# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a31550d9-09b9-4013-9eef-bf847a0de00a/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 Na2AgSb / Cmcm (63) / materials id 7392](https://mdr.nims.go.jp/datasets/ae083fdf-e168-4e01-8548-67eb6bcaa399)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.583844755000000,    -3.856688590000000,     0.000000000000000 ] # a  - [     4.583844755000000,     3.856688590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.749353990000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.669447780000000,  0.973707220000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.330552220000000,  0.026292780000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 3    coordinates: [  0.026292780000000,  0.330552220000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Na # 4    coordinates: [  0.973707220000000,  0.669447780000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Ag # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200  - symbol: Ag # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200  - symbol: Sb # 7    coordinates: [  0.206216920000000,  0.793783080000000,  0.750000000000000 ]    mass: 121.760000  - symbol: Sb # 8    coordinates: [  0.793783080000000,  0.206216920000000,  0.250000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.109078737768029,    -0.129644898293435,     0.000000000000000 ] # a*  - [     0.109078737768029,     0.129644898293435,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.173932584728532 ] # c*unit_cell:  lattice:  - [     9.167689510000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.713377180000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.749353990000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.321577500000000,  0.652129720000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.678422500000000,  0.347870280000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.678422500000000,  0.652129720000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.321577500000000,  0.347870280000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.821577500000000,  0.152129720000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.178422500000000,  0.847870280000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 7    coordinates: [  0.178422500000000,  0.152129720000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 8    coordinates: [  0.821577500000000,  0.847870280000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Ag # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Ag # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Sb # 13    coordinates: [  0.000000000000000,  0.793783080000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.000000000000000,  0.206216920000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.500000000000000,  0.293783080000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 16    coordinates: [  0.500000000000000,  0.706216920000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 14supercell:  lattice:  - [    18.335379020000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.426754360000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.498707980000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.160788750000000,  0.326064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.660788750000000,  0.326064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 3    coordinates: [  0.160788750000000,  0.826064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 4    coordinates: [  0.660788750000000,  0.826064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 5    coordinates: [  0.160788750000000,  0.326064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.660788750000000,  0.326064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 7    coordinates: [  0.160788750000000,  0.826064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 8    coordinates: [  0.660788750000000,  0.826064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 9    coordinates: [  0.339211250000000,  0.173935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.839211250000000,  0.173935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 11    coordinates: [  0.339211250000000,  0.673935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 12    coordinates: [  0.839211250000000,  0.673935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 13    coordinates: [  0.339211250000000,  0.173935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 14    coordinates: [  0.839211250000000,  0.173935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 15    coordinates: [  0.339211250000000,  0.673935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 16    coordinates: [  0.839211250000000,  0.673935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 17    coordinates: [  0.339211250000000,  0.326064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 18    coordinates: [  0.839211250000000,  0.326064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 19    coordinates: [  0.339211250000000,  0.826064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 20    coordinates: [  0.839211250000000,  0.826064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 21    coordinates: [  0.339211250000000,  0.326064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 22    coordinates: [  0.839211250000000,  0.326064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 23    coordinates: [  0.339211250000000,  0.826064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 24    coordinates: [  0.839211250000000,  0.826064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 25    coordinates: [  0.160788750000000,  0.173935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.660788750000000,  0.173935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 27    coordinates: [  0.160788750000000,  0.673935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 28    coordinates: [  0.660788750000000,  0.673935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 29    coordinates: [  0.160788750000000,  0.173935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 30    coordinates: [  0.660788750000000,  0.173935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 31    coordinates: [  0.160788750000000,  0.673935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 32    coordinates: [  0.660788750000000,  0.673935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 33    coordinates: [  0.410788750000000,  0.076064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 34    coordinates: [  0.910788750000000,  0.076064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 35    coordinates: [  0.410788750000000,  0.576064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 36    coordinates: [  0.910788750000000,  0.576064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 37    coordinates: [  0.410788750000000,  0.076064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 38    coordinates: [  0.910788750000000,  0.076064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 39    coordinates: [  0.410788750000000,  0.576064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 40    coordinates: [  0.910788750000000,  0.576064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 41    coordinates: [  0.089211250000000,  0.423935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 42    coordinates: [  0.589211250000000,  0.423935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 43    coordinates: [  0.089211250000000,  0.923935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 44    coordinates: [  0.589211250000000,  0.923935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 45    coordinates: [  0.089211250000000,  0.423935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 46    coordinates: [  0.589211250000000,  0.423935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 47    coordinates: [  0.089211250000000,  0.923935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 48    coordinates: [  0.589211250000000,  0.923935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 49    coordinates: [  0.089211250000000,  0.076064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 50    coordinates: [  0.589211250000000,  0.076064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 51    coordinates: [  0.089211250000000,  0.576064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 52    coordinates: [  0.589211250000000,  0.576064860000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 53    coordinates: [  0.089211250000000,  0.076064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 54    coordinates: [  0.589211250000000,  0.076064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 55    coordinates: [  0.089211250000000,  0.576064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 56    coordinates: [  0.589211250000000,  0.576064860000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 57    coordinates: [  0.410788750000000,  0.423935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 58    coordinates: [  0.910788750000000,  0.423935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 59    coordinates: [  0.410788750000000,  0.923935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 60    coordinates: [  0.910788750000000,  0.923935140000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 61    coordinates: [  0.410788750000000,  0.423935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 62    coordinates: [  0.910788750000000,  0.423935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 63    coordinates: [  0.410788750000000,  0.923935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 64    coordinates: [  0.910788750000000,  0.923935140000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Ag # 65    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 66    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 67    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 68    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 69    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 70    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 71    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 72    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 73    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 74    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 75    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 76    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 78    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 79    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 80    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 81    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 82    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 83    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 84    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 85    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 86    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 87    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 88    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 65  - symbol: Ag # 89    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 90    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 91    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 92    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 93    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 94    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 95    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 96    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Sb # 97    coordinates: [  0.000000000000000,  0.396891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 98    coordinates: [  0.500000000000000,  0.396891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 99    coordinates: [  0.000000000000000,  0.896891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 100    coordinates: [  0.500000000000000,  0.896891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 101    coordinates: [  0.000000000000000,  0.396891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 102    coordinates: [  0.500000000000000,  0.396891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 103    coordinates: [  0.000000000000000,  0.896891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 104    coordinates: [  0.500000000000000,  0.896891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 105    coordinates: [  0.000000000000000,  0.103108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 106    coordinates: [  0.500000000000000,  0.103108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 107    coordinates: [  0.000000000000000,  0.603108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 108    coordinates: [  0.500000000000000,  0.603108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 109    coordinates: [  0.000000000000000,  0.103108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 110    coordinates: [  0.500000000000000,  0.103108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 111    coordinates: [  0.000000000000000,  0.603108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 112    coordinates: [  0.500000000000000,  0.603108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 113    coordinates: [  0.250000000000000,  0.146891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 114    coordinates: [  0.750000000000000,  0.146891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 115    coordinates: [  0.250000000000000,  0.646891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 116    coordinates: [  0.750000000000000,  0.646891540000000,  0.375000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 117    coordinates: [  0.250000000000000,  0.146891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 118    coordinates: [  0.750000000000000,  0.146891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 119    coordinates: [  0.250000000000000,  0.646891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 120    coordinates: [  0.750000000000000,  0.646891540000000,  0.875000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 121    coordinates: [  0.250000000000000,  0.353108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 122    coordinates: [  0.750000000000000,  0.353108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 123    coordinates: [  0.250000000000000,  0.853108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 124    coordinates: [  0.750000000000000,  0.853108460000000,  0.125000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 125    coordinates: [  0.250000000000000,  0.353108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 126    coordinates: [  0.750000000000000,  0.353108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 127    coordinates: [  0.250000000000000,  0.853108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105  - symbol: Sb # 128    coordinates: [  0.750000000000000,  0.853108460000000,  0.625000000000000 ]    mass: 121.760000    reduced_to: 105born_effective_charge:- # 1 (Na)  - [  1.226445460000000, -0.133063990000000,  0.000000000000000 ]  - [  0.112865950000000,  1.295676560000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.561320200000000 ]- # 2 (Na)  - [  1.226445460000000, -0.133063990000000,  0.000000000000000 ]  - [  0.112865950000000,  1.295676560000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.561320200000000 ]- # 3 (Na)  - [  1.226445460000000,  0.133063990000000,  0.000000000000000 ]  - [ -0.112865950000000,  1.295676560000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.561320200000000 ]- # 4 (Na)  - [  1.226445460000000,  0.133063990000000,  0.000000000000000 ]  - [ -0.112865950000000,  1.295676560000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.561320200000000 ]- # 5 (Ag)  - [ -0.113093940000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.049671480000000, -0.420569770000000 ]  - [  0.000000000000000, -2.350569660000000,  1.649518560000000 ]- # 6 (Ag)  - [ -0.113093940000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.049671480000000,  0.420569770000000 ]  - [ -0.000000000000000,  2.350569659999999,  1.649518560000000 ]- # 7 (Sb)  - [ -2.339796980000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.641024600000000,  0.000000000000000 ]  - 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