# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/65f36400-fc3f-44aa-a99b-207e9501763b/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 SmAgO2 / P6_3/mmc (194) / materials id 754110](https://mdr.nims.go.jp/datasets/8f438a9b-b60f-4954-9071-3d8fb80c708e)

## 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: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.615549620000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.807774810000000,     3.131157820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.255787359999999 ] # c  points:  - symbol: Sm # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 150.360000  - symbol: Sm # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 150.360000  - symbol: Ag # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 107.868200  - symbol: Ag # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 107.868200  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.084666090000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.415333910000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.584666090000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.915333910000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.276583121544879,     0.159685339654965,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.319370679309930,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.081594104942108 ] # c*unit_cell:  lattice:  - [     3.615549620000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.807774810000000,     3.131157820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.255787359999999 ] # c  points:  - symbol: Sm # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 2  - symbol: Ag # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 3  - symbol: Ag # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 8supercell:  lattice:  - [    14.462198480000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.231099240000000,    12.524631279999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.255787359999999 ] # c  points:  - symbol: Sm # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 2    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 7    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 10    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 12    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 15    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 18    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 20    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 21    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 22    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 24    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 26    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 29    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 30    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 31    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Sm # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 17  - symbol: Ag # 33    coordinates: [  0.083333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 34    coordinates: [  0.333333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 35    coordinates: [  0.583333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 36    coordinates: [  0.833333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 37    coordinates: [  0.083333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 38    coordinates: [  0.333333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 39    coordinates: [  0.583333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 40    coordinates: [  0.833333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 41    coordinates: [  0.083333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 42    coordinates: [  0.333333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 43    coordinates: [  0.583333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 44    coordinates: [  0.833333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 45    coordinates: [  0.083333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 46    coordinates: [  0.333333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 47    coordinates: [  0.583333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 48    coordinates: [  0.833333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 33  - symbol: Ag # 49    coordinates: [  0.166666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 50    coordinates: [  0.416666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 51    coordinates: [  0.666666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 52    coordinates: [  0.916666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 53    coordinates: [  0.166666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 54    coordinates: [  0.416666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 55    coordinates: [  0.666666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 56    coordinates: [  0.916666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 57    coordinates: [  0.166666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 58    coordinates: [  0.416666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 59    coordinates: [  0.666666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 60    coordinates: [  0.916666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 61    coordinates: [  0.166666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 62    coordinates: [  0.416666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 63    coordinates: [  0.666666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: Ag # 64    coordinates: [  0.916666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 49  - symbol: O  # 65    coordinates: [  0.083333332500000,  0.166666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.333333332500000,  0.166666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.583333332500000,  0.166666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.833333332500000,  0.166666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.083333332500000,  0.416666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 70    coordinates: [  0.333333332500000,  0.416666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 71    coordinates: [  0.583333332500000,  0.416666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 72    coordinates: [  0.833333332500000,  0.416666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 73    coordinates: [  0.083333332500000,  0.666666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 74    coordinates: [  0.333333332500000,  0.666666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 75    coordinates: [  0.583333332500000,  0.666666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 76    coordinates: [  0.833333332500000,  0.666666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 77    coordinates: [  0.083333332500000,  0.916666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 78    coordinates: [  0.333333332500000,  0.916666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 79    coordinates: [  0.583333332500000,  0.916666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 80    coordinates: [  0.833333332500000,  0.916666667500000,  0.084666090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 81    coordinates: [  0.083333332500000,  0.166666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.333333332500000,  0.166666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 83    coordinates: [  0.583333332500000,  0.166666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 84    coordinates: [  0.833333332500000,  0.166666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 85    coordinates: [  0.083333332500000,  0.416666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 86    coordinates: [  0.333333332500000,  0.416666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 87    coordinates: [  0.583333332500000,  0.416666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 88    coordinates: [  0.833333332500000,  0.416666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 89    coordinates: [  0.083333332500000,  0.666666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 90    coordinates: [  0.333333332500000,  0.666666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 91    coordinates: [  0.583333332500000,  0.666666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 92    coordinates: [  0.833333332500000,  0.666666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 93    coordinates: [  0.083333332500000,  0.916666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 94    coordinates: [  0.333333332500000,  0.916666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 95    coordinates: [  0.583333332500000,  0.916666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 96    coordinates: [  0.833333332500000,  0.916666667500000,  0.415333910000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 97    coordinates: [  0.166666667500000,  0.083333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.416666667500000,  0.083333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 99    coordinates: [  0.666666667500000,  0.083333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 100    coordinates: [  0.916666667500000,  0.083333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 101    coordinates: [  0.166666667500000,  0.333333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - 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symbol: O  # 110    coordinates: [  0.416666667500000,  0.833333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 111    coordinates: [  0.666666667500000,  0.833333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 112    coordinates: [  0.916666667500000,  0.833333332500000,  0.584666090000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 113    coordinates: [  0.166666667500000,  0.083333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 114    coordinates: [  0.416666667500000,  0.083333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 115    coordinates: [  0.666666667500000,  0.083333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 116    coordinates: [  0.916666667500000,  0.083333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 117    coordinates: [  0.166666667500000,  0.333333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 118    coordinates: [  0.416666667500000,  0.333333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 119    coordinates: [  0.666666667500000,  0.333333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 120    coordinates: [  0.916666667500000,  0.333333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 121    coordinates: [  0.166666667500000,  0.583333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 122    coordinates: [  0.416666667500000,  0.583333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 123    coordinates: [  0.666666667500000,  0.583333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 124    coordinates: [  0.916666667500000,  0.583333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 125    coordinates: [  0.166666667500000,  0.833333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 126    coordinates: [  0.416666667500000,  0.833333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 127    coordinates: [  0.666666667500000,  0.833333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 128    coordinates: [  0.916666667500000,  0.833333332500000,  0.915333910000000 ]    mass: 15.999400    reduced_to: 113born_effective_charge:- # 1 (Sm)  - [  4.475060110000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.475060110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.444067590000000 ]- # 2 (Sm)  - [  4.475060110000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.475060110000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.444067590000000 ]- # 3 (Ag)  - [  0.105100480000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.105100480000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.624837670000000 ]- # 4 (Ag)  - [  0.105100480000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.105100480000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.624837670000000 ]- # 5 (O)  - [ -2.290080290000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.290080290000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.534452630000000 ]- # 6 (O)  - [ -2.290080290000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.290080290000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.534452630000000 ]- # 7 (O)  - [ -2.290080290000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.290080290000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.534452630000000 ]- # 8 (O)  - [ -2.290080290000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.290080290000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.534452630000000 ]dielectric_constant:  - [  5.223011600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.223011600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.861141710000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1575771200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0351272500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0060061000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0346008700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0012355500000000, -0.0208142000000000, -0.0040576000000000 ]  - [  -0.0013091700000000,  0.0209105600000000,  0.0040818700000000 ]  - [   0.0037268400000000,  0.0024455700000000, -0.0000057300000000 ]  - [   0.0037229500000000, -0.0024309400000000,  0.0000018500000000 ]  - [   0.0005085300000000, -0.0031734800000000, -0.0001509000000000 ]  - [  -0.0004977900000000, -0.0000047700000000,  0.0000005300000000 ]  - 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