# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b0cc0124-15df-4adc-a9a3-31cf4f5d7d10/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 K2TiS3 / C2/c (15) / materials id 28766](https://mdr.nims.go.jp/datasets/22c9c098-9bd9-4a2f-9c26-e39e7bdeb47d)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"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:  - [     5.849832965000000,    -4.150620360000000,    -0.104596405000000 ] # a  - [     5.849832965000000,     4.150620360000000,    -0.104596405000000 ] # b  - [    -0.313056500000000,     0.000000000000000,     6.447574170000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.649516470000000,  0.350483530000000,  0.250000000000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.350483530000000,  0.649516470000000,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.121032050000000,  0.154032130000000,  0.000803810000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.845967870000000,  0.878967950000000,  0.499196190000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.154032130000000,  0.121032050000000,  0.500803810000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.878967950000000,  0.845967870000000,  0.999196190000000 ]    mass: 32.065000  - symbol: K  # 7    coordinates: [  0.822857970000000,  0.493369730000000,  0.719258560000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.493369730000000,  0.822857970000000,  0.219258560000000 ]    mass: 39.098300  - symbol: K  # 9    coordinates: [  0.506630270000000,  0.177142030000000,  0.780741440000000 ]    mass: 39.098300  - symbol: K  # 10    coordinates: [  0.177142030000000,  0.506630270000000,  0.280741440000000 ]    mass: 39.098300  - symbol: Ti # 11    coordinates: [  0.084761340000000,  0.915238660000000,  0.750000000000000 ]    mass: 47.867000  - symbol: Ti # 12    coordinates: [  0.915238660000000,  0.084761340000000,  0.250000000000000 ]    mass: 47.867000  reciprocal_lattice: # without 2pi  - [     0.085546794254039,    -0.120463920241552,     0.004153652100661 ] # a*  - [     0.085546794254039,     0.120463920241552,     0.004153652100661 ] # b*  - [     0.002775582537656,     0.000000000000000,     0.155231857403309 ] # c*unit_cell:  lattice:  - [    11.699665930000000,     0.000000000000000,    -0.209192810000000 ] # a  - [     0.000000000000000,     8.301240719999999,     0.000000000000000 ] # b  - [    -0.313056500000000,     0.000000000000000,     6.447574170000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.500000000000000,  0.850483530000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.500000000000000,  0.149516470000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.137532090000000,  0.016500040000000,  0.000803810000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.862467910000000,  0.016500040000000,  0.499196190000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.137532090000000,  0.983499960000000,  0.500803810000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.862467910000000,  0.983499960000000,  0.999196190000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.000000000000000,  0.350483530000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 8    coordinates: [  0.000000000000000,  0.649516470000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 9    coordinates: [  0.637532090000000,  0.516500040000000,  0.000803810000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 10    coordinates: [  0.362467910000000,  0.516500040000000,  0.499196190000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 11    coordinates: [  0.637532090000000,  0.483499960000000,  0.500803810000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 12    coordinates: [  0.362467910000000,  0.483499960000000,  0.999196190000000 ]    mass: 32.065000    reduced_to: 6  - symbol: K  # 13    coordinates: [  0.658113850000000,  0.835255880000000,  0.719258560000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.658113850000000,  0.164744120000000,  0.219258560000000 ]    mass: 39.098300    reduced_to: 14  - symbol: K  # 15    coordinates: [  0.341886150000000,  0.835255880000000,  0.780741440000000 ]    mass: 39.098300    reduced_to: 15  - symbol: K  # 16    coordinates: [  0.341886150000000,  0.164744120000000,  0.280741440000000 ]    mass: 39.098300    reduced_to: 16  - symbol: K  # 17    coordinates: [  0.158113850000000,  0.335255880000000,  0.719258560000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 18    coordinates: [  0.158113850000000,  0.664744120000000,  0.219258560000000 ]    mass: 39.098300    reduced_to: 14  - symbol: K  # 19    coordinates: [  0.841886150000000,  0.335255880000000,  0.780741440000000 ]    mass: 39.098300    reduced_to: 15  - symbol: K  # 20    coordinates: [  0.841886150000000,  0.664744120000000,  0.280741440000000 ]    mass: 39.098300    reduced_to: 16  - symbol: Ti # 21    coordinates: [  0.500000000000000,  0.415238660000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 21  - symbol: Ti # 22    coordinates: [  0.500000000000000,  0.584761340000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 22  - symbol: Ti # 23    coordinates: [  0.000000000000000,  0.915238660000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 21  - symbol: Ti # 24    coordinates: [  0.000000000000000,  0.084761340000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 22supercell:  lattice:  - [    11.699665930000000,     0.000000000000000,    -0.209192810000000 ] # a  - [     0.000000000000000,    16.602481439999998,     0.000000000000000 ] # b  - [    -0.626113000000000,     0.000000000000000,    12.895148340000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.500000000000000,  0.425241765000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.500000000000000,  0.925241765000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.500000000000000,  0.425241765000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.500000000000000,  0.925241765000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.500000000000000,  0.074758235000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.500000000000000,  0.574758235000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 7    coordinates: [  0.500000000000000,  0.074758235000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 8    coordinates: [  0.500000000000000,  0.574758235000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 9    coordinates: [  0.137532090000000,  0.008250020000000,  0.000401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.137532090000000,  0.508250020000000,  0.000401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 11    coordinates: [  0.137532090000000,  0.008250020000000,  0.500401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 12    coordinates: [  0.137532090000000,  0.508250020000000,  0.500401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 13    coordinates: [  0.862467910000000,  0.008250020000000,  0.249598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.862467910000000,  0.508250020000000,  0.249598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 15    coordinates: [  0.862467910000000,  0.008250020000000,  0.749598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 16    coordinates: [  0.862467910000000,  0.508250020000000,  0.749598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 17    coordinates: [  0.137532090000000,  0.491749980000000,  0.250401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.137532090000000,  0.991749980000000,  0.250401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 19    coordinates: [  0.137532090000000,  0.491749980000000,  0.750401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 20    coordinates: [  0.137532090000000,  0.991749980000000,  0.750401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 21    coordinates: [  0.862467910000000,  0.491749980000000,  0.499598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.862467910000000,  0.991749980000000,  0.499598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 23    coordinates: [  0.862467910000000,  0.491749980000000,  0.999598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 24    coordinates: [  0.862467910000000,  0.991749980000000,  0.999598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 25    coordinates: [  0.000000000000000,  0.175241765000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 26    coordinates: [  0.000000000000000,  0.675241765000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 27    coordinates: [  0.000000000000000,  0.175241765000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 28    coordinates: [  0.000000000000000,  0.675241765000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 29    coordinates: [  0.000000000000000,  0.324758235000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 30    coordinates: [  0.000000000000000,  0.824758235000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 31    coordinates: [  0.000000000000000,  0.324758235000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 32    coordinates: [  0.000000000000000,  0.824758235000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 33    coordinates: [  0.637532090000000,  0.258250020000000,  0.000401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 34    coordinates: [  0.637532090000000,  0.758250020000000,  0.000401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 35    coordinates: [  0.637532090000000,  0.258250020000000,  0.500401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 36    coordinates: [  0.637532090000000,  0.758250020000000,  0.500401905000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 37    coordinates: [  0.362467910000000,  0.258250020000000,  0.249598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 38    coordinates: [  0.362467910000000,  0.758250020000000,  0.249598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 39    coordinates: [  0.362467910000000,  0.258250020000000,  0.749598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 40    coordinates: [  0.362467910000000,  0.758250020000000,  0.749598095000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 41    coordinates: [  0.637532090000000,  0.241749980000000,  0.250401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 42    coordinates: [  0.637532090000000,  0.741749980000000,  0.250401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 43    coordinates: [  0.637532090000000,  0.241749980000000,  0.750401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 44    coordinates: [  0.637532090000000,  0.741749980000000,  0.750401905000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 45    coordinates: [  0.362467910000000,  0.241749980000000,  0.499598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 46    coordinates: [  0.362467910000000,  0.741749980000000,  0.499598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 47    coordinates: [  0.362467910000000,  0.241749980000000,  0.999598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 48    coordinates: [  0.362467910000000,  0.741749980000000,  0.999598095000000 ]    mass: 32.065000    reduced_to: 21  - symbol: K  # 49    coordinates: [  0.658113850000000,  0.417627940000000,  0.359629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.658113850000000,  0.917627940000000,  0.359629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 51    coordinates: [  0.658113850000000,  0.417627940000000,  0.859629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 52    coordinates: [  0.658113850000000,  0.917627940000000,  0.859629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 53    coordinates: [  0.658113850000000,  0.082372060000000,  0.109629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 54    coordinates: [  0.658113850000000,  0.582372060000000,  0.109629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 55    coordinates: [  0.658113850000000,  0.082372060000000,  0.609629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 56    coordinates: [  0.658113850000000,  0.582372060000000,  0.609629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 57    coordinates: [  0.341886150000000,  0.417627940000000,  0.390370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.341886150000000,  0.917627940000000,  0.390370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 59    coordinates: [  0.341886150000000,  0.417627940000000,  0.890370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 60    coordinates: [  0.341886150000000,  0.917627940000000,  0.890370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 61    coordinates: [  0.341886150000000,  0.082372060000000,  0.140370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.341886150000000,  0.582372060000000,  0.140370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 63    coordinates: [  0.341886150000000,  0.082372060000000,  0.640370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 64    coordinates: [  0.341886150000000,  0.582372060000000,  0.640370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 65    coordinates: [  0.158113850000000,  0.167627940000000,  0.359629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 66    coordinates: [  0.158113850000000,  0.667627940000000,  0.359629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 67    coordinates: [  0.158113850000000,  0.167627940000000,  0.859629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 68    coordinates: [  0.158113850000000,  0.667627940000000,  0.859629280000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 69    coordinates: [  0.158113850000000,  0.332372060000000,  0.109629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 70    coordinates: [  0.158113850000000,  0.832372060000000,  0.109629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 71    coordinates: [  0.158113850000000,  0.332372060000000,  0.609629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 72    coordinates: [  0.158113850000000,  0.832372060000000,  0.609629280000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 73    coordinates: [  0.841886150000000,  0.167627940000000,  0.390370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 74    coordinates: [  0.841886150000000,  0.667627940000000,  0.390370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 75    coordinates: [  0.841886150000000,  0.167627940000000,  0.890370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 76    coordinates: [  0.841886150000000,  0.667627940000000,  0.890370720000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 77    coordinates: [  0.841886150000000,  0.332372060000000,  0.140370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 78    coordinates: [  0.841886150000000,  0.832372060000000,  0.140370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 79    coordinates: [  0.841886150000000,  0.332372060000000,  0.640370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 80    coordinates: [  0.841886150000000,  0.832372060000000,  0.640370720000000 ]    mass: 39.098300    reduced_to: 61  - symbol: Ti # 81    coordinates: [  0.500000000000000,  0.207619330000000,  0.375000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 82    coordinates: [  0.500000000000000,  0.707619330000000,  0.375000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 83    coordinates: [  0.500000000000000,  0.207619330000000,  0.875000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 84    coordinates: [  0.500000000000000,  0.707619330000000,  0.875000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 85    coordinates: [  0.500000000000000,  0.292380670000000,  0.125000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 86    coordinates: [  0.500000000000000,  0.792380670000000,  0.125000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 87    coordinates: [  0.500000000000000,  0.292380670000000,  0.625000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 88    coordinates: [  0.500000000000000,  0.792380670000000,  0.625000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 89    coordinates: [  0.000000000000000,  0.457619330000000,  0.375000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 90    coordinates: [  0.000000000000000,  0.957619330000000,  0.375000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 91    coordinates: [  0.000000000000000,  0.457619330000000,  0.875000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 92    coordinates: [  0.000000000000000,  0.957619330000000,  0.875000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 93    coordinates: [  0.000000000000000,  0.042380670000000,  0.125000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 94    coordinates: [  0.000000000000000,  0.542380670000000,  0.125000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 95    coordinates: [  0.000000000000000,  0.042380670000000,  0.625000000000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 96    coordinates: [  0.000000000000000,  0.542380670000000,  0.625000000000000 ]    mass: 47.867000    reduced_to: 85born_effective_charge:- # 1 (S)  - [ -0.961574130000000,  0.000000000000000, -0.019911950000000 ]  - [ -0.000000000000000, -3.499339750000000,  0.000000000000000 ]  - [  0.137463380000000,  0.000000000000000, -1.119926760000000 ]- # 2 (S)  - [ -0.961574130000000,  0.000000000000001, -0.019911950000000 ]  - [ -0.000000000000000, -3.499339750000000,  0.000000000000000 ]  - [  0.137463380000000,  0.000000000000000, -1.119926760000000 ]- # 3 (S)  - [ -1.668723050000000, -0.049401210000000,  0.119042490000000 ]  - [ -0.104488140000000, -0.883807660000000, -0.454598260000000 ]  - [ -0.315343640000000, -1.797590660000000, -4.822382480000000 ]- # 4 (S)  - [ -1.668723050000000,  0.049401210000000,  0.119042490000000 ]  - [  0.104488140000000, -0.883807660000000,  0.454598260000000 ]  - [ -0.315343640000000,  1.797590660000000, -4.822382480000000 ]- # 5 (S)  - [ -1.668723050000000,  0.049401210000000,  0.119042490000000 ]  - [  0.104488140000000, -0.883807660000000,  0.454598260000000 ]  - [ -0.315343640000000,  1.797590660000000, -4.822382480000000 ]- # 6 (S)  - [ -1.668723050000000, -0.049401210000000,  0.119042490000000 ]  - [ -0.104488140000000, -0.883807660000000, -0.454598260000000 ]  - [ -0.315343640000000, -1.797590660000000, -4.822382480000000 ]- # 7 (K)  - [  1.327304510000000,  0.374939860000000,  0.041147140000000 ]  - [  0.175653760000000,  1.348628250000000,  0.070052690000000 ]  - [  0.046369560000000,  0.016938520000000,  1.188973660000000 ]- # 8 (K)  - [  1.327304510000000, -0.374939860000000,  0.041147140000000 ]  - [ -0.175653760000000,  1.348628250000000, -0.070052690000000 ]  - [  0.046369560000000, -0.016938520000000,  1.188973660000000 ]- # 9 (K)  - [  1.327304510000000, -0.374939860000000,  0.041147140000000 ]  - [ -0.175653760000000,  1.348628250000000, -0.070052690000000 ]  - [  0.046369560000000, -0.016938520000000,  1.188973660000000 ]- # 10 (K)  - [  1.327304510000000,  0.374939860000000,  0.041147140000000 ]  - [  0.175653760000000,  1.348628250000000,  0.070052690000000 ]  - [  0.046369560000000,  0.016938520000000,  1.188973660000000 ]- # 11 (Ti)  - [  1.644411210000000, -0.000000000000000, -0.300467300000000 ]  - [  0.000000000000000,  2.569698560000000,  0.000000000000000 ]  - [  0.400484790000000,  0.000000000000000,  8.386744400000000 ]- # 12 (Ti)  - [  1.644411210000000, -0.000000000000000, -0.300467300000000 ]  - [  0.000000000000000,  2.569698560000000,  0.000000000000000 ]  - [  0.400484790000000,  0.000000000000000,  8.386744400000000 ]dielectric_constant:  - [  3.952274100000000,  0.000000000000000, -0.250623310000000 ]  - [  0.000000000000000,  4.643262090000000,  0.000000000000000 ]  - [ -0.250632190000000,  0.000000000000000, 10.589598000000001 ]displacements:- atom:    1  displacement:    [   0.0099984018686512,  0.0000000000000000, -0.0001787738038784 ]  forces:  - [  -0.0154490600000000, -0.0004550000000000, -0.0005685800000000 ]  - [  -0.0000816300000000, -0.0001159400000000,  0.0000306500000000 ]  - [  -0.0000901300000000, -0.0001285100000000, -0.0000288800000000 ]  - [   0.0000106500000000, -0.0001180600000000, -0.0000208500000000 ]  - 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