# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e45bf2c3-82e5-4cc3-b39d-fbecd6842b29/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 KLiO / Cmce (64) / materials id 559612](https://mdr.nims.go.jp/datasets/86b8d411-4d76-4c1b-8a1e-ec776290d3a6)

## 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: "Cmce"  number: 64  Hall_symbol: "-C 2bc 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.329030885000000,    -3.189211245000000,     0.000000000000000 ] # a  - [     4.329030885000000,     3.189211245000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.414799670000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.176942150000000,  0.176942150000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.823057850000000,  0.823057850000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.676942150000000,  0.676942150000000,  0.500000000000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.323057850000000,  0.323057850000000,  0.500000000000000 ]    mass: 39.098300  - symbol: Li # 5    coordinates: [  0.125151010000000,  0.874848990000000,  0.626337300000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.625151010000000,  0.374848990000000,  0.873662700000000 ]    mass: 6.941000  - symbol: Li # 7    coordinates: [  0.374848990000000,  0.625151010000000,  0.126337300000000 ]    mass: 6.941000  - symbol: Li # 8    coordinates: [  0.874848990000000,  0.125151010000000,  0.373662700000000 ]    mass: 6.941000  - symbol: O  # 9    coordinates: [  0.330202660000000,  0.669797340000000,  0.833457570000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.169797340000000,  0.830202660000000,  0.333457570000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.669797340000000,  0.330202660000000,  0.166542430000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.830202660000000,  0.169797340000000,  0.666542430000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.115499291477104,    -0.156778576766871,     0.000000000000000 ] # a*  - [     0.115499291477104,     0.156778576766871,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.155889513537996 ] # c*unit_cell:  lattice:  - [     8.658061770000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.378422490000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.414799670000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.676942150000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.323057850000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.176942150000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.823057850000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.176942150000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 6    coordinates: [  0.823057850000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 7    coordinates: [  0.676942150000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 8    coordinates: [  0.323057850000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 4  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.874848990000000,  0.626337300000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.000000000000000,  0.374848990000000,  0.873662700000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 11    coordinates: [  0.000000000000000,  0.625151010000000,  0.126337300000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 12    coordinates: [  0.000000000000000,  0.125151010000000,  0.373662700000000 ]    mass: 6.941000    reduced_to: 12  - symbol: Li # 13    coordinates: [  0.500000000000000,  0.374848990000000,  0.626337300000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 14    coordinates: [  0.500000000000000,  0.874848990000000,  0.873662700000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 15    coordinates: [  0.500000000000000,  0.125151010000000,  0.126337300000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 16    coordinates: [  0.500000000000000,  0.625151010000000,  0.373662700000000 ]    mass: 6.941000    reduced_to: 12  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.669797340000000,  0.833457570000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.830202660000000,  0.333457570000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.330202660000000,  0.166542430000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.000000000000000,  0.169797340000000,  0.666542430000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.169797340000000,  0.833457570000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.330202660000000,  0.333457570000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.830202660000000,  0.166542430000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.669797340000000,  0.666542430000000 ]    mass: 15.999400    reduced_to: 20supercell:  lattice:  - [     8.658061770000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.756844980000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.829599340000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.676942150000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.676942150000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 3    coordinates: [  0.676942150000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 4    coordinates: [  0.676942150000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 5    coordinates: [  0.323057850000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.323057850000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 7    coordinates: [  0.323057850000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 8    coordinates: [  0.323057850000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 9    coordinates: [  0.176942150000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.176942150000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.176942150000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 12    coordinates: [  0.176942150000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 13    coordinates: [  0.823057850000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.823057850000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 15    coordinates: [  0.823057850000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 16    coordinates: [  0.823057850000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 17    coordinates: [  0.176942150000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 18    coordinates: [  0.176942150000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 19    coordinates: [  0.176942150000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 20    coordinates: [  0.176942150000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 21    coordinates: [  0.823057850000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 22    coordinates: [  0.823057850000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 23    coordinates: [  0.823057850000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 24    coordinates: [  0.823057850000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 25    coordinates: [  0.676942150000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 26    coordinates: [  0.676942150000000,  0.500000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 27    coordinates: [  0.676942150000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 28    coordinates: [  0.676942150000000,  0.500000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 29    coordinates: [  0.323057850000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 30    coordinates: [  0.323057850000000,  0.500000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 31    coordinates: [  0.323057850000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 32    coordinates: [  0.323057850000000,  0.500000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 13  - symbol: Li # 33    coordinates: [  0.000000000000000,  0.437424495000000,  0.313168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 34    coordinates: [  0.000000000000000,  0.937424495000000,  0.313168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 35    coordinates: [  0.000000000000000,  0.437424495000000,  0.813168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 36    coordinates: [  0.000000000000000,  0.937424495000000,  0.813168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 37    coordinates: [  0.000000000000000,  0.187424495000000,  0.436831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.000000000000000,  0.687424495000000,  0.436831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 39    coordinates: [  0.000000000000000,  0.187424495000000,  0.936831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.000000000000000,  0.687424495000000,  0.936831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 41    coordinates: [  0.000000000000000,  0.312575505000000,  0.063168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 42    coordinates: [  0.000000000000000,  0.812575505000000,  0.063168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 43    coordinates: [  0.000000000000000,  0.312575505000000,  0.563168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 44    coordinates: [  0.000000000000000,  0.812575505000000,  0.563168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 45    coordinates: [  0.000000000000000,  0.062575505000000,  0.186831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 46    coordinates: [  0.000000000000000,  0.562575505000000,  0.186831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 47    coordinates: [  0.000000000000000,  0.062575505000000,  0.686831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 48    coordinates: [  0.000000000000000,  0.562575505000000,  0.686831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 49    coordinates: [  0.500000000000000,  0.187424495000000,  0.313168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 50    coordinates: [  0.500000000000000,  0.687424495000000,  0.313168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 51    coordinates: [  0.500000000000000,  0.187424495000000,  0.813168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 52    coordinates: [  0.500000000000000,  0.687424495000000,  0.813168650000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 53    coordinates: [  0.500000000000000,  0.437424495000000,  0.436831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 54    coordinates: [  0.500000000000000,  0.937424495000000,  0.436831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 55    coordinates: [  0.500000000000000,  0.437424495000000,  0.936831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 56    coordinates: [  0.500000000000000,  0.937424495000000,  0.936831350000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 57    coordinates: [  0.500000000000000,  0.062575505000000,  0.063168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 58    coordinates: [  0.500000000000000,  0.562575505000000,  0.063168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 59    coordinates: [  0.500000000000000,  0.062575505000000,  0.563168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 60    coordinates: [  0.500000000000000,  0.562575505000000,  0.563168650000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 61    coordinates: [  0.500000000000000,  0.312575505000000,  0.186831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 62    coordinates: [  0.500000000000000,  0.812575505000000,  0.186831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 63    coordinates: [  0.500000000000000,  0.312575505000000,  0.686831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 64    coordinates: [  0.500000000000000,  0.812575505000000,  0.686831350000000 ]    mass: 6.941000    reduced_to: 45  - symbol: O  # 65    coordinates: [  0.000000000000000,  0.334898670000000,  0.416728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.000000000000000,  0.834898670000000,  0.416728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.000000000000000,  0.334898670000000,  0.916728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.000000000000000,  0.834898670000000,  0.916728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.000000000000000,  0.415101330000000,  0.166728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.000000000000000,  0.915101330000000,  0.166728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 71    coordinates: [  0.000000000000000,  0.415101330000000,  0.666728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 72    coordinates: [  0.000000000000000,  0.915101330000000,  0.666728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.165101330000000,  0.083271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.000000000000000,  0.665101330000000,  0.083271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.000000000000000,  0.165101330000000,  0.583271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.000000000000000,  0.665101330000000,  0.583271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.000000000000000,  0.084898670000000,  0.333271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.000000000000000,  0.584898670000000,  0.333271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.084898670000000,  0.833271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 80    coordinates: [  0.000000000000000,  0.584898670000000,  0.833271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 81    coordinates: [  0.500000000000000,  0.084898670000000,  0.416728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 82    coordinates: [  0.500000000000000,  0.584898670000000,  0.416728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 83    coordinates: [  0.500000000000000,  0.084898670000000,  0.916728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 84    coordinates: [  0.500000000000000,  0.584898670000000,  0.916728785000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 85    coordinates: [  0.500000000000000,  0.165101330000000,  0.166728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 86    coordinates: [  0.500000000000000,  0.665101330000000,  0.166728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 87    coordinates: [  0.500000000000000,  0.165101330000000,  0.666728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 88    coordinates: [  0.500000000000000,  0.665101330000000,  0.666728785000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 89    coordinates: [  0.500000000000000,  0.415101330000000,  0.083271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 90    coordinates: [  0.500000000000000,  0.915101330000000,  0.083271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 91    coordinates: [  0.500000000000000,  0.415101330000000,  0.583271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 92    coordinates: [  0.500000000000000,  0.915101330000000,  0.583271215000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 93    coordinates: [  0.500000000000000,  0.334898670000000,  0.333271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 94    coordinates: [  0.500000000000000,  0.834898670000000,  0.333271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 95    coordinates: [  0.500000000000000,  0.334898670000000,  0.833271215000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 96    coordinates: [  0.500000000000000,  0.834898670000000,  0.833271215000000 ]    mass: 15.999400    reduced_to: 77born_effective_charge:- # 1 (K)  - [  1.154970960000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.065984520000000, -0.024633870000000 ]  - [  0.000000000000000,  0.006951490000000,  1.052526910000000 ]- # 2 (K)  - [  1.154970960000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.065984520000000, -0.024633870000000 ]  - [  0.000000000000000,  0.006951490000000,  1.052526910000000 ]- # 3 (K)  - [  1.154970960000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.065984520000000,  0.024633870000000 ]  - [ -0.000000000000000, -0.006951490000000,  1.052526910000000 ]- # 4 (K)  - [  1.154970960000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.065984520000000,  0.024633870000000 ]  - [ -0.000000000000000, -0.006951490000000,  1.052526910000000 ]- # 5 (Li)  - [  0.566784010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.930646260000000,  0.003615130000000 ]  - [  0.000000000000000,  0.005613910000000,  0.928732400000000 ]- # 6 (Li)  - [  0.566784010000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  0.930646260000000, -0.003615130000000 ]  - [ -0.000000000000000, -0.005613910000000,  0.928732400000000 ]- # 7 (Li)  - [  0.566784010000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  0.930646260000000, -0.003615130000000 ]  - [ -0.000000000000000, -0.005613910000000,  0.928732400000000 ]- # 8 (Li)  - [  0.566784010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.930646260000000,  0.003615130000000 ]  - [  0.000000000000000,  0.005613910000000,  0.928732400000000 ]- # 9 (O)  - [ -1.721754970000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.996630780000000,  0.013979840000000 ]  - [  0.000000000000000,  0.023685160000000, -1.981259310000000 ]- # 10 (O)  - [ -1.721754970000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -1.996630780000000, -0.013979840000000 ]  - [ -0.000000000000000, -0.023685160000000, -1.981259310000000 ]- # 11 (O)  - [ -1.721754970000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.996630780000000,  0.013979840000000 ]  - [  0.000000000000000,  0.023685160000000, -1.981259310000000 ]- # 12 (O)  - [ -1.721754970000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -1.996630780000000, -0.013979840000000 ]  - [ -0.000000000000000, -0.023685160000000, -1.981259310000000 ]dielectric_constant:  - [  3.369372370000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.999949530000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.966867260000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0331717500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003379000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003338700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001656100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0143552100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003105100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003076000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001649600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007295400000000,  0.0000056100000000,  0.0000459000000000 ]  - [   0.0000526600000000,  0.0000222400000000,  0.0000251800000000 ]  - [   0.0007295400000000, -0.0000056100000000, -0.0000459000000000 ]  - [   0.0000526600000000, -0.0000222400000000, -0.0000251800000000 ]  - [  -0.0003698500000000,  0.0000106300000000,  0.0028336400000000 ]  - [  -0.0000608500000000,  0.0000188900000000,  0.0000289900000000 ]  - [  -0.0003698500000000, -0.0000106300000000, -0.0028336400000000 ]  - [  -0.0000608500000000, -0.0000188900000000, -0.0000289900000000 ]  - [   0.0007351800000000, -0.0000336900000000,  0.0000222000000000 ]  - [   0.0007351800000000,  0.0000336900000000, -0.0000222000000000 ]  - [   0.0000517100000000, -0.0000234700000000, -0.0000085600000000 ]  - [   0.0000517100000000,  0.0000234700000000,  0.0000085600000000 ]  - [  -0.0003639700000000, -0.0029175700000000,  0.0000237700000000 ]  - [  -0.0003639700000000,  0.0029175700000000, -0.0000237700000000 ]  - [  -0.0000597300000000, -0.0000275100000000, -0.0000044000000000 ]  - [  -0.0000597300000000,  0.0000275100000000,  0.0000044000000000 ]  - [  -0.0005661300000000,  0.0000331800000000,  0.0000157900000000 ]  - [  -0.0005667700000000, -0.0000336600000000, -0.0000669000000000 ]  - [  -0.0005667700000000,  0.0000336600000000,  0.0000669000000000 ]  - [  -0.0005661300000000, -0.0000331800000000, -0.0000157900000000 ]  - [   0.0005284300000000,  0.0001520800000000, -0.0001142800000000 ]  - [   0.0005295300000000, -0.0001652400000000, -0.0001869700000000 ]  - [   0.0005295300000000,  0.0001652400000000,  0.0001869700000000 ]  - [   0.0005284300000000, -0.0001520800000000,  0.0001142800000000 ]  - [  -0.0000227600000000,  0.0001946000000000,  0.0003016100000000 ]  - [  -0.0000141500000000, -0.0000051000000000,  0.0000295800000000 ]  - 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[  -0.0001084600000000, -0.0000381500000000, -0.0001953500000000 ]  - [   0.0000057300000000,  0.0000769600000000,  0.0000663500000000 ]  - [  -0.0041476800000000, -0.0019340700000000,  0.0020340300000000 ]  - [  -0.0001199900000000,  0.0003589100000000,  0.0001891800000000 ]  - [  -0.0014410000000000, -0.0015222900000000, -0.0014140700000000 ]  - [  -0.0000938400000000,  0.0004347300000000, -0.0002095900000000 ]  - [  -0.0000988900000000, -0.0003477400000000,  0.0005829400000000 ]  - [   0.0000518300000000,  0.0002018400000000,  0.0003534700000000 ]  - [  -0.0041476800000000,  0.0019340700000000, -0.0020340300000000 ]  - [  -0.0001199900000000, -0.0003589100000000, -0.0001891800000000 ]  - [  -0.0001084600000000,  0.0000381500000000,  0.0001953500000000 ]  - [   0.0000057300000000, -0.0000769600000000, -0.0000663500000000 ]  - [  -0.0000988900000000,  0.0003477400000000, -0.0005829400000000 ]  - [   0.0000518300000000, -0.0002018400000000, -0.0003534700000000 ]  - [  -0.0014410000000000,  0.0015222900000000,  0.0014140700000000 ]  - [  -0.0000938400000000, -0.0004347300000000,  0.0002095900000000 ]  - [  -0.0000217600000000, -0.0000988300000000,  0.0004035000000000 ]  - [  -0.0000146000000000,  0.0001451700000000,  0.0001476200000000 ]  - [   0.0027951300000000, -0.0008667700000000, -0.0004893800000000 ]  - [   0.0000663700000000,  0.0009176800000000, -0.0001184800000000 ]  - [   0.0023689100000000, -0.0009175700000000,  0.0014982400000000 ]  - [  -0.0000352900000000,  0.0002344200000000,  0.0002591200000000 ]  - [   0.0000580800000000, -0.0002980200000000, -0.0007556500000000 ]  - [  -0.0000090700000000,  0.0000278600000000, -0.0000040400000000 ]  - [   0.0027951300000000,  0.0008667700000000,  0.0004893800000000 ]  - [   0.0000663700000000, -0.0009176800000000,  0.0001184800000000 ]  - [  -0.0000217600000000,  0.0000988300000000, -0.0004035000000000 ]  - [  -0.0000146000000000, -0.0001451700000000, -0.0001476200000000 ]  - [   0.0000580800000000,  0.0002980200000000,  0.0007556500000000 ]  - [  -0.0000090700000000, -0.0000278600000000,  0.0000040400000000 ]  - [   0.0023689100000000,  0.0009175700000000, -0.0014982400000000 ]  - [  -0.0000352900000000, -0.0002344200000000, -0.0002591200000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0333532400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001552300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001526500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000128000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0144783400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001282700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001266600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000131200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009043000000000, -0.0000075800000000, -0.0000392200000000 ]  - [  -0.0002312500000000, -0.0000234000000000, -0.0000246900000000 ]  - [  -0.0009043000000000,  0.0000075800000000,  0.0000392200000000 ]  - [  -0.0002312500000000,  0.0000234000000000,  0.0000246900000000 ]  - [   0.0005316000000000, -0.0000109900000000, -0.0028251500000000 ]  - [   0.0002393000000000, -0.0000201800000000, -0.0000284400000000 ]  - [   0.0005316000000000,  0.0000109900000000,  0.0028251500000000 ]  - [   0.0002393000000000,  0.0000201800000000,  0.0000284400000000 ]  - [  -0.0009090200000000,  0.0000297600000000, -0.0000191200000000 ]  - [  -0.0009090200000000, -0.0000297600000000,  0.0000191200000000 ]  - [  -0.0002305500000000,  0.0000237900000000,  0.0000091400000000 ]  - [  -0.0002305500000000, -0.0000237900000000, -0.0000091400000000 ]  - [   0.0005243500000000,  0.0029117300000000, -0.0000208300000000 ]  - [   0.0005243500000000, -0.0029117300000000,  0.0000208300000000 ]  - [   0.0002386100000000,  0.0000277700000000,  0.0000050100000000 ]  - [   0.0002386100000000, -0.0000277700000000, -0.0000050100000000 ]  - [   0.0003844100000000, -0.0000287300000000, -0.0000179400000000 ]  - [   0.0003833500000000,  0.0000310700000000,  0.0000635900000000 ]  - 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[  -0.0000901400000000,  0.0002344500000000,  0.0000050800000000 ]  - [   0.0001135300000000, -0.0037568100000000,  0.0001742800000000 ]  - [   0.0000899700000000,  0.0007188600000000,  0.0000007700000000 ]  - [   0.0000904000000000, -0.0002696500000000, -0.0000513900000000 ]  - [   0.0000902600000000,  0.0002320300000000,  0.0000049200000000 ]  - [  -0.0000848400000000, -0.0006847100000000, -0.0000220400000000 ]  - [  -0.0000684400000000,  0.0004268800000000,  0.0000074100000000 ]  - [  -0.0000981000000000, -0.0006839800000000, -0.0000199800000000 ]  - [  -0.0001128000000000,  0.0004279500000000,  0.0000063900000000 ]  - [   0.0000760100000000, -0.0018092100000000, -0.0000822900000000 ]  - [   0.0000716600000000,  0.0004550500000000,  0.0000099400000000 ]  - [   0.0000978900000000, -0.0018091600000000, -0.0000578200000000 ]  - [   0.0001094700000000,  0.0004559100000000,  0.0000086400000000 ]  - [  -0.0000589300000000,  0.0003051800000000, -0.0000640500000000 ]  - [  -0.0001209600000000,  0.0003003700000000, -0.0000642200000000 ]  - 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