# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5f24f9fc-aca9-49ed-998d-493272175890/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 Ho2C(NO)2 / P-3m1 (164) / materials id 20374](https://mdr.nims.go.jp/datasets/6dedd2f6-f4b8-4f03-8cba-5df2abaa78bf)

## 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-3m1"  number: 164  Hall_symbol: "-P 3 2\""supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.663646450000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.831823220000000,     3.172810900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.088229830000000 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700  - symbol: N  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.652589940000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.347410060000000 ]    mass: 14.006700  - symbol: O  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.897760630000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.102239370000000 ]    mass: 15.999400  - symbol: Ho # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.823596550000000 ]    mass: 164.930320  - symbol: Ho # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.176403450000000 ]    mass: 164.930320  reciprocal_lattice: # without 2pi  - [     0.272952102133108,     0.157588969022780,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.315177938905845,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.123636447160651 ] # c*unit_cell:  lattice:  - [     3.663646450000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.831823220000000,     3.172810900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.088229830000000 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.652589940000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.347410060000000 ]    mass: 14.006700    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.897760630000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.102239370000000 ]    mass: 15.999400    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.823596550000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.176403450000000 ]    mass: 164.930320    reduced_to: 7supercell:  lattice:  - [    10.990939350000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.495469659999999,     9.518432700000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.176459659999999 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 11    coordinates: [  0.333333333333333,  0.000000000000000,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 12    coordinates: [  0.666666666666667,  0.000000000000000,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 13    coordinates: [  0.000000000000000,  0.333333333333333,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 14    coordinates: [  0.333333333333333,  0.333333333333333,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 15    coordinates: [  0.666666666666667,  0.333333333333333,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 16    coordinates: [  0.000000000000000,  0.666666666666667,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 17    coordinates: [  0.333333333333333,  0.666666666666667,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 18    coordinates: [  0.666666666666667,  0.666666666666667,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: N  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.326294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.826294970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.173705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.673705030000000 ]    mass: 14.006700    reduced_to: 37  - symbol: O  # 55    coordinates: [  0.111111110000000,  0.222222223333333,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.444444443333333,  0.222222223333333,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.777777776666667,  0.222222223333333,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.111111110000000,  0.555555556666667,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.444444443333333,  0.555555556666667,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.777777776666667,  0.555555556666667,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.111111110000000,  0.888888890000000,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 62    coordinates: [  0.444444443333333,  0.888888890000000,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 63    coordinates: [  0.777777776666667,  0.888888890000000,  0.448880315000000 ]    mass: 15.999400    reduced_to: 55  - 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symbol: O  # 72    coordinates: [  0.777777776666667,  0.888888890000000,  0.948880315000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 73    coordinates: [  0.222222223333333,  0.111111110000000,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.555555556666667,  0.111111110000000,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.888888890000000,  0.111111110000000,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.222222223333333,  0.444444443333333,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.555555556666667,  0.444444443333333,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.888888890000000,  0.444444443333333,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.222222223333333,  0.777777776666667,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.555555556666667,  0.777777776666667,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.888888890000000,  0.777777776666667,  0.051119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.222222223333333,  0.111111110000000,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 83    coordinates: [  0.555555556666667,  0.111111110000000,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 84    coordinates: [  0.888888890000000,  0.111111110000000,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 85    coordinates: [  0.222222223333333,  0.444444443333333,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 86    coordinates: [  0.555555556666667,  0.444444443333333,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 87    coordinates: [  0.888888890000000,  0.444444443333333,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 88    coordinates: [  0.222222223333333,  0.777777776666667,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 89    coordinates: [  0.555555556666667,  0.777777776666667,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 90    coordinates: [  0.888888890000000,  0.777777776666667,  0.551119685000000 ]    mass: 15.999400    reduced_to: 73  - symbol: Ho # 91    coordinates: [  0.222222223333333,  0.111111110000000,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 92    coordinates: [  0.555555556666667,  0.111111110000000,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 93    coordinates: [  0.888888890000000,  0.111111110000000,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 94    coordinates: [  0.222222223333333,  0.444444443333333,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 95    coordinates: [  0.555555556666667,  0.444444443333333,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 96    coordinates: [  0.888888890000000,  0.444444443333333,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 97    coordinates: [  0.222222223333333,  0.777777776666667,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 98    coordinates: [  0.555555556666667,  0.777777776666667,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 99    coordinates: [  0.888888890000000,  0.777777776666667,  0.411798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 100    coordinates: [  0.222222223333333,  0.111111110000000,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 101    coordinates: [  0.555555556666667,  0.111111110000000,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 102    coordinates: [  0.888888890000000,  0.111111110000000,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 103    coordinates: [  0.222222223333333,  0.444444443333333,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.911798275000000 ]    mass: 164.930320    reduced_to: 91  - symbol: Ho # 109    coordinates: [  0.111111110000000,  0.222222223333333,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 110    coordinates: [  0.444444443333333,  0.222222223333333,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 111    coordinates: [  0.777777776666667,  0.222222223333333,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 112    coordinates: [  0.111111110000000,  0.555555556666667,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 113    coordinates: [  0.444444443333333,  0.555555556666667,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 114    coordinates: [  0.777777776666667,  0.555555556666667,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 115    coordinates: [  0.111111110000000,  0.888888890000000,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 116    coordinates: [  0.444444443333333,  0.888888890000000,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 117    coordinates: [  0.777777776666667,  0.888888890000000,  0.088201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 118    coordinates: [  0.111111110000000,  0.222222223333333,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 119    coordinates: [  0.444444443333333,  0.222222223333333,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 120    coordinates: [  0.777777776666667,  0.222222223333333,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 121    coordinates: [  0.111111110000000,  0.555555556666667,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 122    coordinates: [  0.444444443333333,  0.555555556666667,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 123    coordinates: [  0.777777776666667,  0.555555556666667,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 124    coordinates: [  0.111111110000000,  0.888888890000000,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 125    coordinates: [  0.444444443333333,  0.888888890000000,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109  - symbol: Ho # 126    coordinates: [  0.777777776666667,  0.888888890000000,  0.588201725000000 ]    mass: 164.930320    reduced_to: 109born_effective_charge:- # 1 (C)  - [ -0.159562670000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.159562670000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.020796590000000 ]- # 2 (N)  - [ -1.201821210000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.201821200000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.803336690000000 ]- # 3 (N)  - [ -1.201821210000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.201821200000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.803336690000000 ]- # 4 (O)  - [ -2.500657300000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.500657300000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.713899650000000 ]- # 5 (O)  - [ -2.500657300000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.500657300000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.713899650000000 ]- # 6 (Ho)  - [  3.782259840000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.782259840000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.006838040000000 ]- # 7 (Ho)  - [  3.782259840000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.782259840000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.006838040000000 ]dielectric_constant:  - [  3.683809050000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.683809040000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.103119630000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1258231300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005956200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005888100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000941200000000, -0.0002895500000000, -0.0000503800000000 ]  - [   0.0000924300000000,  0.0002875000000000,  0.0000607500000000 ]  - 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