# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0a99ec1a-a9c0-433a-9434-db511e5c0e35/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 Li2PdO2 / Immm (71) / materials id 7608](https://mdr.nims.go.jp/datasets/41201df2-8401-432a-81fe-897aa8582987)

## 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: "Immm"  number: 71  Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   4,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -1.493867675000000,     1.885158785000000,     4.535966300000000 ] # a  - [     1.493867675000000,    -1.885158785000000,     4.535966300000000 ] # b  - [     1.493867675000000,     1.885158785000000,    -4.535966300000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.150940040000000,  0.650940040000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.849059960000000,  0.349059960000000,  0.500000000000000 ]    mass: 15.999400  - symbol: Pd # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000  - symbol: Li # 4    coordinates: [  0.696409120000000,  0.696409120000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.303590880000000,  0.303590880000000,  0.000000000000000 ]    mass: 6.941000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.265229647485636,     0.110230095845289 ] # a*  - [     0.334701666263714,     0.000000000000000,     0.110230095845289 ] # b*  - [     0.334701666263714,     0.265229647485636,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     2.987735350000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.770317570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.071932600000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.849059960000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.349059960000000 ]    mass: 15.999400    reduced_to: 2  - symbol: Pd # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 5  - symbol: Pd # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 5  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.696409120000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.803590880000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.196409120000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.303590880000000 ]    mass: 6.941000    reduced_to: 8supercell:  lattice:  - [    11.950941400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.310952710000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.071932600000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.166666666666667,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.500000000000000,  0.166666666666667,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.750000000000000,  0.166666666666667,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.250000000000000,  0.500000000000000,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.500000000000000,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.833333333333333,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.250000000000000,  0.833333333333333,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.833333333333333,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.750000000000000,  0.833333333333333,  0.650940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.125000000000000,  0.000000000000000,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.375000000000000,  0.000000000000000,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.625000000000000,  0.000000000000000,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.875000000000000,  0.000000000000000,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.125000000000000,  0.333333333333333,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 18    coordinates: [  0.375000000000000,  0.333333333333333,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 19    coordinates: [  0.625000000000000,  0.333333333333333,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 20    coordinates: [  0.875000000000000,  0.333333333333333,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 21    coordinates: [  0.125000000000000,  0.666666666666667,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 22    coordinates: [  0.375000000000000,  0.666666666666667,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 23    coordinates: [  0.625000000000000,  0.666666666666667,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 24    coordinates: [  0.875000000000000,  0.666666666666667,  0.849059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 25    coordinates: [  0.125000000000000,  0.000000000000000,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.375000000000000,  0.000000000000000,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.625000000000000,  0.000000000000000,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.875000000000000,  0.000000000000000,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.125000000000000,  0.333333333333333,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 30    coordinates: [  0.375000000000000,  0.333333333333333,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 31    coordinates: [  0.625000000000000,  0.333333333333333,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 32    coordinates: [  0.875000000000000,  0.333333333333333,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 33    coordinates: [  0.125000000000000,  0.666666666666667,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.375000000000000,  0.666666666666667,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 35    coordinates: [  0.625000000000000,  0.666666666666667,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 36    coordinates: [  0.875000000000000,  0.666666666666667,  0.150940040000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.166666666666667,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.250000000000000,  0.166666666666667,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 39    coordinates: [  0.500000000000000,  0.166666666666667,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 40    coordinates: [  0.750000000000000,  0.166666666666667,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 45    coordinates: [  0.000000000000000,  0.833333333333333,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.250000000000000,  0.833333333333333,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 47    coordinates: [  0.500000000000000,  0.833333333333333,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 48    coordinates: [  0.750000000000000,  0.833333333333333,  0.349059960000000 ]    mass: 15.999400    reduced_to: 13  - symbol: Pd # 49    coordinates: [  0.125000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 50    coordinates: [  0.375000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 51    coordinates: [  0.625000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 52    coordinates: [  0.875000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 53    coordinates: [  0.125000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 54    coordinates: [  0.375000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 55    coordinates: [  0.625000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 56    coordinates: [  0.875000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 57    coordinates: [  0.125000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 58    coordinates: [  0.375000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 59    coordinates: [  0.625000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 60    coordinates: [  0.875000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 62    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 63    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 64    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 65    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 66    coordinates: [  0.250000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 67    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 68    coordinates: [  0.750000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 69    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 70    coordinates: [  0.250000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 71    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Pd # 72    coordinates: [  0.750000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 106.420000    reduced_to: 49  - symbol: Li # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 74    coordinates: [  0.250000000000000,  0.000000000000000,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 75    coordinates: [  0.500000000000000,  0.000000000000000,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 76    coordinates: [  0.750000000000000,  0.000000000000000,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 77    coordinates: [  0.000000000000000,  0.333333333333333,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 78    coordinates: [  0.250000000000000,  0.333333333333333,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 79    coordinates: [  0.500000000000000,  0.333333333333333,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 80    coordinates: [  0.750000000000000,  0.333333333333333,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 81    coordinates: [  0.000000000000000,  0.666666666666667,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 82    coordinates: [  0.250000000000000,  0.666666666666667,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 83    coordinates: [  0.500000000000000,  0.666666666666667,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 84    coordinates: [  0.750000000000000,  0.666666666666667,  0.696409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 85    coordinates: [  0.125000000000000,  0.166666666666667,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 86    coordinates: [  0.375000000000000,  0.166666666666667,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 87    coordinates: [  0.625000000000000,  0.166666666666667,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 88    coordinates: [  0.875000000000000,  0.166666666666667,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 89    coordinates: [  0.125000000000000,  0.500000000000000,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 90    coordinates: [  0.375000000000000,  0.500000000000000,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 91    coordinates: [  0.625000000000000,  0.500000000000000,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 92    coordinates: [  0.875000000000000,  0.500000000000000,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 93    coordinates: [  0.125000000000000,  0.833333333333333,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 94    coordinates: [  0.375000000000000,  0.833333333333333,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 95    coordinates: [  0.625000000000000,  0.833333333333333,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 96    coordinates: [  0.875000000000000,  0.833333333333333,  0.803590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 97    coordinates: [  0.125000000000000,  0.166666666666667,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 98    coordinates: [  0.375000000000000,  0.166666666666667,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 99    coordinates: [  0.625000000000000,  0.166666666666667,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 100    coordinates: [  0.875000000000000,  0.166666666666667,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 101    coordinates: [  0.125000000000000,  0.500000000000000,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 102    coordinates: [  0.375000000000000,  0.500000000000000,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 103    coordinates: [  0.625000000000000,  0.500000000000000,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 104    coordinates: [  0.875000000000000,  0.500000000000000,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 105    coordinates: [  0.125000000000000,  0.833333333333333,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 106    coordinates: [  0.375000000000000,  0.833333333333333,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 107    coordinates: [  0.625000000000000,  0.833333333333333,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 108    coordinates: [  0.875000000000000,  0.833333333333333,  0.196409120000000 ]    mass: 6.941000    reduced_to: 73  - symbol: Li # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 110    coordinates: [  0.250000000000000,  0.000000000000000,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 111    coordinates: [  0.500000000000000,  0.000000000000000,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 112    coordinates: [  0.750000000000000,  0.000000000000000,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 113    coordinates: [  0.000000000000000,  0.333333333333333,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 114    coordinates: [  0.250000000000000,  0.333333333333333,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 115    coordinates: [  0.500000000000000,  0.333333333333333,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 116    coordinates: [  0.750000000000000,  0.333333333333333,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 117    coordinates: [  0.000000000000000,  0.666666666666667,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 118    coordinates: [  0.250000000000000,  0.666666666666667,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 119    coordinates: [  0.500000000000000,  0.666666666666667,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85  - symbol: Li # 120    coordinates: [  0.750000000000000,  0.666666666666667,  0.303590880000000 ]    mass: 6.941000    reduced_to: 85born_effective_charge:- # 1 (O)  - [ -2.763741360000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.765841270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.122722560000000 ]- # 2 (O)  - [ -2.763741360000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000001, -0.765841270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.122722560000000 ]- # 3 (Pd)  - [  3.263691370000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000001, -0.679438980000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  1.393398840000000 ]- # 4 (Li)  - [  1.131895670000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.105560760000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.426023140000000 ]- # 5 (Li)  - [  1.131895670000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.105560760000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.426023140000000 ]dielectric_constant:  - [  6.609844350000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.528420740000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.261457920000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1547435700000000,  0.0000000000000000,  0.0024024700000000 ]  - [   0.0057961200000000,  0.0000000000000000,  0.0004779700000000 ]  - 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