# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/67ca0864-70d8-42f7-b23c-23106aa960e3/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 SrI2 / Pnma (62) / materials id 568284](https://mdr.nims.go.jp/datasets/6d7f4ea5-ee97-41b3-b808-3ce618fefb35)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    12.204367110000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.880684920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.373143669999999 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.171711660000000,  0.250000000000000,  0.629241760000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.328288340000000,  0.750000000000000,  0.129241760000000 ]    mass: 87.620000  - symbol: Sr # 3    coordinates: [  0.671711660000000,  0.250000000000000,  0.870758240000000 ]    mass: 87.620000  - symbol: Sr # 4    coordinates: [  0.828288340000000,  0.750000000000000,  0.370758240000000 ]    mass: 87.620000  - symbol: I  # 5    coordinates: [  0.393387400000000,  0.250000000000000,  0.873598980000000 ]    mass: 126.904470  - symbol: I  # 6    coordinates: [  0.379926540000000,  0.250000000000000,  0.379134930000000 ]    mass: 126.904470  - symbol: I  # 7    coordinates: [  0.120073460000000,  0.750000000000000,  0.879134930000000 ]    mass: 126.904470  - symbol: I  # 8    coordinates: [  0.879926540000000,  0.250000000000000,  0.120865070000000 ]    mass: 126.904470  - symbol: I  # 9    coordinates: [  0.893387400000000,  0.250000000000000,  0.626401020000000 ]    mass: 126.904470  - symbol: I  # 10    coordinates: [  0.106612600000000,  0.750000000000000,  0.373598980000000 ]    mass: 126.904470  - symbol: I  # 11    coordinates: [  0.620073460000000,  0.750000000000000,  0.620865070000000 ]    mass: 126.904470  - symbol: I  # 12    coordinates: [  0.606612600000000,  0.750000000000000,  0.126401020000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.081937882643715,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.204889276073162,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.119429456774148 ] # c*unit_cell:  lattice:  - [    12.204367110000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.880684920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.373143669999999 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.171711660000000,  0.250000000000000,  0.629241760000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.328288340000000,  0.750000000000000,  0.129241760000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.671711660000000,  0.250000000000000,  0.870758240000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.828288340000000,  0.750000000000000,  0.370758240000000 ]    mass: 87.620000    reduced_to: 4  - symbol: I  # 5    coordinates: [  0.393387400000000,  0.250000000000000,  0.873598980000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 6    coordinates: [  0.379926540000000,  0.250000000000000,  0.379134930000000 ]    mass: 126.904470    reduced_to: 6  - symbol: I  # 7    coordinates: [  0.120073460000000,  0.750000000000000,  0.879134930000000 ]    mass: 126.904470    reduced_to: 7  - symbol: I  # 8    coordinates: [  0.879926540000000,  0.250000000000000,  0.120865070000000 ]    mass: 126.904470    reduced_to: 8  - symbol: I  # 9    coordinates: [  0.893387400000000,  0.250000000000000,  0.626401020000000 ]    mass: 126.904470    reduced_to: 9  - symbol: I  # 10    coordinates: [  0.106612600000000,  0.750000000000000,  0.373598980000000 ]    mass: 126.904470    reduced_to: 10  - symbol: I  # 11    coordinates: [  0.620073460000000,  0.750000000000000,  0.620865070000000 ]    mass: 126.904470    reduced_to: 11  - symbol: I  # 12    coordinates: [  0.606612600000000,  0.750000000000000,  0.126401020000000 ]    mass: 126.904470    reduced_to: 12supercell:  lattice:  - [    24.408734219999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.642054760000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.746287339999999 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.085855830000000,  0.083333333333333,  0.314620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.585855830000000,  0.083333333333333,  0.314620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.085855830000000,  0.416666666666667,  0.314620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.585855830000000,  0.416666666666667,  0.314620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 5    coordinates: [  0.085855830000000,  0.750000000000000,  0.314620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.585855830000000,  0.750000000000000,  0.314620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 7    coordinates: [  0.085855830000000,  0.083333333333333,  0.814620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.585855830000000,  0.083333333333333,  0.814620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 9    coordinates: [  0.085855830000000,  0.416666666666667,  0.814620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 10    coordinates: [  0.585855830000000,  0.416666666666667,  0.814620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 11    coordinates: [  0.085855830000000,  0.750000000000000,  0.814620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 12    coordinates: [  0.585855830000000,  0.750000000000000,  0.814620880000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 13    coordinates: [  0.164144170000000,  0.250000000000000,  0.064620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 14    coordinates: [  0.664144170000000,  0.250000000000000,  0.064620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 15    coordinates: [  0.164144170000000,  0.583333333333333,  0.064620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 16    coordinates: [  0.664144170000000,  0.583333333333333,  0.064620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 17    coordinates: [  0.164144170000000,  0.916666666666667,  0.064620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 18    coordinates: [  0.664144170000000,  0.916666666666667,  0.064620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 19    coordinates: [  0.164144170000000,  0.250000000000000,  0.564620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 20    coordinates: [  0.664144170000000,  0.250000000000000,  0.564620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 21    coordinates: [  0.164144170000000,  0.583333333333333,  0.564620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 22    coordinates: [  0.664144170000000,  0.583333333333333,  0.564620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 23    coordinates: [  0.164144170000000,  0.916666666666667,  0.564620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 24    coordinates: [  0.664144170000000,  0.916666666666667,  0.564620880000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 25    coordinates: [  0.335855830000000,  0.083333333333333,  0.435379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 26    coordinates: [  0.835855830000000,  0.083333333333333,  0.435379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 27    coordinates: [  0.335855830000000,  0.416666666666667,  0.435379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 28    coordinates: [  0.835855830000000,  0.416666666666667,  0.435379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 29    coordinates: [  0.335855830000000,  0.750000000000000,  0.435379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 30    coordinates: [  0.835855830000000,  0.750000000000000,  0.435379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 31    coordinates: [  0.335855830000000,  0.083333333333333,  0.935379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 32    coordinates: [  0.835855830000000,  0.083333333333333,  0.935379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 33    coordinates: [  0.335855830000000,  0.416666666666667,  0.935379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 34    coordinates: [  0.835855830000000,  0.416666666666667,  0.935379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 35    coordinates: [  0.335855830000000,  0.750000000000000,  0.935379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 36    coordinates: [  0.835855830000000,  0.750000000000000,  0.935379120000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 37    coordinates: [  0.414144170000000,  0.250000000000000,  0.185379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.914144170000000,  0.250000000000000,  0.185379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 39    coordinates: [  0.414144170000000,  0.583333333333333,  0.185379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 40    coordinates: [  0.914144170000000,  0.583333333333333,  0.185379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 41    coordinates: [  0.414144170000000,  0.916666666666667,  0.185379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 42    coordinates: [  0.914144170000000,  0.916666666666667,  0.185379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 43    coordinates: [  0.414144170000000,  0.250000000000000,  0.685379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.914144170000000,  0.250000000000000,  0.685379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 45    coordinates: [  0.414144170000000,  0.583333333333333,  0.685379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 46    coordinates: [  0.914144170000000,  0.583333333333333,  0.685379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 47    coordinates: [  0.414144170000000,  0.916666666666667,  0.685379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 48    coordinates: [  0.914144170000000,  0.916666666666667,  0.685379120000000 ]    mass: 87.620000    reduced_to: 37  - symbol: I  # 49    coordinates: [  0.196693700000000,  0.083333333333333,  0.436799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.696693700000000,  0.083333333333333,  0.436799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.196693700000000,  0.416666666666667,  0.436799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.696693700000000,  0.416666666666667,  0.436799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 53    coordinates: [  0.196693700000000,  0.750000000000000,  0.436799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 54    coordinates: [  0.696693700000000,  0.750000000000000,  0.436799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 55    coordinates: [  0.196693700000000,  0.083333333333333,  0.936799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 56    coordinates: [  0.696693700000000,  0.083333333333333,  0.936799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 57    coordinates: [  0.196693700000000,  0.416666666666667,  0.936799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 58    coordinates: [  0.696693700000000,  0.416666666666667,  0.936799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 59    coordinates: [  0.196693700000000,  0.750000000000000,  0.936799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 60    coordinates: [  0.696693700000000,  0.750000000000000,  0.936799490000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 61    coordinates: [  0.189963270000000,  0.083333333333333,  0.189567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 62    coordinates: [  0.689963270000000,  0.083333333333333,  0.189567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 63    coordinates: [  0.189963270000000,  0.416666666666667,  0.189567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 64    coordinates: [  0.689963270000000,  0.416666666666667,  0.189567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 65    coordinates: [  0.189963270000000,  0.750000000000000,  0.189567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 66    coordinates: [  0.689963270000000,  0.750000000000000,  0.189567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 67    coordinates: [  0.189963270000000,  0.083333333333333,  0.689567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 68    coordinates: [  0.689963270000000,  0.083333333333333,  0.689567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 69    coordinates: [  0.189963270000000,  0.416666666666667,  0.689567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 70    coordinates: [  0.689963270000000,  0.416666666666667,  0.689567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 71    coordinates: [  0.189963270000000,  0.750000000000000,  0.689567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 72    coordinates: [  0.689963270000000,  0.750000000000000,  0.689567465000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 73    coordinates: [  0.060036730000000,  0.250000000000000,  0.439567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.560036730000000,  0.250000000000000,  0.439567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 75    coordinates: [  0.060036730000000,  0.583333333333333,  0.439567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 76    coordinates: [  0.560036730000000,  0.583333333333333,  0.439567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 77    coordinates: [  0.060036730000000,  0.916666666666667,  0.439567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 78    coordinates: [  0.560036730000000,  0.916666666666667,  0.439567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 79    coordinates: [  0.060036730000000,  0.250000000000000,  0.939567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 80    coordinates: [  0.560036730000000,  0.250000000000000,  0.939567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 81    coordinates: [  0.060036730000000,  0.583333333333333,  0.939567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 82    coordinates: [  0.560036730000000,  0.583333333333333,  0.939567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 83    coordinates: [  0.060036730000000,  0.916666666666667,  0.939567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 84    coordinates: [  0.560036730000000,  0.916666666666667,  0.939567465000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 85    coordinates: [  0.439963270000000,  0.083333333333333,  0.060432535000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 86    coordinates: [  0.939963270000000,  0.083333333333333,  0.060432535000000 ]    mass: 126.904470    reduced_to: 85  - 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symbol: I  # 119    coordinates: [  0.053306300000000,  0.916666666666667,  0.686799490000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 120    coordinates: [  0.553306300000000,  0.916666666666667,  0.686799490000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 121    coordinates: [  0.310036730000000,  0.250000000000000,  0.310432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 122    coordinates: [  0.810036730000000,  0.250000000000000,  0.310432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 123    coordinates: [  0.310036730000000,  0.583333333333333,  0.310432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 124    coordinates: [  0.810036730000000,  0.583333333333333,  0.310432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 125    coordinates: [  0.310036730000000,  0.916666666666667,  0.310432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 126    coordinates: [  0.810036730000000,  0.916666666666667,  0.310432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 127    coordinates: [  0.310036730000000,  0.250000000000000,  0.810432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 128    coordinates: [  0.810036730000000,  0.250000000000000,  0.810432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 129    coordinates: [  0.310036730000000,  0.583333333333333,  0.810432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 130    coordinates: [  0.810036730000000,  0.583333333333333,  0.810432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 131    coordinates: [  0.310036730000000,  0.916666666666667,  0.810432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 132    coordinates: [  0.810036730000000,  0.916666666666667,  0.810432535000000 ]    mass: 126.904470    reduced_to: 121  - symbol: I  # 133    coordinates: [  0.303306300000000,  0.250000000000000,  0.063200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 134    coordinates: [  0.803306300000000,  0.250000000000000,  0.063200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 135    coordinates: [  0.303306300000000,  0.583333333333333,  0.063200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 136    coordinates: [  0.803306300000000,  0.583333333333333,  0.063200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 137    coordinates: [  0.303306300000000,  0.916666666666667,  0.063200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 138    coordinates: [  0.803306300000000,  0.916666666666667,  0.063200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 139    coordinates: [  0.303306300000000,  0.250000000000000,  0.563200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 140    coordinates: [  0.803306300000000,  0.250000000000000,  0.563200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 141    coordinates: [  0.303306300000000,  0.583333333333333,  0.563200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 142    coordinates: [  0.803306300000000,  0.583333333333333,  0.563200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 143    coordinates: [  0.303306300000000,  0.916666666666667,  0.563200510000000 ]    mass: 126.904470    reduced_to: 133  - symbol: I  # 144    coordinates: [  0.803306300000000,  0.916666666666667,  0.563200510000000 ]    mass: 126.904470    reduced_to: 133born_effective_charge:- # 1 (Sr)  - [  2.364456370000000,  0.000000000000000,  0.233813080000000 ]  - [  0.000000000000000,  2.391519070000000,  0.000000000000000 ]  - [  0.022822920000000,  0.000000000000000,  2.560126960000000 ]- # 2 (Sr)  - [  2.364456370000000,  0.000000000000000, -0.233813080000000 ]  - [  0.000000000000000,  2.391519070000000,  0.000000000000000 ]  - [ -0.022822920000000,  0.000000000000000,  2.560126960000000 ]- # 3 (Sr)  - [  2.364456370000000,  0.000000000000000, -0.233813080000000 ]  - [  0.000000000000000,  2.391519070000000,  0.000000000000000 ]  - [ -0.022822920000000,  0.000000000000000,  2.560126960000000 ]- # 4 (Sr)  - [  2.364456370000000,  0.000000000000000,  0.233813080000000 ]  - [  0.000000000000000,  2.391519070000000,  0.000000000000000 ]  - [  0.022822920000000,  0.000000000000000,  2.560126960000000 ]- # 5 (I)  - [ -1.438519900000000,  0.000000000000000, -0.139619730000000 ]  - [  0.000000000000000, -1.111350210000000,  0.000000000000000 ]  - [ -0.159948500000000,  0.000000000000000, -1.175622950000000 ]- # 6 (I)  - [ -0.925936470000000,  0.000000000000000,  0.282731600000000 ]  - [  0.000000000000000, -1.280168860000000,  0.000000000000000 ]  - [  0.268913970000000,  0.000000000000000, -1.384504010000000 ]- # 7 (I)  - [ -0.925936470000000,  0.000000000000000, -0.282731600000000 ]  - [  0.000000000000000, -1.280168860000000,  0.000000000000000 ]  - [ -0.268913970000000,  0.000000000000000, -1.384504010000000 ]- # 8 (I)  - [ -0.925936470000000,  0.000000000000000, -0.282731600000000 ]  - [  0.000000000000000, -1.280168860000000,  0.000000000000000 ]  - [ -0.268913970000000,  0.000000000000000, -1.384504010000000 ]- # 9 (I)  - [ -1.438519900000000,  0.000000000000000,  0.139619730000000 ]  - [  0.000000000000000, -1.111350210000000,  0.000000000000000 ]  - [  0.159948500000000,  0.000000000000000, -1.175622950000000 ]- # 10 (I)  - [ -1.438519900000000,  0.000000000000000,  0.139619730000000 ]  - [  0.000000000000000, -1.111350210000000,  0.000000000000000 ]  - [  0.159948500000000,  0.000000000000000, -1.175622950000000 ]- # 11 (I)  - [ -0.925936470000000,  0.000000000000000,  0.282731600000000 ]  - [  0.000000000000000, -1.280168860000000,  0.000000000000000 ]  - [  0.268913970000000,  0.000000000000000, -1.384504010000000 ]- # 12 (I)  - [ -1.438519900000000,  0.000000000000000, -0.139619730000000 ]  - [  0.000000000000000, -1.111350210000000,  0.000000000000000 ]  - [ -0.159948500000000,  0.000000000000000, -1.175622950000000 ]dielectric_constant:  - [  3.959175180000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.875167000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.183701010000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - 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