# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/23cec43a-fb74-488d-9187-8ebc0fae5533/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 Ba2SrI6 / P-31m (162) / materials id 754196](https://mdr.nims.go.jp/datasets/f9ae9433-6044-41f7-b127-ea2d8483fb77)

## 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-31m"  number: 162  Hall_symbol: "-P 3 2"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     8.555201360000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.277600680000000,     7.409021710000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.048930250000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 137.327000  - symbol: Ba # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.500000000000000 ]    mass: 137.327000  - symbol: Sr # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000  - symbol: I  # 4    coordinates: [  0.000000000000000,  0.327973950000000,  0.238861200000000 ]    mass: 126.904470  - symbol: I  # 5    coordinates: [  0.000000000000000,  0.672026050000000,  0.761138800000000 ]    mass: 126.904470  - symbol: I  # 6    coordinates: [  0.327973950000000,  0.000000000000000,  0.238861200000000 ]    mass: 126.904470  - symbol: I  # 7    coordinates: [  0.672026050000000,  0.000000000000000,  0.761138800000000 ]    mass: 126.904470  - symbol: I  # 8    coordinates: [  0.327973950000000,  0.327973950000000,  0.761138800000000 ]    mass: 126.904470  - symbol: I  # 9    coordinates: [  0.672026050000000,  0.672026050000000,  0.238861200000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.116887955983774,     0.067485292872762,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.134970585745523,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.141865497959779 ] # c*unit_cell:  lattice:  - [     8.555201360000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.277600680000000,     7.409021710000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.048930250000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: I  # 4    coordinates: [  0.000000000000000,  0.327973950000000,  0.238861200000000 ]    mass: 126.904470    reduced_to: 4  - symbol: I  # 5    coordinates: [  0.000000000000000,  0.672026050000000,  0.761138800000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 6    coordinates: [  0.327973950000000,  0.000000000000000,  0.238861200000000 ]    mass: 126.904470    reduced_to: 6  - symbol: I  # 7    coordinates: [  0.672026050000000,  0.000000000000000,  0.761138800000000 ]    mass: 126.904470    reduced_to: 7  - symbol: I  # 8    coordinates: [  0.327973950000000,  0.327973950000000,  0.761138800000000 ]    mass: 126.904470    reduced_to: 8  - symbol: I  # 9    coordinates: [  0.672026050000000,  0.672026050000000,  0.238861200000000 ]    mass: 126.904470    reduced_to: 9supercell:  lattice:  - [    17.110402720000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -8.555201360000000,    14.818043420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    21.146790750000001 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.166666665000000,  0.333333335000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.666666665000000,  0.333333335000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 3    coordinates: [  0.166666665000000,  0.833333335000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 4    coordinates: [  0.666666665000000,  0.833333335000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 5    coordinates: [  0.166666665000000,  0.333333335000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 6    coordinates: [  0.666666665000000,  0.333333335000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 7    coordinates: [  0.166666665000000,  0.833333335000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 8    coordinates: [  0.666666665000000,  0.833333335000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 9    coordinates: [  0.166666665000000,  0.333333335000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 10    coordinates: [  0.666666665000000,  0.333333335000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 11    coordinates: [  0.166666665000000,  0.833333335000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 12    coordinates: [  0.666666665000000,  0.833333335000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 13    coordinates: [  0.333333335000000,  0.166666665000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 14    coordinates: [  0.833333335000000,  0.166666665000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 15    coordinates: [  0.333333335000000,  0.666666665000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 16    coordinates: [  0.833333335000000,  0.666666665000000,  0.166666666666667 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 17    coordinates: [  0.333333335000000,  0.166666665000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 18    coordinates: [  0.833333335000000,  0.166666665000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 19    coordinates: [  0.333333335000000,  0.666666665000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 20    coordinates: [  0.833333335000000,  0.666666665000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 21    coordinates: [  0.333333335000000,  0.166666665000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 22    coordinates: [  0.833333335000000,  0.166666665000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 23    coordinates: [  0.333333335000000,  0.666666665000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 13  - symbol: Ba # 24    coordinates: [  0.833333335000000,  0.666666665000000,  0.833333333333333 ]    mass: 137.327000    reduced_to: 13  - symbol: Sr # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 27    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 28    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.333333333333333 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 30    coordinates: [  0.500000000000000,  0.000000000000000,  0.333333333333333 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.333333333333333 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.333333333333333 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.666666666666667 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 34    coordinates: [  0.500000000000000,  0.000000000000000,  0.666666666666667 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 35    coordinates: [  0.000000000000000,  0.500000000000000,  0.666666666666667 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.666666666666667 ]    mass: 87.620000    reduced_to: 25  - symbol: I  # 37    coordinates: [  0.000000000000000,  0.163986975000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.500000000000000,  0.163986975000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.000000000000000,  0.663986975000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.500000000000000,  0.663986975000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.000000000000000,  0.163986975000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 42    coordinates: [  0.500000000000000,  0.163986975000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 43    coordinates: [  0.000000000000000,  0.663986975000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 44    coordinates: [  0.500000000000000,  0.663986975000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 45    coordinates: [  0.000000000000000,  0.163986975000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 46    coordinates: [  0.500000000000000,  0.163986975000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 47    coordinates: [  0.000000000000000,  0.663986975000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 48    coordinates: [  0.500000000000000,  0.663986975000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 49    coordinates: [  0.000000000000000,  0.336013025000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.500000000000000,  0.336013025000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.000000000000000,  0.836013025000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.500000000000000,  0.836013025000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 53    coordinates: [  0.000000000000000,  0.336013025000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 54    coordinates: [  0.500000000000000,  0.336013025000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 55    coordinates: [  0.000000000000000,  0.836013025000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 56    coordinates: [  0.500000000000000,  0.836013025000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 57    coordinates: [  0.000000000000000,  0.336013025000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 58    coordinates: [  0.500000000000000,  0.336013025000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 59    coordinates: [  0.000000000000000,  0.836013025000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 60    coordinates: [  0.500000000000000,  0.836013025000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 61    coordinates: [  0.163986975000000,  0.000000000000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 62    coordinates: [  0.663986975000000,  0.000000000000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 63    coordinates: [  0.163986975000000,  0.500000000000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 64    coordinates: [  0.663986975000000,  0.500000000000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 65    coordinates: [  0.163986975000000,  0.000000000000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 66    coordinates: [  0.663986975000000,  0.000000000000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 67    coordinates: [  0.163986975000000,  0.500000000000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 68    coordinates: [  0.663986975000000,  0.500000000000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 69    coordinates: [  0.163986975000000,  0.000000000000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 70    coordinates: [  0.663986975000000,  0.000000000000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 71    coordinates: [  0.163986975000000,  0.500000000000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 72    coordinates: [  0.663986975000000,  0.500000000000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 73    coordinates: [  0.336013025000000,  0.000000000000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.836013025000000,  0.000000000000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 75    coordinates: [  0.336013025000000,  0.500000000000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 76    coordinates: [  0.836013025000000,  0.500000000000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 77    coordinates: [  0.336013025000000,  0.000000000000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 78    coordinates: [  0.836013025000000,  0.000000000000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 79    coordinates: [  0.336013025000000,  0.500000000000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 80    coordinates: [  0.836013025000000,  0.500000000000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 81    coordinates: [  0.336013025000000,  0.000000000000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 82    coordinates: [  0.836013025000000,  0.000000000000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 83    coordinates: [  0.336013025000000,  0.500000000000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 84    coordinates: [  0.836013025000000,  0.500000000000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 85    coordinates: [  0.163986975000000,  0.163986975000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 86    coordinates: [  0.663986975000000,  0.163986975000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 87    coordinates: [  0.163986975000000,  0.663986975000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 88    coordinates: [  0.663986975000000,  0.663986975000000,  0.253712933333333 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 89    coordinates: [  0.163986975000000,  0.163986975000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 90    coordinates: [  0.663986975000000,  0.163986975000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 91    coordinates: [  0.163986975000000,  0.663986975000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 92    coordinates: [  0.663986975000000,  0.663986975000000,  0.587046266666667 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 93    coordinates: [  0.163986975000000,  0.163986975000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 94    coordinates: [  0.663986975000000,  0.163986975000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 95    coordinates: [  0.163986975000000,  0.663986975000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 96    coordinates: [  0.663986975000000,  0.663986975000000,  0.920379600000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 97    coordinates: [  0.336013025000000,  0.336013025000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 98    coordinates: [  0.836013025000000,  0.336013025000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 99    coordinates: [  0.336013025000000,  0.836013025000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 100    coordinates: [  0.836013025000000,  0.836013025000000,  0.079620400000000 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 101    coordinates: [  0.336013025000000,  0.336013025000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 102    coordinates: [  0.836013025000000,  0.336013025000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 103    coordinates: [  0.336013025000000,  0.836013025000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 104    coordinates: [  0.836013025000000,  0.836013025000000,  0.412953733333333 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 105    coordinates: [  0.336013025000000,  0.336013025000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 106    coordinates: [  0.836013025000000,  0.336013025000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 107    coordinates: [  0.336013025000000,  0.836013025000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 97  - symbol: I  # 108    coordinates: [  0.836013025000000,  0.836013025000000,  0.746287066666667 ]    mass: 126.904470    reduced_to: 97born_effective_charge:- # 1 (Ba)  - [  2.709283230000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.709283230000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.200897000000000 ]- # 2 (Ba)  - [  2.709283230000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.709283230000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.200897000000000 ]- # 3 (Sr)  - [  2.670294440000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.670294440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.479508930000000 ]- # 4 (I)  - [ -1.340826300000000,  0.012673730000000,  0.325084400000000 ]  - [  0.012673730000000, -1.355460660000000, -0.563062690000000 ]  - [  0.351237300000000, -0.608360860000000, -1.146883820000000 ]- # 5 (I)  - [ -1.340826300000000,  0.012673730000000,  0.325084400000000 ]  - [  0.012673730000000, -1.355460660000000, -0.563062690000000 ]  - [  0.351237300000000, -0.608360860000000, -1.146883820000000 ]- # 6 (I)  - [ -1.362777842140705, -0.000000001232086, -0.650168793315041 ]  - [ -0.000000001239787, -1.333509117859295, -0.000000003859563 ]  - [ -0.702474609588229,  0.000000005535767, -1.146883820000000 ]- # 7 (I)  - [ -1.362777842140705, -0.000000001232086, -0.650168793315041 ]  - [ -0.000000001239787, -1.333509117859295, -0.000000003859563 ]  - [ -0.702474609588229,  0.000000005535767, -1.146883820000000 ]- # 8 (I)  - [ -1.340826297859295, -0.012673728756362,  0.325084393315040 ]  - [ -0.012673728771765, -1.355460662140705,  0.563062693859564 ]  - [  0.351237309588230,  0.608360854464233, -1.146883820000000 ]- # 9 (I)  - [ -1.340826297859295, -0.012673728756362,  0.325084393315040 ]  - [ -0.012673728771765, -1.355460662140705,  0.563062693859564 ]  - [  0.351237309588230,  0.608360854464233, -1.146883820000000 ]dielectric_constant:  - [  3.593994880000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.593994880000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.487140730000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - 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[   0.0001761300000000,  0.0005604200000000, -0.0001971200000000 ]  - [   0.0003432100000000,  0.0005360300000000, -0.0001921400000000 ]  - [   0.0003121900000000,  0.0005014500000000, -0.0001959800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0290273200000000 ]  - [  -0.0000455900000000, -0.0000000500000000, -0.0007397300000000 ]  - [   0.0000228400000000, -0.0000394500000000, -0.0007397300000000 ]  - [   0.0000227500000000,  0.0000395100000000, -0.0007397300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010781700000000 ]  - [  -0.0001081400000000, -0.0000386300000000,  0.0003111100000000 ]  - [   0.0000875300000000, -0.0000743400000000,  0.0003111100000000 ]  - [   0.0000206200000000,  0.0001129700000000,  0.0003111100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010738700000000 ]  - [  -0.0001088800000000,  0.0000391500000000,  0.0003113700000000 ]  - 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