# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/44cf8430-69e9-4530-be49-1d68df91c464/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 DyZnPO / R-3m (166) / materials id 549728](https://mdr.nims.go.jp/datasets/37eb9793-2869-46ff-92d5-a590e1d5c674)

## 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: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     1.923322273333335,     1.110430633333332,     9.977407723333323 ] # a  - [    -1.923322276666665,     1.110430633333332,     9.977407723333323 ] # b  - [     0.000000003333335,    -2.220861266666668,     9.977407723333323 ] # c  points:  - symbol: O  # 1    coordinates: [  0.694695630000000,  0.694695620000000,  0.694695630000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.305304380000000,  0.305304380000001,  0.305304380000000 ]    mass: 15.999400  - symbol: Zn # 3    coordinates: [  0.804085220000000,  0.804085210000000,  0.804085220000000 ]    mass: 65.380000  - symbol: Zn # 4    coordinates: [  0.195914780000000,  0.195914780000001,  0.195914780000000 ]    mass: 65.380000  - symbol: P  # 5    coordinates: [  0.888371090000000,  0.888371080000001,  0.888371090000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.111628910000000,  0.111628910000000,  0.111628910000000 ]    mass: 30.973762  - symbol: Dy # 7    coordinates: [  0.620103380000000,  0.620103390000001,  0.620103380000000 ]    mass: 162.500000  - symbol: Dy # 8    coordinates: [  0.379896610000000,  0.379896620000000,  0.379896610000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [     0.259966832651590,     0.150091921185242,     0.033408811444459 ] # a*  - [    -0.259966832651590,     0.150091920404863,     0.033408811444459 ] # b*  - [     0.000000000000000,    -0.300183841590105,     0.033408811444459 ] # c*unit_cell:  lattice:  - [     3.846644550000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.923322280000000,     3.331291900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    29.932223170000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.028028960000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.305304380000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.361362290000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.638637710000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.694695620000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.971971040000000 ]    mass: 15.999400    reduced_to: 2  - symbol: Zn # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.137418550000000 ]    mass: 65.380000    reduced_to: 7  - symbol: Zn # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.195914780000000 ]    mass: 65.380000    reduced_to: 8  - symbol: Zn # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.470751890000000 ]    mass: 65.380000    reduced_to: 7  - symbol: Zn # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.529248110000000 ]    mass: 65.380000    reduced_to: 8  - symbol: Zn # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.804085220000000 ]    mass: 65.380000    reduced_to: 7  - symbol: Zn # 12    coordinates: [  0.333333330000000,  0.666666670000000,  0.862581450000000 ]    mass: 65.380000    reduced_to: 8  - symbol: P  # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.221704420000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.111628910000000 ]    mass: 30.973762    reduced_to: 14  - symbol: P  # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.555037760000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.444962240000000 ]    mass: 30.973762    reduced_to: 14  - symbol: P  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.888371090000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 18    coordinates: [  0.333333330000000,  0.666666670000000,  0.778295580000000 ]    mass: 30.973762    reduced_to: 14  - symbol: Dy # 19    coordinates: [  0.333333330000000,  0.666666670000000,  0.286770050000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.046563280000000 ]    mass: 162.500000    reduced_to: 20  - symbol: Dy # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.620103380000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.379896620000000 ]    mass: 162.500000    reduced_to: 20  - symbol: Dy # 23    coordinates: [  0.666666670000000,  0.333333330000000,  0.953436720000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 24    coordinates: [  0.666666670000000,  0.333333330000000,  0.713229950000000 ]    mass: 162.500000    reduced_to: 20supercell:  lattice:  - [     7.693289100000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.846644560000000,     6.662583800000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    29.932223170000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.333333335000000,  0.166666665000000,  0.028028960000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.833333335000000,  0.166666665000000,  0.028028960000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.333333335000000,  0.666666665000000,  0.028028960000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.833333335000000,  0.666666665000000,  0.028028960000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.305304380000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.305304380000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.305304380000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.305304380000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.166666665000000,  0.333333335000000,  0.361362290000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.666666665000000,  0.333333335000000,  0.361362290000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.166666665000000,  0.833333335000000,  0.361362290000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.666666665000000,  0.833333335000000,  0.361362290000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.333333335000000,  0.166666665000000,  0.638637710000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 14    coordinates: [  0.833333335000000,  0.166666665000000,  0.638637710000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 15    coordinates: [  0.333333335000000,  0.666666665000000,  0.638637710000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 16    coordinates: [  0.833333335000000,  0.666666665000000,  0.638637710000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.694695620000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.694695620000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.694695620000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.694695620000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.166666665000000,  0.333333335000000,  0.971971040000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.666666665000000,  0.333333335000000,  0.971971040000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 23    coordinates: [  0.166666665000000,  0.833333335000000,  0.971971040000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 24    coordinates: [  0.666666665000000,  0.833333335000000,  0.971971040000000 ]    mass: 15.999400    reduced_to: 5  - symbol: Zn # 25    coordinates: [  0.333333335000000,  0.166666665000000,  0.137418550000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 26    coordinates: [  0.833333335000000,  0.166666665000000,  0.137418550000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 27    coordinates: [  0.333333335000000,  0.666666665000000,  0.137418550000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 28    coordinates: [  0.833333335000000,  0.666666665000000,  0.137418550000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.195914780000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 30    coordinates: [  0.500000000000000,  0.000000000000000,  0.195914780000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.195914780000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.195914780000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 33    coordinates: [  0.166666665000000,  0.333333335000000,  0.470751890000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 34    coordinates: [  0.666666665000000,  0.333333335000000,  0.470751890000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 35    coordinates: [  0.166666665000000,  0.833333335000000,  0.470751890000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 36    coordinates: [  0.666666665000000,  0.833333335000000,  0.470751890000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 37    coordinates: [  0.333333335000000,  0.166666665000000,  0.529248110000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 38    coordinates: [  0.833333335000000,  0.166666665000000,  0.529248110000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 39    coordinates: [  0.333333335000000,  0.666666665000000,  0.529248110000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 40    coordinates: [  0.833333335000000,  0.666666665000000,  0.529248110000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.804085220000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 42    coordinates: [  0.500000000000000,  0.000000000000000,  0.804085220000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 43    coordinates: [  0.000000000000000,  0.500000000000000,  0.804085220000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.804085220000000 ]    mass: 65.380000    reduced_to: 25  - symbol: Zn # 45    coordinates: [  0.166666665000000,  0.333333335000000,  0.862581450000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 46    coordinates: [  0.666666665000000,  0.333333335000000,  0.862581450000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 47    coordinates: [  0.166666665000000,  0.833333335000000,  0.862581450000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 48    coordinates: [  0.666666665000000,  0.833333335000000,  0.862581450000000 ]    mass: 65.380000    reduced_to: 29  - symbol: P  # 49    coordinates: [  0.333333335000000,  0.166666665000000,  0.221704420000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.833333335000000,  0.166666665000000,  0.221704420000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 51    coordinates: [  0.333333335000000,  0.666666665000000,  0.221704420000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 52    coordinates: [  0.833333335000000,  0.666666665000000,  0.221704420000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 53    coordinates: [  0.000000000000000,  0.000000000000000,  0.111628910000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 54    coordinates: [  0.500000000000000,  0.000000000000000,  0.111628910000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 55    coordinates: [  0.000000000000000,  0.500000000000000,  0.111628910000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 56    coordinates: [  0.500000000000000,  0.500000000000000,  0.111628910000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 57    coordinates: [  0.166666665000000,  0.333333335000000,  0.555037760000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 58    coordinates: [  0.666666665000000,  0.333333335000000,  0.555037760000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 59    coordinates: [  0.166666665000000,  0.833333335000000,  0.555037760000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 60    coordinates: [  0.666666665000000,  0.833333335000000,  0.555037760000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 61    coordinates: [  0.333333335000000,  0.166666665000000,  0.444962240000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 62    coordinates: [  0.833333335000000,  0.166666665000000,  0.444962240000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 63    coordinates: [  0.333333335000000,  0.666666665000000,  0.444962240000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 64    coordinates: [  0.833333335000000,  0.666666665000000,  0.444962240000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.888371090000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.888371090000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.888371090000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.888371090000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 69    coordinates: [  0.166666665000000,  0.333333335000000,  0.778295580000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 70    coordinates: [  0.666666665000000,  0.333333335000000,  0.778295580000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 71    coordinates: [  0.166666665000000,  0.833333335000000,  0.778295580000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 72    coordinates: [  0.666666665000000,  0.833333335000000,  0.778295580000000 ]    mass: 30.973762    reduced_to: 53  - symbol: Dy # 73    coordinates: [  0.166666665000000,  0.333333335000000,  0.286770050000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 74    coordinates: [  0.666666665000000,  0.333333335000000,  0.286770050000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 75    coordinates: [  0.166666665000000,  0.833333335000000,  0.286770050000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 76    coordinates: [  0.666666665000000,  0.833333335000000,  0.286770050000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 77    coordinates: [  0.166666665000000,  0.333333335000000,  0.046563280000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 78    coordinates: [  0.666666665000000,  0.333333335000000,  0.046563280000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 79    coordinates: [  0.166666665000000,  0.833333335000000,  0.046563280000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 80    coordinates: [  0.666666665000000,  0.833333335000000,  0.046563280000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.620103380000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.620103380000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.620103380000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.620103380000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.379896620000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.379896620000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.379896620000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.379896620000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 89    coordinates: [  0.333333335000000,  0.166666665000000,  0.953436720000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 90    coordinates: [  0.833333335000000,  0.166666665000000,  0.953436720000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 91    coordinates: [  0.333333335000000,  0.666666665000000,  0.953436720000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 92    coordinates: [  0.833333335000000,  0.666666665000000,  0.953436720000000 ]    mass: 162.500000    reduced_to: 73  - symbol: Dy # 93    coordinates: [  0.333333335000000,  0.166666665000000,  0.713229950000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 94    coordinates: [  0.833333335000000,  0.166666665000000,  0.713229950000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 95    coordinates: [  0.333333335000000,  0.666666665000000,  0.713229950000000 ]    mass: 162.500000    reduced_to: 77  - symbol: Dy # 96    coordinates: [  0.833333335000000,  0.666666665000000,  0.713229950000000 ]    mass: 162.500000    reduced_to: 77born_effective_charge:- # 1 (O)  - [ -2.690147170000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -2.690147170000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -4.058802230000000 ]- # 2 (O)  - [ -2.690147170000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -2.690147170000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -4.058802230000000 ]- # 3 (Zn)  - [  1.864225070000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  1.864225070000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.202520120000000 ]- # 4 (Zn)  - [  1.864225070000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  1.864225070000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.202520120000000 ]- # 5 (P)  - [ -3.051124220000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -3.051124220000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -2.464260200000000 ]- # 6 (P)  - [ -3.051124220000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -3.051124220000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -2.464260200000000 ]- # 7 (Dy)  - [  3.877046320000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.877046320000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  5.320542330000000 ]- # 8 (Dy)  - [  3.877046320000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.877046320000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  5.320542330000000 ]dielectric_constant:  - [ 10.057257150000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 10.057257140000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.014465000000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0873385000000000, -0.0011045100000000, -0.0004138700000000 ]  - [   0.0109704800000000, -0.0000188700000000, -0.0000022400000000 ]  - [  -0.0007174700000000, -0.0067045000000000,  0.0006972400000000 ]  - [  -0.0007069500000000,  0.0067847800000000, -0.0007089000000000 ]  - [   0.0001278900000000, -0.0003511700000000,  0.0000233500000000 ]  - [   0.0001270000000000,  0.0003512400000000, -0.0000224000000000 ]  - 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