# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6df813ae-9c74-4d12-bb58-9424253071d3/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 Cs2LiF3 / Cmcm (63) / materials id 553988](https://mdr.nims.go.jp/datasets/ef06fd70-fa1a-4be1-bd47-9ba4687bca8e)

## 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:- [   3,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     1.880360760000000,   -10.640587210000000,     0.000000000000000 ] # a  - [     1.880360760000000,    10.640587210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.024577320000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.797839930000000,  0.202160070000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.202160070000000,  0.797839930000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Cs # 3    coordinates: [  0.416041980000000,  0.583958020000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Cs # 4    coordinates: [  0.583958020000000,  0.416041980000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Li # 5    coordinates: [  0.952035920000000,  0.047964080000000,  0.750000000000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.047964080000000,  0.952035920000000,  0.250000000000000 ]    mass: 6.941000  - symbol: F  # 7    coordinates: [  0.592058530000000,  0.407941470000000,  0.250000000000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.196203270000000,  0.803796730000000,  0.750000000000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.407941470000000,  0.592058530000000,  0.750000000000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.803796730000000,  0.196203270000000,  0.250000000000000 ]    mass: 18.998403  reciprocal_lattice: # without 2pi  - [     0.265906421063584,    -0.046989887882325,     0.000000000000000 ] # a*  - [     0.265906421063584,     0.046989887882325,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.165986748428021 ] # c*unit_cell:  lattice:  - [     3.760721520000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    21.281174419999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.024577320000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.202160070000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.500000000000000,  0.297839930000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.500000000000000,  0.083958020000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.416041980000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Cs # 5    coordinates: [  0.500000000000000,  0.702160070000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.000000000000000,  0.797839930000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 7    coordinates: [  0.000000000000000,  0.583958020000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 8    coordinates: [  0.500000000000000,  0.916041980000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.047964080000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.500000000000000,  0.452035920000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 11    coordinates: [  0.500000000000000,  0.547964080000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.000000000000000,  0.952035920000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 10  - symbol: F  # 13    coordinates: [  0.000000000000000,  0.407941470000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 15    coordinates: [  0.500000000000000,  0.303796730000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.500000000000000,  0.092058530000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.000000000000000,  0.196203270000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.500000000000000,  0.907941470000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 21    coordinates: [  0.000000000000000,  0.803796730000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 22    coordinates: [  0.000000000000000,  0.592058530000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 24    coordinates: [  0.500000000000000,  0.696203270000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 18supercell:  lattice:  - [    11.282164560000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    21.281174419999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.049154639999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.202160070000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.333333333333333,  0.202160070000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.666666666666667,  0.202160070000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.000000000000000,  0.202160070000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.333333333333333,  0.202160070000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.666666666666667,  0.202160070000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.166666666666667,  0.297839930000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 8    coordinates: [  0.500000000000000,  0.297839930000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 9    coordinates: [  0.833333333333333,  0.297839930000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 10    coordinates: [  0.166666666666667,  0.297839930000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 11    coordinates: [  0.500000000000000,  0.297839930000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 12    coordinates: [  0.833333333333333,  0.297839930000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 13    coordinates: [  0.166666666666667,  0.083958020000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 14    coordinates: [  0.500000000000000,  0.083958020000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 15    coordinates: [  0.833333333333333,  0.083958020000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 16    coordinates: [  0.166666666666667,  0.083958020000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 17    coordinates: [  0.500000000000000,  0.083958020000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 18    coordinates: [  0.833333333333333,  0.083958020000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 19    coordinates: [  0.000000000000000,  0.416041980000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 20    coordinates: [  0.333333333333333,  0.416041980000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 21    coordinates: [  0.666666666666667,  0.416041980000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 22    coordinates: [  0.000000000000000,  0.416041980000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 23    coordinates: [  0.333333333333333,  0.416041980000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 24    coordinates: [  0.666666666666667,  0.416041980000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 25    coordinates: [  0.166666666666667,  0.702160070000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 26    coordinates: [  0.500000000000000,  0.702160070000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 27    coordinates: [  0.833333333333333,  0.702160070000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 28    coordinates: [  0.166666666666667,  0.702160070000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 29    coordinates: [  0.500000000000000,  0.702160070000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 30    coordinates: [  0.833333333333333,  0.702160070000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 31    coordinates: [  0.000000000000000,  0.797839930000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 32    coordinates: [  0.333333333333333,  0.797839930000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 33    coordinates: [  0.666666666666667,  0.797839930000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 34    coordinates: [  0.000000000000000,  0.797839930000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 35    coordinates: [  0.333333333333333,  0.797839930000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 36    coordinates: [  0.666666666666667,  0.797839930000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 37    coordinates: [  0.000000000000000,  0.583958020000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 38    coordinates: [  0.333333333333333,  0.583958020000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 39    coordinates: [  0.666666666666667,  0.583958020000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 40    coordinates: [  0.000000000000000,  0.583958020000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 41    coordinates: [  0.333333333333333,  0.583958020000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 42    coordinates: [  0.666666666666667,  0.583958020000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 43    coordinates: [  0.166666666666667,  0.916041980000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 44    coordinates: [  0.500000000000000,  0.916041980000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 45    coordinates: [  0.833333333333333,  0.916041980000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 46    coordinates: [  0.166666666666667,  0.916041980000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 47    coordinates: [  0.500000000000000,  0.916041980000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 48    coordinates: [  0.833333333333333,  0.916041980000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Li # 49    coordinates: [  0.000000000000000,  0.047964080000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 50    coordinates: [  0.333333333333333,  0.047964080000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 51    coordinates: [  0.666666666666667,  0.047964080000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 52    coordinates: [  0.000000000000000,  0.047964080000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 53    coordinates: [  0.333333333333333,  0.047964080000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 54    coordinates: [  0.666666666666667,  0.047964080000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 55    coordinates: [  0.166666666666667,  0.452035920000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 56    coordinates: [  0.500000000000000,  0.452035920000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 57    coordinates: [  0.833333333333333,  0.452035920000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 58    coordinates: [  0.166666666666667,  0.452035920000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 59    coordinates: [  0.500000000000000,  0.452035920000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 60    coordinates: [  0.833333333333333,  0.452035920000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 61    coordinates: [  0.166666666666667,  0.547964080000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 62    coordinates: [  0.500000000000000,  0.547964080000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 63    coordinates: [  0.833333333333333,  0.547964080000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 64    coordinates: [  0.166666666666667,  0.547964080000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 65    coordinates: [  0.500000000000000,  0.547964080000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 66    coordinates: [  0.833333333333333,  0.547964080000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 67    coordinates: [  0.000000000000000,  0.952035920000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 68    coordinates: [  0.333333333333333,  0.952035920000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 69    coordinates: [  0.666666666666667,  0.952035920000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 70    coordinates: [  0.000000000000000,  0.952035920000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 71    coordinates: [  0.333333333333333,  0.952035920000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 72    coordinates: [  0.666666666666667,  0.952035920000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: F  # 73    coordinates: [  0.000000000000000,  0.407941470000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 74    coordinates: [  0.333333333333333,  0.407941470000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 75    coordinates: [  0.666666666666667,  0.407941470000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 76    coordinates: [  0.000000000000000,  0.407941470000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 77    coordinates: [  0.333333333333333,  0.407941470000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 78    coordinates: [  0.666666666666667,  0.407941470000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 79    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 79  - symbol: F  # 80    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 79  - symbol: F  # 81    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 79  - symbol: F  # 82    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 79  - symbol: F  # 83    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 79  - symbol: F  # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 79  - symbol: F  # 85    coordinates: [  0.166666666666667,  0.303796730000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 85  - symbol: F  # 86    coordinates: [  0.500000000000000,  0.303796730000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 85  - symbol: F  # 87    coordinates: [  0.833333333333333,  0.303796730000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 85  - symbol: F  # 88    coordinates: [  0.166666666666667,  0.303796730000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 85  - symbol: F  # 89    coordinates: [  0.500000000000000,  0.303796730000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 85  - symbol: F  # 90    coordinates: [  0.833333333333333,  0.303796730000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 85  - symbol: F  # 91    coordinates: [  0.166666666666667,  0.092058530000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 91  - symbol: F  # 92    coordinates: [  0.500000000000000,  0.092058530000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 91  - symbol: F  # 93    coordinates: [  0.833333333333333,  0.092058530000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 91  - symbol: F  # 94    coordinates: [  0.166666666666667,  0.092058530000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 91  - symbol: F  # 95    coordinates: [  0.500000000000000,  0.092058530000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 91  - symbol: F  # 96    coordinates: [  0.833333333333333,  0.092058530000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 91  - symbol: F  # 97    coordinates: [  0.166666666666667,  0.500000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 98    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 99    coordinates: [  0.833333333333333,  0.500000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 100    coordinates: [  0.166666666666667,  0.500000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 101    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 102    coordinates: [  0.833333333333333,  0.500000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 103    coordinates: [  0.000000000000000,  0.196203270000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 104    coordinates: [  0.333333333333333,  0.196203270000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 105    coordinates: [  0.666666666666667,  0.196203270000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 106    coordinates: [  0.000000000000000,  0.196203270000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 107    coordinates: [  0.333333333333333,  0.196203270000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 108    coordinates: [  0.666666666666667,  0.196203270000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 109    coordinates: [  0.166666666666667,  0.907941470000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 110    coordinates: [  0.500000000000000,  0.907941470000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 111    coordinates: [  0.833333333333333,  0.907941470000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 112    coordinates: [  0.166666666666667,  0.907941470000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 73  - 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symbol: F  # 137    coordinates: [  0.333333333333333,  0.000000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 138    coordinates: [  0.666666666666667,  0.000000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 97  - symbol: F  # 139    coordinates: [  0.166666666666667,  0.696203270000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 140    coordinates: [  0.500000000000000,  0.696203270000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 141    coordinates: [  0.833333333333333,  0.696203270000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 142    coordinates: [  0.166666666666667,  0.696203270000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 143    coordinates: [  0.500000000000000,  0.696203270000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 103  - symbol: F  # 144    coordinates: [  0.833333333333333,  0.696203270000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 103born_effective_charge:- # 1 (Cs)  - [  1.282952680000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.375512110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.316738900000000 ]- # 2 (Cs)  - [  1.282952680000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.375512110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.316738900000000 ]- # 3 (Cs)  - [  1.246915370000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.406066580000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.379342060000000 ]- # 4 (Cs)  - [  1.246915370000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.406066580000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.379342060000000 ]- # 5 (Li)  - [  1.066318910000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.086509950000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.026156290000000 ]- # 6 (Li)  - 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