# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c3091531-6077-4060-9457-415eede70ee2/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 Li5ReO6 / C2/m (12) / materials id 5061](https://mdr.nims.go.jp/datasets/9d24879f-01a3-42df-abb2-73d40fbbb437)

## 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/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     2.511473985000000,    -4.337054550000000,     0.004893390000000 ] # a  - [     2.511473985000000,     4.337054550000000,     0.004893390000000 ] # b  - [    -1.708870740000000,     0.000000000000000,     4.690105770000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.333647490000000,  0.666352510000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.666352510000000,  0.333647490000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.177158510000000,  0.822841490000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.822841490000000,  0.177158510000000,  0.500000000000000 ]    mass: 6.941000  - symbol: O  # 6    coordinates: [  0.386577600000000,  0.077802240000000,  0.235089140000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.077802240000000,  0.386577600000000,  0.235089140000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.922197760000000,  0.613422400000000,  0.764910860000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.613422400000000,  0.922197760000000,  0.764910860000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.230070020000000,  0.230070020000000,  0.770582660000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.769929980000000,  0.769929980000000,  0.229417340000000 ]    mass: 15.999400  - symbol: Re # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 186.207000  reciprocal_lattice: # without 2pi  - [     0.198945040313623,    -0.115285614749761,     0.072486927786294 ] # a*  - [     0.198945040313623,     0.115285614749761,     0.072486927786294 ] # b*  - [    -0.000415135913159,     0.000000000000000,     0.213063550245879 ] # c*unit_cell:  lattice:  - [     5.022947970000000,     0.000000000000000,     0.009786780000000 ] # a  - [     0.000000000000000,     8.674109100000001,     0.000000000000000 ] # b  - [    -1.708870740000000,     0.000000000000000,     4.690105770000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.500000000000000,  0.166352510000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.500000000000000,  0.833647490000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.500000000000000,  0.322841490000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.500000000000000,  0.677158510000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.000000000000000,  0.666352510000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.333647490000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 8    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.822841490000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 10    coordinates: [  0.000000000000000,  0.177158510000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: O  # 11    coordinates: [  0.232189920000000,  0.845612320000000,  0.235089140000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.232189920000000,  0.154387680000000,  0.235089140000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.767810080000000,  0.845612320000000,  0.764910860000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.767810080000000,  0.154387680000000,  0.764910860000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.230070020000000,  0.000000000000000,  0.770582660000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.769929980000000,  0.000000000000000,  0.229417340000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.732189920000000,  0.345612320000000,  0.235089140000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 18    coordinates: [  0.732189920000000,  0.654387680000000,  0.235089140000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 19    coordinates: [  0.267810080000000,  0.345612320000000,  0.764910860000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 20    coordinates: [  0.267810080000000,  0.654387680000000,  0.764910860000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 21    coordinates: [  0.730070020000000,  0.500000000000000,  0.770582660000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 22    coordinates: [  0.269929980000000,  0.500000000000000,  0.229417340000000 ]    mass: 15.999400    reduced_to: 16  - symbol: Re # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 186.207000    reduced_to: 23  - symbol: Re # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 186.207000    reduced_to: 23supercell:  lattice:  - [    10.045895939999999,     0.000000000000000,     0.019573560000000 ] # a  - [     0.000000000000000,     8.674109100000001,     0.000000000000000 ] # b  - [    -3.417741480000000,     0.000000000000000,     9.380211539999999 ] # c  points:  - symbol: Li # 1    coordinates: [  0.250000000000000,  0.166352510000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.750000000000000,  0.166352510000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.250000000000000,  0.166352510000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.750000000000000,  0.166352510000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.250000000000000,  0.833647490000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.750000000000000,  0.833647490000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 7    coordinates: [  0.250000000000000,  0.833647490000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 8    coordinates: [  0.750000000000000,  0.833647490000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 9    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 13    coordinates: [  0.250000000000000,  0.322841490000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.750000000000000,  0.322841490000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 15    coordinates: [  0.250000000000000,  0.322841490000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 16    coordinates: [  0.750000000000000,  0.322841490000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 17    coordinates: [  0.250000000000000,  0.677158510000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 18    coordinates: [  0.750000000000000,  0.677158510000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 19    coordinates: [  0.250000000000000,  0.677158510000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 20    coordinates: [  0.750000000000000,  0.677158510000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 21    coordinates: [  0.000000000000000,  0.666352510000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 22    coordinates: [  0.500000000000000,  0.666352510000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 23    coordinates: [  0.000000000000000,  0.666352510000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 24    coordinates: [  0.500000000000000,  0.666352510000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 25    coordinates: [  0.000000000000000,  0.333647490000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 26    coordinates: [  0.500000000000000,  0.333647490000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 27    coordinates: [  0.000000000000000,  0.333647490000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 28    coordinates: [  0.500000000000000,  0.333647490000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 29    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 30    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 33    coordinates: [  0.000000000000000,  0.822841490000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 34    coordinates: [  0.500000000000000,  0.822841490000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 35    coordinates: [  0.000000000000000,  0.822841490000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 36    coordinates: [  0.500000000000000,  0.822841490000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 37    coordinates: [  0.000000000000000,  0.177158510000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 38    coordinates: [  0.500000000000000,  0.177158510000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 39    coordinates: [  0.000000000000000,  0.177158510000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 40    coordinates: [  0.500000000000000,  0.177158510000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 17  - symbol: O  # 41    coordinates: [  0.116094960000000,  0.845612320000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.616094960000000,  0.845612320000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.116094960000000,  0.845612320000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.616094960000000,  0.845612320000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.116094960000000,  0.154387680000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.616094960000000,  0.154387680000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.116094960000000,  0.154387680000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.616094960000000,  0.154387680000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.383905040000000,  0.845612320000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.883905040000000,  0.845612320000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.383905040000000,  0.845612320000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.883905040000000,  0.845612320000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.383905040000000,  0.154387680000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.883905040000000,  0.154387680000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.383905040000000,  0.154387680000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.883905040000000,  0.154387680000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.115035010000000,  0.000000000000000,  0.385291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.615035010000000,  0.000000000000000,  0.385291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.115035010000000,  0.000000000000000,  0.885291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.615035010000000,  0.000000000000000,  0.885291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.384964990000000,  0.000000000000000,  0.114708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.884964990000000,  0.000000000000000,  0.114708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.384964990000000,  0.000000000000000,  0.614708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.884964990000000,  0.000000000000000,  0.614708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.366094960000000,  0.345612320000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.866094960000000,  0.345612320000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 67    coordinates: [  0.366094960000000,  0.345612320000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 68    coordinates: [  0.866094960000000,  0.345612320000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 69    coordinates: [  0.366094960000000,  0.654387680000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.866094960000000,  0.654387680000000,  0.117544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 71    coordinates: [  0.366094960000000,  0.654387680000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 72    coordinates: [  0.866094960000000,  0.654387680000000,  0.617544570000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 73    coordinates: [  0.133905040000000,  0.345612320000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.633905040000000,  0.345612320000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 75    coordinates: [  0.133905040000000,  0.345612320000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 76    coordinates: [  0.633905040000000,  0.345612320000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 77    coordinates: [  0.133905040000000,  0.654387680000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.633905040000000,  0.654387680000000,  0.382455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 79    coordinates: [  0.133905040000000,  0.654387680000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 80    coordinates: [  0.633905040000000,  0.654387680000000,  0.882455430000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 81    coordinates: [  0.365035010000000,  0.500000000000000,  0.385291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 82    coordinates: [  0.865035010000000,  0.500000000000000,  0.385291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 83    coordinates: [  0.365035010000000,  0.500000000000000,  0.885291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 84    coordinates: [  0.865035010000000,  0.500000000000000,  0.885291330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 85    coordinates: [  0.134964990000000,  0.500000000000000,  0.114708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 86    coordinates: [  0.634964990000000,  0.500000000000000,  0.114708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 87    coordinates: [  0.134964990000000,  0.500000000000000,  0.614708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 88    coordinates: [  0.634964990000000,  0.500000000000000,  0.614708670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: Re # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 92    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 93    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 94    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 95    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 186.207000    reduced_to: 89  - symbol: Re # 96    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 186.207000    reduced_to: 89born_effective_charge:- # 1 (Li)  - [  1.321498770000000,  0.000000000000000,  0.042385600000000 ]  - [  0.000000000000000,  1.315068310000000,  0.000000000000000 ]  - [ -0.000983790000000, -0.000000000000000,  0.332602220000000 ]- # 2 (Li)  - [  1.321498770000000,  0.000000000000000,  0.042385600000000 ]  - [  0.000000000000000,  1.315068310000000,  0.000000000000000 ]  - [ -0.000983790000000, -0.000000000000000,  0.332602220000000 ]- # 3 (Li)  - [  1.521178570000000, -0.000000000000000,  0.091121240000000 ]  - [  0.000000000000000,  0.401524730000000,  0.000000000000000 ]  - [  0.087056170000000,  0.000000000000000,  1.643929690000000 ]- # 4 (Li)  - [  0.733822480000000,  0.000000000000000, -0.041824380000000 ]  - [ -0.000000000000000,  1.305651680000000, -0.000000000000000 ]  - [ -0.037340420000000,  0.000000000000000,  1.663506080000000 ]- # 5 (Li)  - [  0.733822480000000,  0.000000000000000, -0.041824380000000 ]  - [ -0.000000000000000,  1.305651680000000, -0.000000000000000 ]  - [ -0.037340420000000,  0.000000000000000,  1.663506080000000 ]- # 6 (O)  - [ -1.713819550000000,  0.722864260000000, -0.527919330000000 ]  - [  0.652277620000000, -2.558486050000000,  0.904375990000000 ]  - [ -0.440506050000000,  0.768804960000000, -1.983647470000000 ]- # 7 (O)  - [ -1.713819550000000, -0.722864260000000, -0.527919330000000 ]  - [ -0.652277620000000, -2.558486050000000, -0.904375990000000 ]  - [ -0.440506050000000, -0.768804960000000, -1.983647470000000 ]- # 8 (O)  - [ -1.713819550000000, -0.722864260000000, -0.527919330000000 ]  - [ -0.652277620000000, -2.558486050000000, -0.904375990000000 ]  - [ -0.440506050000000, -0.768804960000000, -1.983647470000000 ]- # 9 (O)  - [ -1.713819550000000,  0.722864260000000, -0.527919330000000 ]  - [  0.652277620000000, -2.558486050000000,  0.904375990000000 ]  - [ -0.440506050000000,  0.768804960000000, -1.983647470000000 ]- # 10 (O)  - [ -2.931260150000000,  0.000000000000000,  1.030851960000000 ]  - [ -0.000000000000000, -1.218032960000000,  0.000000000000000 ]  - [  0.948199630000000, -0.000000000000000, -1.993275700000000 ]- # 11 (O)  - [ -2.931260150000000,  0.000000000000000,  1.030851960000000 ]  - [ -0.000000000000000, -1.218032960000000,  0.000000000000000 ]  - [  0.948199630000000, -0.000000000000000, -1.993275700000000 ]- # 12 (Re)  - [  7.085977450000000, -0.000000000000000, -0.042270280000000 ]  - [  0.000000000000000,  7.027045430000000, -0.000000000000000 ]  - [ -0.144782800000000, -0.000000000000000,  6.284994990000000 ]dielectric_constant:  - [  4.781002730000000,  0.000000000000000, -0.093481730000000 ]  - [  0.000000000000000,  4.714642220000000,  0.000000000000000 ]  - [ -0.093474270000000,  0.000000000000000,  4.451613270000000 ]displacements:- atom:    1  displacement:    [   0.0099999810184768,  0.0000000000000000,  0.0000194840987437 ]  forces:  - [  -0.0423631400000000,  0.0001522900000000, -0.0013563100000000 ]  - [   0.0019778400000000, -0.0000214800000000, -0.0000020600000000 ]  - [  -0.0003315000000000, -0.0000155400000000, -0.0003617700000000 ]  - [   0.0003420100000000, -0.0000227000000000,  0.0001963700000000 ]  - 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[   0.0004085700000000,  0.0003646400000000,  0.0003704700000000 ]  - [   0.0001187900000000,  0.0009201600000000,  0.0000316500000000 ]  - [   0.0001168900000000, -0.0009604200000000,  0.0000319700000000 ]  - [  -0.0000000300000000,  0.0001008200000000,  0.0000027300000000 ]  - [  -0.0000040200000000, -0.0001466000000000,  0.0000050400000000 ]  - [   0.0028712700000000, -0.0032279200000000,  0.0001626600000000 ]  - [   0.0029065800000000,  0.0033171600000000,  0.0001637700000000 ]  - [   0.0000041200000000, -0.0000913400000000,  0.0000017200000000 ]  - [   0.0000060000000000,  0.0001344300000000,  0.0000042200000000 ]  - [   0.0000987600000000, -0.0000738300000000, -0.0001035200000000 ]  - [   0.0001088300000000, -0.0000267900000000,  0.0002247200000000 ]  - [   0.0001139000000000,  0.0000255400000000,  0.0002289100000000 ]  - [   0.0001005100000000,  0.0000741400000000, -0.0001015300000000 ]  - [   0.0003934400000000,  0.0005380800000000, -0.0006578900000000 ]  - [  -0.0001444300000000, -0.0008568000000000,  0.0009697100000000 ]  - 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[  -0.0011727500000000,  0.0000095200000000, -0.0016892100000000 ]  - [   0.0010348600000000,  0.0000018100000000,  0.0013130700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0446499800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006154600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003991700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003321400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0058834500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006204300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003981400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002922200000000,  0.0000000000000000 ]  - [   0.0008018500000000,  0.0006215900000000, -0.0026441300000000 ]  - [  -0.0000625400000000, -0.0000092100000000, -0.0005241400000000 ]  - [  -0.0008018500000000,  0.0006215900000000,  0.0026441300000000 ]  - [   0.0000625400000000, -0.0000092100000000,  0.0005241400000000 ]  - [  -0.0015551500000000, -0.0007784700000000,  0.0028742600000000 ]  - [   0.0000597600000000, -0.0005039900000000, -0.0001650500000000 ]  - [   0.0015551500000000, -0.0007784700000000, -0.0028742600000000 ]  - [  -0.0000597600000000, -0.0005039900000000,  0.0001650500000000 ]  - [  -0.0003719400000000,  0.0012103400000000,  0.0005378600000000 ]  - [  -0.0000353200000000,  0.0005105100000000, -0.0001851400000000 ]  - [   0.0003719400000000,  0.0012103400000000, -0.0005378600000000 ]  - [   0.0000353200000000,  0.0005105100000000,  0.0001851400000000 ]  - [  -0.0009367400000000,  0.0013512600000000, -0.0000426500000000 ]  - [   0.0009367400000000,  0.0013512600000000,  0.0000426500000000 ]  - [  -0.0001251200000000,  0.0003147700000000, -0.0000969000000000 ]  - [   0.0001251200000000,  0.0003147700000000,  0.0000969000000000 ]  - [  -0.0032791000000000, -0.0009347800000000,  0.0002599300000000 ]  - [   0.0032791000000000, -0.0009347800000000, -0.0002599300000000 ]  - 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