# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8646e57d-0c9e-4ccc-bb4c-f877d1c33f4d/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 Li3Sb / P6_3/mmc (194) / materials id 7955](https://mdr.nims.go.jp/datasets/bfc08ed3-27d4-4f58-8309-212a5f60956d)

## 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: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.642114940000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.321057470000000,     4.020189459999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.248864520000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.087695560000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.587695560000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.412304440000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.912304440000000 ]    mass: 6.941000  - symbol: Sb # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 121.760000  - symbol: Sb # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.215419052075432,     0.124372247869134,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.248744495738268,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.121228806410315 ] # c*unit_cell:  lattice:  - [     4.642114940000000,    -0.000000000000000,    -0.000000000000000 ] # a  - [    -2.321057470000000,     4.020189460000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.248864520000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.087695560000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.587695560000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.412304440000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.912304440000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Sb # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 7  - symbol: Sb # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 8supercell:  lattice:  - [    13.926344820000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.963172410000000,    12.060568379999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.497729039999999 ] # c  points:  - symbol: Li # 1    coordinates: [  0.111111110000000,  0.222222223333333,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.444444443333333,  0.222222223333333,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.777777776666667,  0.222222223333333,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.111111110000000,  0.555555556666667,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.444444443333333,  0.555555556666667,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.777777776666667,  0.555555556666667,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.111111110000000,  0.888888890000000,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.444444443333333,  0.888888890000000,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.777777776666667,  0.888888890000000,  0.043847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.111111110000000,  0.222222223333333,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.444444443333333,  0.222222223333333,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.777777776666667,  0.222222223333333,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 13    coordinates: [  0.111111110000000,  0.555555556666667,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.444444443333333,  0.555555556666667,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 15    coordinates: [  0.777777776666667,  0.555555556666667,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 16    coordinates: [  0.111111110000000,  0.888888890000000,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 17    coordinates: [  0.444444443333333,  0.888888890000000,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.777777776666667,  0.888888890000000,  0.543847780000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 19    coordinates: [  0.222222223333333,  0.111111110000000,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 20    coordinates: [  0.555555556666667,  0.111111110000000,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 21    coordinates: [  0.888888890000000,  0.111111110000000,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 22    coordinates: [  0.222222223333333,  0.444444443333333,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 23    coordinates: [  0.555555556666667,  0.444444443333333,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 24    coordinates: [  0.888888890000000,  0.444444443333333,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 25    coordinates: [  0.222222223333333,  0.777777776666667,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 26    coordinates: [  0.555555556666667,  0.777777776666667,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 27    coordinates: [  0.888888890000000,  0.777777776666667,  0.293847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 28    coordinates: [  0.222222223333333,  0.111111110000000,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 29    coordinates: [  0.555555556666667,  0.111111110000000,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 30    coordinates: [  0.888888890000000,  0.111111110000000,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 31    coordinates: [  0.222222223333333,  0.444444443333333,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 32    coordinates: [  0.555555556666667,  0.444444443333333,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 33    coordinates: [  0.888888890000000,  0.444444443333333,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 34    coordinates: [  0.222222223333333,  0.777777776666667,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 35    coordinates: [  0.555555556666667,  0.777777776666667,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 36    coordinates: [  0.888888890000000,  0.777777776666667,  0.793847780000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.375000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.875000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 65    coordinates: [  0.333333333333333,  0.000000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 66    coordinates: [  0.666666666666667,  0.000000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 67    coordinates: [  0.000000000000000,  0.333333333333333,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 68    coordinates: [  0.333333333333333,  0.333333333333333,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 69    coordinates: [  0.666666666666667,  0.333333333333333,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 70    coordinates: [  0.000000000000000,  0.666666666666667,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 71    coordinates: [  0.333333333333333,  0.666666666666667,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 72    coordinates: [  0.666666666666667,  0.666666666666667,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 73    coordinates: [  0.111111110000000,  0.222222223333333,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 74    coordinates: [  0.444444443333333,  0.222222223333333,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 75    coordinates: [  0.777777776666667,  0.222222223333333,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 76    coordinates: [  0.111111110000000,  0.555555556666667,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 77    coordinates: [  0.444444443333333,  0.555555556666667,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 78    coordinates: [  0.777777776666667,  0.555555556666667,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 79    coordinates: [  0.111111110000000,  0.888888890000000,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 80    coordinates: [  0.444444443333333,  0.888888890000000,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 81    coordinates: [  0.777777776666667,  0.888888890000000,  0.206152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 82    coordinates: [  0.111111110000000,  0.222222223333333,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 83    coordinates: [  0.444444443333333,  0.222222223333333,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 84    coordinates: [  0.777777776666667,  0.222222223333333,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 85    coordinates: [  0.111111110000000,  0.555555556666667,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 86    coordinates: [  0.444444443333333,  0.555555556666667,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 87    coordinates: [  0.777777776666667,  0.555555556666667,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 88    coordinates: [  0.111111110000000,  0.888888890000000,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 89    coordinates: [  0.444444443333333,  0.888888890000000,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 90    coordinates: [  0.777777776666667,  0.888888890000000,  0.706152220000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 91    coordinates: [  0.222222223333333,  0.111111110000000,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 92    coordinates: [  0.555555556666667,  0.111111110000000,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 93    coordinates: [  0.888888890000000,  0.111111110000000,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 94    coordinates: [  0.222222223333333,  0.444444443333333,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 95    coordinates: [  0.555555556666667,  0.444444443333333,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 96    coordinates: [  0.888888890000000,  0.444444443333333,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 97    coordinates: [  0.222222223333333,  0.777777776666667,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 98    coordinates: [  0.555555556666667,  0.777777776666667,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 99    coordinates: [  0.888888890000000,  0.777777776666667,  0.456152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 100    coordinates: [  0.222222223333333,  0.111111110000000,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 101    coordinates: [  0.555555556666667,  0.111111110000000,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 102    coordinates: [  0.888888890000000,  0.111111110000000,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 103    coordinates: [  0.222222223333333,  0.444444443333333,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Li # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.956152220000000 ]    mass: 6.941000    reduced_to: 91  - symbol: Sb # 109    coordinates: [  0.222222223333333,  0.111111110000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 110    coordinates: [  0.555555556666667,  0.111111110000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 111    coordinates: [  0.888888890000000,  0.111111110000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 112    coordinates: [  0.222222223333333,  0.444444443333333,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 113    coordinates: [  0.555555556666667,  0.444444443333333,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 114    coordinates: [  0.888888890000000,  0.444444443333333,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 115    coordinates: [  0.222222223333333,  0.777777776666667,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 116    coordinates: [  0.555555556666667,  0.777777776666667,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 117    coordinates: [  0.888888890000000,  0.777777776666667,  0.125000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 118    coordinates: [  0.222222223333333,  0.111111110000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 119    coordinates: [  0.555555556666667,  0.111111110000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 120    coordinates: [  0.888888890000000,  0.111111110000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 121    coordinates: [  0.222222223333333,  0.444444443333333,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 122    coordinates: [  0.555555556666667,  0.444444443333333,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 123    coordinates: [  0.888888890000000,  0.444444443333333,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 124    coordinates: [  0.222222223333333,  0.777777776666667,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 125    coordinates: [  0.555555556666667,  0.777777776666667,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 126    coordinates: [  0.888888890000000,  0.777777776666667,  0.625000000000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 127    coordinates: [  0.111111110000000,  0.222222223333333,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 128    coordinates: [  0.444444443333333,  0.222222223333333,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 129    coordinates: [  0.777777776666667,  0.222222223333333,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 130    coordinates: [  0.111111110000000,  0.555555556666667,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 131    coordinates: [  0.444444443333333,  0.555555556666667,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 132    coordinates: [  0.777777776666667,  0.555555556666667,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 133    coordinates: [  0.111111110000000,  0.888888890000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 134    coordinates: [  0.444444443333333,  0.888888890000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 135    coordinates: [  0.777777776666667,  0.888888890000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 136    coordinates: [  0.111111110000000,  0.222222223333333,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 137    coordinates: [  0.444444443333333,  0.222222223333333,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 138    coordinates: [  0.777777776666667,  0.222222223333333,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 139    coordinates: [  0.111111110000000,  0.555555556666667,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 140    coordinates: [  0.444444443333333,  0.555555556666667,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 141    coordinates: [  0.777777776666667,  0.555555556666667,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 142    coordinates: [  0.111111110000000,  0.888888890000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 143    coordinates: [  0.444444443333333,  0.888888890000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127  - symbol: Sb # 144    coordinates: [  0.777777776666667,  0.888888890000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 127born_effective_charge:- # 1 (Li)  - [  0.832700500000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.832700500000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.103460840000000 ]- # 2 (Li)  - [  0.832700500000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.832700500000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.103460840000000 ]- # 3 (Li)  - [  1.063423360000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.063423360000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.360566260000000 ]- # 4 (Li)  - [  1.063423360000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.063423360000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.360566260000000 ]- # 5 (Li)  - [  0.832700500000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.832700500000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.103460840000000 ]- # 6 (Li)  - [  0.832700500000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.832700500000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.103460840000000 ]- # 7 (Sb)  - [ -2.728824350000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.728824350000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.567487940000000 ]- # 8 (Sb)  - [ -2.728824350000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.728824350000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.567487940000000 ]dielectric_constant:  - [  9.178939620000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  9.178939620000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.859671720000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0155485300000000,  0.0000840400000000, -0.0007019200000000 ]  - [   0.0003827800000000,  0.0001695200000000, -0.0007703100000000 ]  - [   0.0003777100000000, -0.0001802100000000, -0.0004571000000000 ]  - [  -0.0000965300000000, -0.0001035100000000, -0.0007357500000000 ]  - [  -0.0001031000000000,  0.0000990100000000, -0.0005098900000000 ]  - [   0.0001418400000000, -0.0000022700000000, -0.0006121600000000 ]  - [  -0.0000971100000000, -0.0004552500000000, -0.0008735000000000 ]  - [   0.0001419300000000, -0.0000024600000000, -0.0006148600000000 ]  - [  -0.0001014600000000,  0.0004477200000000, -0.0003490400000000 ]  - [   0.0000714600000000, -0.0000003700000000, -0.0006143800000000 ]  - [  -0.0000232200000000, -0.0000383300000000, -0.0005641400000000 ]  - [  -0.0000264600000000,  0.0000337300000000, -0.0006660700000000 ]  - [   0.0000076600000000, -0.0000190300000000, -0.0005912600000000 ]  - [   0.0000089800000000,  0.0000137500000000, -0.0006436900000000 ]  - [   0.0000140400000000, -0.0000040700000000, -0.0006129500000000 ]  - [   0.0000106500000000,  0.0000504600000000, -0.0005344900000000 ]  - [   0.0000135300000000, -0.0000001700000000, -0.0006140700000000 ]  - [   0.0000076900000000, -0.0000586500000000, -0.0006906700000000 ]  - [  -0.0001160600000000,  0.0001565600000000, -0.0000168800000000 ]  - [   0.0000461800000000,  0.0000027600000000, -0.0006079700000000 ]  - [  -0.0001197700000000, -0.0001547900000000, -0.0012074700000000 ]  - [   0.0001508300000000,  0.0000021900000000, -0.0006173600000000 ]  - [  -0.0000276600000000,  0.0000433200000000, -0.0005944500000000 ]  - [  -0.0000291400000000, -0.0000354800000000, -0.0006382300000000 ]  - [   0.0000442100000000,  0.0000037600000000, -0.0005560000000000 ]  - [   0.0000496900000000,  0.0000030100000000, -0.0006704700000000 ]  - [  -0.0000973400000000,  0.0000017500000000, -0.0006197500000000 ]  - [  -0.0001216100000000,  0.0001577300000000, -0.0007590800000000 ]  - [   0.0000469600000000,  0.0000076000000000, -0.0006077000000000 ]  - [  -0.0001140100000000, -0.0001522900000000, -0.0004634600000000 ]  - [   0.0001513300000000,  0.0000019900000000, -0.0006159200000000 ]  - [  -0.0000259100000000,  0.0000398100000000, -0.0006220400000000 ]  - [  -0.0000297800000000, -0.0000373300000000, -0.0006089100000000 ]  - [   0.0000462900000000,  0.0000000200000000, -0.0006044700000000 ]  - [   0.0000459800000000, -0.0000001200000000, -0.0006188500000000 ]  - [  -0.0000945500000000,  0.0000052000000000, -0.0006125200000000 ]  - [  -0.0001510000000000,  0.0000050900000000, -0.0000001400000000 ]  - [   0.0000887200000000, -0.0000272400000000,  0.0001076100000000 ]  - [   0.0000876900000000,  0.0000366700000000, -0.0001034100000000 ]  - [  -0.0000507200000000, -0.0000511300000000, -0.0000536500000000 ]  - 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[   0.0000604900000000, -0.0000369900000000,  0.0001199300000000 ]  - [   0.0000134700000000, -0.0000044400000000, -0.0000036800000000 ]  - [   0.0001082600000000,  0.0002298700000000, -0.0003843800000000 ]  - [  -0.0001368500000000,  0.0000108900000000,  0.0000103900000000 ]  - [   0.0000968200000000, -0.0002278100000000,  0.0003780100000000 ]  - [   0.0012921900000000, -0.0000086500000000,  0.0000130700000000 ]  - [  -0.0000768900000000, -0.0000881500000000,  0.0002268100000000 ]  - [  -0.0000915600000000,  0.0000869700000000, -0.0002276300000000 ]  - [   0.0000362200000000,  0.0000210300000000,  0.0000276300000000 ]  - [   0.0000189600000000, -0.0000068000000000, -0.0000248700000000 ]  - [  -0.0000196000000000, -0.0000044600000000,  0.0000118900000000 ]  - [   0.0000553900000000,  0.0001313700000000,  0.0002501300000000 ]  - [  -0.0000893900000000, -0.0000120900000000,  0.0000120200000000 ]  - [   0.0000638600000000, -0.0001358600000000, -0.0002514500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000000000000000, -0.0315563700000000 ]  - [   0.0001578400000000,  0.0002199600000000, -0.0009415400000000 ]  - [  -0.0001578400000000,  0.0002199600000000, -0.0009415400000000 ]  - [  -0.0002694100000000,  0.0000267100000000, -0.0009415400000000 ]  - [   0.0002694100000000,  0.0000267100000000, -0.0009415400000000 ]  - [   0.0000000000000000, -0.0000000000000000, -0.0007791100000000 ]  - [  -0.0001115800000000, -0.0002466700000000, -0.0009415400000000 ]  - [  -0.0000000000000000, -0.0000000000000000, -0.0007792800000000 ]  - [   0.0001115800000000, -0.0002466700000000, -0.0009415400000000 ]  - [   0.0000000000000000, -0.0000000000000000, -0.0004150600000000 ]  - [  -0.0000462300000000, -0.0000581200000000, -0.0005491500000000 ]  - [   0.0000462300000000, -0.0000581200000000, -0.0005491500000000 ]  - [   0.0000734400000000, -0.0000109700000000, -0.0005491500000000 ]  - [  -0.0000734400000000, -0.0000109700000000, -0.0005491500000000 ]  - [  -0.0000000000000000, -0.0000000000000000, -0.0005419400000000 ]  - 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