  0.000000000000000 ]  - [  0.117209100000000,  1.115695840000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.010837490000000 ]dielectric_constant:  - [  8.225200330000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  8.225200330000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.741850360000001 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0964765100000000,  0.0003908700000000,  0.0305257200000000 ]  - [   0.0007372400000000,  0.0000398700000000,  0.0000298000000000 ]  - [  -0.0003566600000000,  0.0000417600000000,  0.0005374700000000 ]  - [   0.0009824700000000,  0.0000420000000000, -0.0003133400000000 ]  - [   0.0000934400000000,  0.0000390300000000, -0.0001414000000000 ]  - [   0.0000469900000000,  0.0000378900000000, -0.0001309500000000 ]  - 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[  -0.0000095900000000, -0.0000043100000000,  0.0000244700000000 ]  - [   0.0000361900000000, -0.0000374200000000,  0.0001154400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0961437300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003892700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003583100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010191000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000119900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000273100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000033700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000782700000000,  0.0000000000000000 ]  - [   0.0023167500000000,  0.0033913900000000, -0.0038457600000000 ]  - [   0.0000348300000000,  0.0001350700000000, -0.0003287800000000 ]  - [  -0.0013732500000000,  0.0034642800000000,  0.0031598000000000 ]  - 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