# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ebde518b-20a7-4922-bb89-f860329d13d8/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 Ba3Bi2TeO9 / P-3c1 (165) / materials id 556407](https://mdr.nims.go.jp/datasets/0454fe21-491d-4cd4-be9b-7ceeb94f7199)

## 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: "P-3c1"  number: 165  Hall_symbol: "-P 3 2\"c"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.200444730000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.100222370000000,     5.369742650000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.757510350000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.084091080000000 ]    mass: 137.327000  - symbol: Ba # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.915908920000000 ]    mass: 137.327000  - symbol: Ba # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.584091080000000 ]    mass: 137.327000  - symbol: Ba # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.415908920000000 ]    mass: 137.327000  - symbol: Ba # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000  - symbol: Ba # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000  - symbol: Bi # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.834433460000000 ]    mass: 208.980400  - symbol: Bi # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.165566540000000 ]    mass: 208.980400  - symbol: Bi # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.334433460000000 ]    mass: 208.980400  - symbol: Bi # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.665566540000000 ]    mass: 208.980400  - symbol: Te # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000  - symbol: Te # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 127.600000  - symbol: O  # 13    coordinates: [  0.921421950000000,  0.711085080000000,  0.575934860000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.556914040000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.210336880000000,  0.288914920000000,  0.924065140000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.921421950000000,  0.210336880000000,  0.075934860000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.789663120000000,  0.078578050000000,  0.575934860000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.789663120000000,  0.711085080000000,  0.075934860000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.711085080000000,  0.789663120000000,  0.424065140000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.443085960000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.556914040000000,  0.556914040000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.288914920000000,  0.210336880000000,  0.575934860000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.078578050000000,  0.288914920000000,  0.424065140000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.210336880000000,  0.921421950000000,  0.424065140000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.288914920000000,  0.078578050000000,  0.075934860000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.556914040000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.443085960000000,  0.443085960000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.443085960000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.078578050000000,  0.789663120000000,  0.924065140000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.711085080000000,  0.921421950000000,  0.924065140000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.161278753951573,     0.093114332175005,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.186228664049664,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.067762107312362 ] # c*unit_cell:  lattice:  - [     6.200444730000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.100222370000000,     5.369742650000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.757510350000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.084091080000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.915908920000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.584091080000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.415908920000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Bi # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.834433460000000 ]    mass: 208.980400    reduced_to: 7  - symbol: Bi # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.165566540000000 ]    mass: 208.980400    reduced_to: 8  - symbol: Bi # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.334433460000000 ]    mass: 208.980400    reduced_to: 9  - symbol: Bi # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.665566540000000 ]    mass: 208.980400    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.921421950000000,  0.711085080000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.556914040000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.210336880000000,  0.288914920000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.921421950000000,  0.210336880000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.789663120000000,  0.078578050000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.789663120000000,  0.711085080000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.711085080000000,  0.789663120000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.443085960000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.556914040000000,  0.556914040000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.288914920000000,  0.210336880000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.078578050000000,  0.288914920000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.210336880000000,  0.921421950000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.288914920000000,  0.078578050000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.556914040000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.443085960000000,  0.443085960000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.443085960000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.078578050000000,  0.789663120000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.711085080000000,  0.921421950000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 30supercell:  lattice:  - [    12.400889460000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.200444740000000,    10.739485300000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.757510350000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.166666665000000,  0.333333335000000,  0.084091080000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.666666665000000,  0.333333335000000,  0.084091080000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 3    coordinates: [  0.166666665000000,  0.833333335000000,  0.084091080000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 4    coordinates: [  0.666666665000000,  0.833333335000000,  0.084091080000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 5    coordinates: [  0.333333335000000,  0.166666665000000,  0.915908920000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.833333335000000,  0.166666665000000,  0.915908920000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 7    coordinates: [  0.333333335000000,  0.666666665000000,  0.915908920000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 8    coordinates: [  0.833333335000000,  0.666666665000000,  0.915908920000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 9    coordinates: [  0.166666665000000,  0.333333335000000,  0.584091080000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 10    coordinates: [  0.666666665000000,  0.333333335000000,  0.584091080000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 11    coordinates: [  0.166666665000000,  0.833333335000000,  0.584091080000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 12    coordinates: [  0.666666665000000,  0.833333335000000,  0.584091080000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 13    coordinates: [  0.333333335000000,  0.166666665000000,  0.415908920000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 14    coordinates: [  0.833333335000000,  0.166666665000000,  0.415908920000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 15    coordinates: [  0.333333335000000,  0.666666665000000,  0.415908920000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 16    coordinates: [  0.833333335000000,  0.666666665000000,  0.415908920000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 17  - symbol: Ba # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 17  - symbol: Ba # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 17  - symbol: Ba # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 17  - symbol: Ba # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 21  - symbol: Ba # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 21  - symbol: Ba # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 21  - symbol: Ba # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 21  - symbol: Bi # 25    coordinates: [  0.166666665000000,  0.333333335000000,  0.834433460000000 ]    mass: 208.980400    reduced_to: 25  - symbol: Bi # 26    coordinates: [  0.666666665000000,  0.333333335000000,  0.834433460000000 ]    mass: 208.980400    reduced_to: 25  - symbol: Bi # 27    coordinates: [  0.166666665000000,  0.833333335000000,  0.834433460000000 ]    mass: 208.980400    reduced_to: 25  - symbol: Bi # 28    coordinates: [  0.666666665000000,  0.833333335000000,  0.834433460000000 ]    mass: 208.980400    reduced_to: 25  - symbol: Bi # 29    coordinates: [  0.333333335000000,  0.166666665000000,  0.165566540000000 ]    mass: 208.980400    reduced_to: 29  - symbol: Bi # 30    coordinates: [  0.833333335000000,  0.166666665000000,  0.165566540000000 ]    mass: 208.980400    reduced_to: 29  - symbol: Bi # 31    coordinates: [  0.333333335000000,  0.666666665000000,  0.165566540000000 ]    mass: 208.980400    reduced_to: 29  - symbol: Bi # 32    coordinates: [  0.833333335000000,  0.666666665000000,  0.165566540000000 ]    mass: 208.980400    reduced_to: 29  - symbol: Bi # 33    coordinates: [  0.166666665000000,  0.333333335000000,  0.334433460000000 ]    mass: 208.980400    reduced_to: 33  - symbol: Bi # 34    coordinates: [  0.666666665000000,  0.333333335000000,  0.334433460000000 ]    mass: 208.980400    reduced_to: 33  - symbol: Bi # 35    coordinates: [  0.166666665000000,  0.833333335000000,  0.334433460000000 ]    mass: 208.980400    reduced_to: 33  - symbol: Bi # 36    coordinates: [  0.666666665000000,  0.833333335000000,  0.334433460000000 ]    mass: 208.980400    reduced_to: 33  - symbol: Bi # 37    coordinates: [  0.333333335000000,  0.166666665000000,  0.665566540000000 ]    mass: 208.980400    reduced_to: 37  - symbol: Bi # 38    coordinates: [  0.833333335000000,  0.166666665000000,  0.665566540000000 ]    mass: 208.980400    reduced_to: 37  - symbol: Bi # 39    coordinates: [  0.333333335000000,  0.666666665000000,  0.665566540000000 ]    mass: 208.980400    reduced_to: 37  - symbol: Bi # 40    coordinates: [  0.833333335000000,  0.666666665000000,  0.665566540000000 ]    mass: 208.980400    reduced_to: 37  - symbol: Te # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 42    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 43    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 127.600000    reduced_to: 41  - symbol: Te # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 47    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: Te # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 127.600000    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.460710975000000,  0.355542540000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.960710975000000,  0.355542540000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.460710975000000,  0.855542540000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.960710975000000,  0.855542540000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.000000000000000,  0.278457020000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.500000000000000,  0.278457020000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.000000000000000,  0.778457020000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.778457020000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.105168440000000,  0.144457460000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.605168440000000,  0.144457460000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.105168440000000,  0.644457460000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.605168440000000,  0.644457460000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.460710975000000,  0.105168440000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.960710975000000,  0.105168440000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.460710975000000,  0.605168440000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.960710975000000,  0.605168440000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.394831560000000,  0.039289025000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.894831560000000,  0.039289025000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.394831560000000,  0.539289025000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.894831560000000,  0.539289025000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.394831560000000,  0.355542540000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.894831560000000,  0.355542540000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 71    coordinates: [  0.394831560000000,  0.855542540000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 72    coordinates: [  0.894831560000000,  0.855542540000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 73    coordinates: [  0.355542540000000,  0.394831560000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.855542540000000,  0.394831560000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.355542540000000,  0.894831560000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.855542540000000,  0.894831560000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.221542980000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.721542980000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 79    coordinates: [  0.221542980000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 80    coordinates: [  0.721542980000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 81    coordinates: [  0.278457020000000,  0.278457020000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.778457020000000,  0.278457020000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 83    coordinates: [  0.278457020000000,  0.778457020000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 84    coordinates: [  0.778457020000000,  0.778457020000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 85    coordinates: [  0.144457460000000,  0.105168440000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 86    coordinates: [  0.644457460000000,  0.105168440000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 87    coordinates: [  0.144457460000000,  0.605168440000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 88    coordinates: [  0.644457460000000,  0.605168440000000,  0.575934860000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 89    coordinates: [  0.039289025000000,  0.144457460000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 90    coordinates: [  0.539289025000000,  0.144457460000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 91    coordinates: [  0.039289025000000,  0.644457460000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 92    coordinates: [  0.539289025000000,  0.644457460000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 93    coordinates: [  0.105168440000000,  0.460710975000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 94    coordinates: [  0.605168440000000,  0.460710975000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 95    coordinates: [  0.105168440000000,  0.960710975000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 96    coordinates: [  0.605168440000000,  0.960710975000000,  0.424065140000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 97    coordinates: [  0.144457460000000,  0.039289025000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.644457460000000,  0.039289025000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 99    coordinates: [  0.144457460000000,  0.539289025000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 100    coordinates: [  0.644457460000000,  0.539289025000000,  0.075934860000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 101    coordinates: [  0.278457020000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 102    coordinates: [  0.778457020000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 103    coordinates: [  0.278457020000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 104    coordinates: [  0.778457020000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 105    coordinates: [  0.221542980000000,  0.221542980000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 106    coordinates: [  0.721542980000000,  0.221542980000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 107    coordinates: [  0.221542980000000,  0.721542980000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 108    coordinates: [  0.721542980000000,  0.721542980000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 109    coordinates: [  0.000000000000000,  0.221542980000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 110    coordinates: [  0.500000000000000,  0.221542980000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 111    coordinates: [  0.000000000000000,  0.721542980000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 112    coordinates: [  0.500000000000000,  0.721542980000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 113    coordinates: [  0.039289025000000,  0.394831560000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 114    coordinates: [  0.539289025000000,  0.394831560000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 115    coordinates: [  0.039289025000000,  0.894831560000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 116    coordinates: [  0.539289025000000,  0.894831560000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 117    coordinates: [  0.355542540000000,  0.460710975000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 117  - symbol: O  # 118    coordinates: [  0.855542540000000,  0.460710975000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 117  - symbol: O  # 119    coordinates: [  0.355542540000000,  0.960710975000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 117  - symbol: O  # 120    coordinates: [  0.855542540000000,  0.960710975000000,  0.924065140000000 ]    mass: 15.999400    reduced_to: 117born_effective_charge:- # 1 (Ba)  - [  2.837784010000000, -0.019926190000000,  0.000000000000000 ]  - [  0.019926190000000,  2.837784010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.646044910000000 ]- # 2 (Ba)  - [  2.837784010000000, -0.019926190000000,  0.000000000000000 ]  - [  0.019926190000000,  2.837784010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.646044910000000 ]- # 3 (Ba)  - [  2.837784009993748,  0.019926190010829,  0.000000000000000 ]  - [ -0.019926189989171,  2.837784010006252,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.646044910000000 ]- # 4 (Ba)  - [  2.837784009993748,  0.019926190010829,  0.000000000000000 ]  - [ -0.019926189989171,  2.837784010006252,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.646044910000000 ]- # 5 (Ba)  - [  2.692599990000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.692599990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.550146700000000 ]- # 6 (Ba)  - [  2.692599990000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.692599990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.550146700000000 ]- # 7 (Bi)  - [  5.208530440000000,  0.417598920000000,  0.000000000000000 ]  - [ -0.417598920000000,  5.208530440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.269191340000000 ]- # 8 (Bi)  - [  5.208530440000000,  0.417598920000000,  0.000000000000000 ]  - [ -0.417598920000000,  5.208530440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.269191340000000 ]- # 9 (Bi)  - [  5.208530440131022, -0.417598920226938,  0.000000000000000 ]  - [  0.417598919773062,  5.208530439868976,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.269191340000000 ]- # 10 (Bi)  - [  5.208530440131022, -0.417598920226938,  0.000000000000000 ]  - [  0.417598919773062,  5.208530439868976,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.269191340000000 ]- # 11 (Te)  - [  5.864996690000000, -0.701857880000000,  0.000000000000000 ]  - [  0.701857880000000,  5.864996690000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.573324830000000 ]- # 12 (Te)  - [  5.864996689779789,  0.701857880381415,  0.000000000000000 ]  - [ -0.701857879618585,  5.864996690220210,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.573324830000000 ]- # 13 (O)  - [ -2.039473640000000,  0.219424220000000, -0.198926100000000 ]  - [  0.410223780000000, -3.186744180000000,  0.906820290000000 ]  - [ -0.083467530000000,  0.998425010000000, -2.593520170000000 ]- # 14 (O)  - [ -3.654376690000000, -1.149826530000000, -1.679754770000000 ]  - [ -1.149826530000000, -2.326671380000000, -0.969806870000000 ]  - [ -1.255063450000000, -0.724611220000000, -2.464274330000000 ]- # 15 (O)  - [ -2.039473639591369, -0.219424220000000,  0.198926100000000 ]  - [ -0.410223777863453, -3.186744180408631,  0.906820290370457 ]  - [  0.083467528140646,  0.998425010000000, -2.593520170000000 ]- # 16 (O)  - [ -2.627280964556165,  0.749594495507522,  0.685866357829912 ]  - [  0.558794936889151, -2.598936855443835, -0.625685200559939 ]  - [  0.822927658582296, -0.571497505553344, -2.593520170000000 ]- # 17 (O)  - [ -3.172572126573302,  0.243970937325675,  0.884792457829912 ]  - [  0.434770495224128, -2.053645693426698, -0.281135088162781 ]  - [  0.906395187518004, -0.426927504446656, -2.593520170000000 ]- # 18 (O)  - [ -2.039473639591369, -0.219424220000000,  0.198926100000000 ]  - [ -0.410223777863453, -3.186744180408631,  0.906820290370457 ]  - [  0.083467528140646,  0.998425010000000, -2.593520170000000 ]- # 19 (O)  - [ -2.627280963160205, -0.749594495507522, -0.685866357829912 ]  - [ -0.558794936941937, -2.598936856839795, -0.625685201837219 ]  - [ -0.822927657518004, -0.571497505553344, -2.593520170000000 ]- # 20 (O)  - [ -1.662818722574690, -0.000000000655743,  0.000000000317106 ]  - [  0.000000003456250, -4.318229347425310,  1.939613737421059 ]  - [ -0.000000000509320,  1.449222441455120, -2.464274330000000 ]- # 21 (O)  - [ -3.654376692425310,  1.149826528196605,  1.679754769682894 ]  - [  1.149826529002888, -2.326671377574689, -0.969806867421059 ]  - [  1.255063450509320, -0.724611221455120, -2.464274330000000 ]- # 22 (O)  - [ -2.627280963160205, -0.749594495507522, -0.685866357829912 ]  - [ -0.558794936941937, -2.598936856839795, -0.625685201837219 ]  - [ -0.822927657518004, -0.571497505553344, -2.593520170000000 ]- # 23 (O)  - [ -2.039473640000000,  0.219424220000000, -0.198926100000000 ]  - [  0.410223780000000, -3.186744180000000,  0.906820290000000 ]  - [ -0.083467530000000,  0.998425010000000, -2.593520170000000 ]- # 24 (O)  - [ -3.172572126573302,  0.243970937325675,  0.884792457829912 ]  - [  0.434770495224128, -2.053645693426698, -0.281135088162781 ]  - [  0.906395187518004, -0.426927504446656, -2.593520170000000 ]- # 25 (O)  - [ -3.172572126118958, -0.243970937325676, -0.884792457829912 ]  - [ -0.434770497307890, -2.053645693881041, -0.281135089810519 ]  - [ -0.906395186722943, -0.426927504446656, -2.593520170000000 ]- # 26 (O)  - [ -1.662818722574690, -0.000000000655743,  0.000000000317106 ]  - [  0.000000003456250, -4.318229347425310,  1.939613737421059 ]  - [ -0.000000000509320,  1.449222441455120, -2.464274330000000 ]- # 27 (O)  - [ -3.654376692425310,  1.149826528196605,  1.679754769682894 ]  - [  1.149826529002888, -2.326671377574689, -0.969806867421059 ]  - [  1.255063450509320, -0.724611221455120, -2.464274330000000 ]- # 28 (O)  - [ -3.654376690000000, -1.149826530000000, -1.679754770000000 ]  - [ -1.149826530000000, -2.326671380000000, -0.969806870000000 ]  - [ -1.255063450000000, -0.724611220000000, -2.464274330000000 ]- # 29 (O)  - [ -2.627280964556165,  0.749594495507522,  0.685866357829912 ]  - [  0.558794936889151, -2.598936855443835, -0.625685200559939 ]  - [  0.822927658582296, -0.571497505553344, -2.593520170000000 ]- # 30 (O)  - [ -3.172572126118958, -0.243970937325676, -0.884792457829912 ]  - [ -0.434770497307890, -2.053645693881041, -0.281135089810519 ]  - [ -0.906395186722943, -0.426927504446656, -2.593520170000000 ]dielectric_constant:  - [  5.906243670000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  5.906243680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.523124960000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0575657300000000, -0.0000944100000000,  0.0002494100000000 ]  - [   0.0044730000000000, -0.0000067900000000,  0.0002276000000000 ]  - [   0.0005713900000000, -0.0022491600000000, -0.0001438900000000 ]  - [   0.0005862600000000,  0.0022593000000000,  0.0005491600000000 ]  - [   0.0026968700000000, -0.0035499900000000, -0.0041786400000000 ]  - [   0.0029891300000000,  0.0033505400000000,  0.0033605600000000 ]  - [  -0.0031328500000000,  0.0001633600000000,  0.0001602300000000 ]  - [   0.0012621200000000,  0.0000043700000000, -0.0002119300000000 ]  - [  -0.0001583000000000,  0.0000269300000000,  0.0002111500000000 ]  - [   0.0001705000000000, -0.0000038300000000,  0.0001709100000000 ]  - [  -0.0000007100000000, -0.0001025500000000,  0.0003772800000000 ]  - [  -0.0000006600000000,  0.0000952800000000,  0.0000864400000000 ]  - [   0.0003677900000000, -0.0001155000000000,  0.0007972700000000 ]  - [   0.0003738400000000,  0.0003118400000000, -0.0012995400000000 ]  - [   0.0000016600000000,  0.0000953300000000, -0.0001350300000000 ]  - [   0.0000001400000000, -0.0000636600000000, -0.0002106700000000 ]  - [  -0.0025379000000000, -0.0000784200000000, -0.0004085300000000 ]  - [   0.0010651700000000,  0.0000308100000000,  0.0000009700000000 ]  - [   0.0030991500000000, -0.0032164200000000, -0.0043862200000000 ]  - [   0.0030026600000000,  0.0032400900000000,  0.0048225600000000 ]  - [  -0.0001941100000000, -0.0000717100000000, -0.0000368800000000 ]  - [   0.0001480700000000, -0.0000169400000000, -0.0000007800000000 ]  - [   0.0003279700000000, -0.0003147300000000,  0.0014520800000000 ]  - [   0.0002742600000000,  0.0002571600000000, -0.0014137400000000 ]  - [  -0.0075321300000000, -0.0002022100000000, -0.0000711600000000 ]  - [   0.0027377100000000, -0.0001266500000000, -0.0004177200000000 ]  - [   0.0001387200000000, -0.0015651100000000,  0.0004203600000000 ]  - [   0.0001951800000000,  0.0014050700000000, -0.0003211800000000 ]  - [   0.0116833100000000, -0.0118202200000000,  0.0074192200000000 ]  - [   0.0116980800000000,  0.0098763500000000, -0.0056475600000000 ]  - [  -0.0070934200000000, -0.0008779400000000, -0.0013677700000000 ]  - [   0.0021340500000000,  0.0002255900000000,  0.0001039600000000 ]  - [  -0.0087639200000000,  0.0000990300000000, -0.0001500300000000 ]  - [   0.0027742900000000, -0.0000503500000000, -0.0001118200000000 ]  - [  -0.0000563400000000, -0.0016679100000000,  0.0003258000000000 ]  - [  -0.0000409500000000,  0.0015895500000000, -0.0005227800000000 ]  - [  -0.0000634800000000, -0.0001343700000000, -0.0001156800000000 ]  - [  -0.0000635200000000,  0.0000511700000000,  0.0003052800000000 ]  - [  -0.0002258800000000, -0.0000478700000000,  0.0001247500000000 ]  - [   0.0002858000000000,  0.0001117600000000,  0.0001050000000000 ]  - [  -0.0089219500000000,  0.0016247400000000,  0.0021836500000000 ]  - [   0.0021829600000000, -0.0004057400000000, -0.0000020900000000 ]  - [   0.0145571700000000, -0.0117813700000000,  0.0080932200000000 ]  - [   0.0145416200000000,  0.0152920400000000, -0.0103715100000000 ]  - [  -0.0005356200000000,  0.0000271800000000,  0.0000183000000000 ]  - [   0.0005497100000000,  0.0000087300000000,  0.0000015100000000 ]  - [  -0.0000343000000000, -0.0003880300000000, -0.0001008100000000 ]  - [   0.0000669600000000,  0.0002474800000000,  0.0000834400000000 ]  - [   0.0000113200000000, -0.0000317400000000,  0.0000316200000000 ]  - [   0.0000217900000000, -0.0000050300000000, -0.0000961600000000 ]  - [  -0.0000680000000000, -0.0000336800000000, -0.0000794300000000 ]  - [   0.0000706100000000,  0.0000111300000000, -0.0000516200000000 ]  - [   0.0012276400000000, -0.0010688700000000,  0.0049698600000000 ]  - [  -0.0028852700000000, -0.0005152200000000, -0.0019861600000000 ]  - [  -0.0002662800000000,  0.0001581700000000, -0.0001083400000000 ]  - [   0.0005869300000000,  0.0003641300000000,  0.0003885800000000 ]  - [   0.0039463100000000,  0.0010344000000000, -0.0000765300000000 ]  - [  -0.0010709600000000, -0.0001147300000000,  0.0001514200000000 ]  - [  -0.0006934300000000,  0.0025895500000000, -0.0017785100000000 ]  - [  -0.0011074500000000, -0.0016340500000000,  0.0010543700000000 ]  - [  -0.0020597900000000,  0.0011183700000000,  0.0008341200000000 ]  - [   0.0073954900000000,  0.0029818600000000, -0.0007705200000000 ]  - [  -0.0002083700000000, -0.0064228600000000, -0.0002938400000000 ]  - [  -0.0021929100000000,  0.0022647600000000,  0.0002269700000000 ]  - [  -0.0000288800000000,  0.0000087300000000, -0.0001905500000000 ]  - [   0.0000280900000000,  0.0000109500000000,  0.0000508600000000 ]  - [   0.0000169000000000, -0.0000628500000000,  0.0000603700000000 ]  - [  -0.0000674800000000,  0.0000748800000000, -0.0002303100000000 ]  - [   0.0130683200000000,  0.0000960200000000, -0.0000207500000000 ]  - [  -0.0079803100000000,  0.0006752500000000, -0.0005865000000000 ]  - [  -0.0002145200000000,  0.0001385300000000, -0.0000869600000000 ]  - [   0.0007801300000000, -0.0012504200000000,  0.0001445000000000 ]  - [   0.0004914100000000,  0.0000113800000000, -0.0001041400000000 ]  - [  -0.0003639700000000,  0.0000744300000000,  0.0003595300000000 ]  - [  -0.0003601300000000, -0.0001055600000000, -0.0001568200000000 ]  - [   0.0003836600000000,  0.0000969200000000,  0.0002794200000000 ]  - [  -0.0001765400000000,  0.0008051700000000, -0.0000209800000000 ]  - 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