# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b8a02e35-a60b-4e15-99d7-13da6cd9f8d5/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 Er2C(NO)2 / P-3m1 (164) / materials id 6574](https://mdr.nims.go.jp/datasets/fb7470e3-e60e-44b4-b259-a66770a08d70)

## 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:  - [     3.641290250000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.820645120000000,     3.153449859999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.069137019999999 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700  - symbol: N  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.652932490000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.347067510000000 ]    mass: 14.006700  - symbol: O  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.897793820000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.102206180000000 ]    mass: 15.999400  - symbol: Er # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.823933220000000 ]    mass: 167.259000  - symbol: Er # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.176066780000000 ]    mass: 167.259000  reciprocal_lattice: # without 2pi  - [     0.274627928932608,     0.158556508213154,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.317113017297190,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.123928989868609 ] # c*unit_cell:  lattice:  - [     3.641290250000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.820645120000000,     3.153449860000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.069137019999999 ] # 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,  0.652932490000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.347067510000000 ]    mass: 14.006700    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.897793820000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.102206180000000 ]    mass: 15.999400    reduced_to: 5  - symbol: Er # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.823933220000000 ]    mass: 167.259000    reduced_to: 6  - symbol: Er # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.176066780000000 ]    mass: 167.259000    reduced_to: 7supercell:  lattice:  - [    10.923870749999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.461935360000000,     9.460349579999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.138274039999999 ] # 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,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.326466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.826466245000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.173533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.673533755000000 ]    mass: 14.006700    reduced_to: 37  - symbol: O  # 55    coordinates: [  0.111111110000000,  0.222222223333333,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.444444443333333,  0.222222223333333,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.777777776666667,  0.222222223333333,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.111111110000000,  0.555555556666667,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.444444443333333,  0.555555556666667,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.777777776666667,  0.555555556666667,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.111111110000000,  0.888888890000000,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 62    coordinates: [  0.444444443333333,  0.888888890000000,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 63    coordinates: [  0.777777776666667,  0.888888890000000,  0.448896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 64    coordinates: [  0.111111110000000,  0.222222223333333,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 65    coordinates: [  0.444444443333333,  0.222222223333333,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 66    coordinates: [  0.777777776666667,  0.222222223333333,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 67    coordinates: [  0.111111110000000,  0.555555556666667,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 68    coordinates: [  0.444444443333333,  0.555555556666667,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 69    coordinates: [  0.777777776666667,  0.555555556666667,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 70    coordinates: [  0.111111110000000,  0.888888890000000,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 71    coordinates: [  0.444444443333333,  0.888888890000000,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 72    coordinates: [  0.777777776666667,  0.888888890000000,  0.948896910000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 73    coordinates: [  0.222222223333333,  0.111111110000000,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.555555556666667,  0.111111110000000,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.888888890000000,  0.111111110000000,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.222222223333333,  0.444444443333333,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.555555556666667,  0.444444443333333,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.888888890000000,  0.444444443333333,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.222222223333333,  0.777777776666667,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.555555556666667,  0.777777776666667,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.888888890000000,  0.777777776666667,  0.051103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.222222223333333,  0.111111110000000,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 83    coordinates: [  0.555555556666667,  0.111111110000000,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 84    coordinates: [  0.888888890000000,  0.111111110000000,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 85    coordinates: [  0.222222223333333,  0.444444443333333,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 86    coordinates: [  0.555555556666667,  0.444444443333333,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 87    coordinates: [  0.888888890000000,  0.444444443333333,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 88    coordinates: [  0.222222223333333,  0.777777776666667,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 89    coordinates: [  0.555555556666667,  0.777777776666667,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 90    coordinates: [  0.888888890000000,  0.777777776666667,  0.551103090000000 ]    mass: 15.999400    reduced_to: 73  - symbol: Er # 91    coordinates: [  0.222222223333333,  0.111111110000000,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 92    coordinates: [  0.555555556666667,  0.111111110000000,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 93    coordinates: [  0.888888890000000,  0.111111110000000,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 94    coordinates: [  0.222222223333333,  0.444444443333333,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 95    coordinates: [  0.555555556666667,  0.444444443333333,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 96    coordinates: [  0.888888890000000,  0.444444443333333,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 97    coordinates: [  0.222222223333333,  0.777777776666667,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 98    coordinates: [  0.555555556666667,  0.777777776666667,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 99    coordinates: [  0.888888890000000,  0.777777776666667,  0.411966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 100    coordinates: [  0.222222223333333,  0.111111110000000,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 101    coordinates: [  0.555555556666667,  0.111111110000000,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 102    coordinates: [  0.888888890000000,  0.111111110000000,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 103    coordinates: [  0.222222223333333,  0.444444443333333,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.911966610000000 ]    mass: 167.259000    reduced_to: 91  - symbol: Er # 109    coordinates: [  0.111111110000000,  0.222222223333333,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 110    coordinates: [  0.444444443333333,  0.222222223333333,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 111    coordinates: [  0.777777776666667,  0.222222223333333,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 112    coordinates: [  0.111111110000000,  0.555555556666667,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 113    coordinates: [  0.444444443333333,  0.555555556666667,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 114    coordinates: [  0.777777776666667,  0.555555556666667,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 115    coordinates: [  0.111111110000000,  0.888888890000000,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 116    coordinates: [  0.444444443333333,  0.888888890000000,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 117    coordinates: [  0.777777776666667,  0.888888890000000,  0.088033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 118    coordinates: [  0.111111110000000,  0.222222223333333,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 119    coordinates: [  0.444444443333333,  0.222222223333333,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 120    coordinates: [  0.777777776666667,  0.222222223333333,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 121    coordinates: [  0.111111110000000,  0.555555556666667,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 122    coordinates: [  0.444444443333333,  0.555555556666667,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 123    coordinates: [  0.777777776666667,  0.555555556666667,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 124    coordinates: [  0.111111110000000,  0.888888890000000,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 125    coordinates: [  0.444444443333333,  0.888888890000000,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 126    coordinates: [  0.777777776666667,  0.888888890000000,  0.588033390000000 ]    mass: 167.259000    reduced_to: 109born_effective_charge:- # 1 (C)  - [ -0.148890100000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.148890100000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.966065720000000 ]- # 2 (N)  - [ -1.199958040000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.199958040000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.772123790000000 ]- # 3 (N)  - [ -1.199958040000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.199958040000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.772123790000000 ]- # 4 (O)  - [ -2.484999430000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.484999430000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.713144850000000 ]- # 5 (O)  - [ -2.484999430000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.484999430000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.713144850000000 ]- # 6 (Er)  - [  3.759402520000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.759402520000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.002235770000000 ]- # 7 (Er)  - [  3.759402520000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.759402520000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.002235770000000 ]dielectric_constant:  - [  3.666266610000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.666266610000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.091768370000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1259884400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006512700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006424500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001025500000000, -0.0003141300000000, -0.0000445500000000 ]  - [   0.0001034200000000,  0.0003121700000000,  0.0000649500000000 ]  - 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