# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a3427c95-8c0c-436d-9aab-1787f0996575/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 Sr2YCu3O7 / Pmmm (47) / materials id 985569](https://mdr.nims.go.jp/datasets/3e76bec0-247a-4dc0-812b-9cb22818c54e)

## 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: "Pmmm"  number: 47  Hall_symbol: "-P 2 2"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.673271020000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.814484409999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.368712970000001 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.821898180000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.178101820000000 ]    mass: 87.620000  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Cu # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000  - symbol: Cu # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.653739150000000 ]    mass: 63.546000  - symbol: Cu # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.346260850000000 ]    mass: 63.546000  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.623242340000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.376757660000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.837595880000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.162404120000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.627901490000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.372098510000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.272236923046315,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.262158628143404,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.087960704315328 ] # c*unit_cell:  lattice:  - [     3.673271020000000,    -0.000000000000000,     0.000000000000000 ] # a  - [    -0.000000000000000,     3.814484410000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.368712970000001 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.178101820000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Cu # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 4  - symbol: Cu # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.653739150000000 ]    mass: 63.546000    reduced_to: 5  - symbol: Cu # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.346260850000000 ]    mass: 63.546000    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.623242340000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.376757660000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.837595880000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.162404120000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.627901490000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.372098510000000 ]    mass: 15.999400    reduced_to: 13supercell:  lattice:  - [    11.019813060000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.443453229999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.368712970000001 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.166666666666667,  0.000000000000000,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.833333333333333,  0.000000000000000,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.166666666666667,  0.333333333333333,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 5    coordinates: [  0.500000000000000,  0.333333333333333,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.833333333333333,  0.333333333333333,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 7    coordinates: [  0.166666666666667,  0.666666666666667,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.500000000000000,  0.666666666666667,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 9    coordinates: [  0.833333333333333,  0.666666666666667,  0.821898180000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 10    coordinates: [  0.166666666666667,  0.000000000000000,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 12    coordinates: [  0.833333333333333,  0.000000000000000,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 13    coordinates: [  0.166666666666667,  0.333333333333333,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 14    coordinates: [  0.500000000000000,  0.333333333333333,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 15    coordinates: [  0.833333333333333,  0.333333333333333,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 16    coordinates: [  0.166666666666667,  0.666666666666667,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 17    coordinates: [  0.500000000000000,  0.666666666666667,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 18    coordinates: [  0.833333333333333,  0.666666666666667,  0.178101820000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Y  # 19    coordinates: [  0.166666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 21    coordinates: [  0.833333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 22    coordinates: [  0.166666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 23    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 24    coordinates: [  0.833333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 25    coordinates: [  0.166666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 26    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 27    coordinates: [  0.833333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Cu # 28    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 29    coordinates: [  0.333333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 30    coordinates: [  0.666666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 32    coordinates: [  0.333333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 33    coordinates: [  0.666666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 34    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 35    coordinates: [  0.333333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 36    coordinates: [  0.666666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 37    coordinates: [  0.000000000000000,  0.166666666666667,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 38    coordinates: [  0.333333333333333,  0.166666666666667,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 39    coordinates: [  0.666666666666667,  0.166666666666667,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 41    coordinates: [  0.333333333333333,  0.500000000000000,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 42    coordinates: [  0.666666666666667,  0.500000000000000,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 43    coordinates: [  0.000000000000000,  0.833333333333333,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 44    coordinates: [  0.333333333333333,  0.833333333333333,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 45    coordinates: [  0.666666666666667,  0.833333333333333,  0.653739150000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 46    coordinates: [  0.000000000000000,  0.166666666666667,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 47    coordinates: [  0.333333333333333,  0.166666666666667,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 48    coordinates: [  0.666666666666667,  0.166666666666667,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 49    coordinates: [  0.000000000000000,  0.500000000000000,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 50    coordinates: [  0.333333333333333,  0.500000000000000,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 51    coordinates: [  0.666666666666667,  0.500000000000000,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 52    coordinates: [  0.000000000000000,  0.833333333333333,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 53    coordinates: [  0.333333333333333,  0.833333333333333,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: Cu # 54    coordinates: [  0.666666666666667,  0.833333333333333,  0.346260850000000 ]    mass: 63.546000    reduced_to: 46  - symbol: O  # 55    coordinates: [  0.166666666666667,  0.166666666666667,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.166666666666667,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.833333333333333,  0.166666666666667,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.166666666666667,  0.500000000000000,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.833333333333333,  0.500000000000000,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.166666666666667,  0.833333333333333,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.833333333333333,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 63    coordinates: [  0.833333333333333,  0.833333333333333,  0.623242340000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 64    coordinates: [  0.166666666666667,  0.166666666666667,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.500000000000000,  0.166666666666667,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 66    coordinates: [  0.833333333333333,  0.166666666666667,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 67    coordinates: [  0.166666666666667,  0.500000000000000,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 69    coordinates: [  0.833333333333333,  0.500000000000000,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 70    coordinates: [  0.166666666666667,  0.833333333333333,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 71    coordinates: [  0.500000000000000,  0.833333333333333,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 72    coordinates: [  0.833333333333333,  0.833333333333333,  0.376757660000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.166666666666667,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.333333333333333,  0.166666666666667,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.666666666666667,  0.166666666666667,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.000000000000000,  0.500000000000000,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.333333333333333,  0.500000000000000,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.666666666666667,  0.500000000000000,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.833333333333333,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.333333333333333,  0.833333333333333,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.666666666666667,  0.833333333333333,  0.837595880000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.000000000000000,  0.166666666666667,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 83    coordinates: [  0.333333333333333,  0.166666666666667,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 84    coordinates: [  0.666666666666667,  0.166666666666667,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 85    coordinates: [  0.000000000000000,  0.500000000000000,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 86    coordinates: [  0.333333333333333,  0.500000000000000,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 87    coordinates: [  0.666666666666667,  0.500000000000000,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 88    coordinates: [  0.000000000000000,  0.833333333333333,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 89    coordinates: [  0.333333333333333,  0.833333333333333,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 90    coordinates: [  0.666666666666667,  0.833333333333333,  0.162404120000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 92    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 93    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 94    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 95    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 96    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 97    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 98    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 99    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.627901490000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 110    coordinates: [  0.333333333333333,  0.000000000000000,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 111    coordinates: [  0.666666666666667,  0.000000000000000,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 112    coordinates: [  0.000000000000000,  0.333333333333333,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 113    coordinates: [  0.333333333333333,  0.333333333333333,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 114    coordinates: [  0.666666666666667,  0.333333333333333,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 115    coordinates: [  0.000000000000000,  0.666666666666667,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 116    coordinates: [  0.333333333333333,  0.666666666666667,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 117    coordinates: [  0.666666666666667,  0.666666666666667,  0.372098510000000 ]    mass: 15.999400    reduced_to: 109born_effective_charge:- # 1 (Sr)  - [  2.762722540000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.283850200000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.474106010000000 ]- # 2 (Sr)  - [  2.762722540000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.283850200000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.474106010000000 ]- # 3 (Y)  - [  3.649966350000001,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.485428600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.431357120000000 ]- # 4 (Cu)  - [ -0.299732940000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.570889540000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.634594680000000 ]- # 5 (Cu)  - [  0.735257960000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.602018130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.409473930000000 ]- # 6 (Cu)  - [  0.735257960000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.602018130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.409473930000000 ]- # 7 (O)  - [ -1.183786820000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.462221220000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.150437060000000 ]- # 8 (O)  - [ -1.183786820000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.462221220000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.150437060000000 ]- # 9 (O)  - [ -1.641224950000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.403608000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.351999310000000 ]- # 10 (O)  - [ -1.641224950000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.403608000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.351999310000000 ]- # 11 (O)  - [ -1.433414180000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.277629330000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.969136200000000 ]- # 12 (O)  - [ -1.631378340000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.409383510000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.429551360000000 ]- # 13 (O)  - [ -1.631378340000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.409383510000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.429551360000000 ]dielectric_constant:  - [  6.773877550000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  8.899344890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 13.228925609999999 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - 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