# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/caa262fe-2107-4ca1-bf78-2db31620af23/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 TbH2Br / R-3m (166) / materials id 642807](https://mdr.nims.go.jp/datasets/2309950c-4c98-4d2a-9427-050cdbbe910e)

## 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:  - [     1.859832470000002,     1.073774776666665,    10.221106673333322 ] # a  - [    -1.859832469999998,     1.073774776666665,    10.221106673333322 ] # b  - [     0.000000000000002,    -2.147549553333334,    10.221106673333322 ] # c  points:  - symbol: Tb # 1    coordinates: [  0.885074540000000,  0.885074540000003,  0.885074540000000 ]    mass: 158.925350  - symbol: Tb # 2    coordinates: [  0.114925450000000,  0.114925460000002,  0.114925450000000 ]    mass: 158.925350  - symbol: H  # 3    coordinates: [  0.812944820000000,  0.812944820000002,  0.812944820000000 ]    mass: 1.007940  - symbol: H  # 4    coordinates: [  0.187055180000000,  0.187055190000003,  0.187055180000000 ]    mass: 1.007940  - symbol: H  # 5    coordinates: [  0.544836470000000,  0.544836460000002,  0.544836470000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.455163530000000,  0.455163520000002,  0.455163530000000 ]    mass: 1.007940  - symbol: Br # 7    coordinates: [  0.719140930000000,  0.719140930000002,  0.719140930000000 ]    mass: 79.904000  - symbol: Br # 8    coordinates: [  0.280859070000000,  0.280859080000003,  0.280859070000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.268841418818761,     0.155215665601731,     0.032612254620431 ] # a*  - [    -0.268841418818761,     0.155215665601731,     0.032612254620431 ] # b*  - [    -0.000000000000000,    -0.310431331203462,     0.032612254620431 ] # c*unit_cell:  lattice:  - [     3.719664940000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.859832470000000,     3.221324330000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    30.663320020000000 ] # c  points:  - symbol: Tb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.885074540000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.781592120000000 ]    mass: 158.925350    reduced_to: 2  - symbol: Tb # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.218407880000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.114925460000000 ]    mass: 158.925350    reduced_to: 2  - symbol: Tb # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.551741210000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.448258790000000 ]    mass: 158.925350    reduced_to: 2  - symbol: H  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.812944820000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.853721850000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.878169800000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.788496860000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.666666670000000,  0.333333330000000,  0.146278150000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.187055180000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 13    coordinates: [  0.333333330000000,  0.666666670000000,  0.211503140000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.121830200000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.479611480000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.520388520000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.544836470000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.455163530000000 ]    mass: 1.007940    reduced_to: 10  - symbol: Br # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.719140930000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.947525740000000 ]    mass: 79.904000    reduced_to: 20  - symbol: Br # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.052474260000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.280859070000000 ]    mass: 79.904000    reduced_to: 20  - symbol: Br # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.385807590000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 24    coordinates: [  0.666666670000000,  0.333333330000000,  0.614192410000000 ]    mass: 79.904000    reduced_to: 20supercell:  lattice:  - [     7.439329880000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.719664940000000,     6.442648660000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    30.663320020000000 ] # c  points:  - symbol: Tb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.885074540000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.885074540000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.885074540000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.885074540000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 5    coordinates: [  0.166666665000000,  0.333333335000000,  0.781592120000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 6    coordinates: [  0.666666665000000,  0.333333335000000,  0.781592120000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 7    coordinates: [  0.166666665000000,  0.833333335000000,  0.781592120000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 8    coordinates: [  0.666666665000000,  0.833333335000000,  0.781592120000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 9    coordinates: [  0.333333335000000,  0.166666665000000,  0.218407880000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 10    coordinates: [  0.833333335000000,  0.166666665000000,  0.218407880000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 11    coordinates: [  0.333333335000000,  0.666666665000000,  0.218407880000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 12    coordinates: [  0.833333335000000,  0.666666665000000,  0.218407880000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.114925460000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.114925460000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.114925460000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.114925460000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 17    coordinates: [  0.166666665000000,  0.333333335000000,  0.551741210000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 18    coordinates: [  0.666666665000000,  0.333333335000000,  0.551741210000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 19    coordinates: [  0.166666665000000,  0.833333335000000,  0.551741210000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 20    coordinates: [  0.666666665000000,  0.833333335000000,  0.551741210000000 ]    mass: 158.925350    reduced_to: 1  - symbol: Tb # 21    coordinates: [  0.333333335000000,  0.166666665000000,  0.448258790000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 22    coordinates: [  0.833333335000000,  0.166666665000000,  0.448258790000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 23    coordinates: [  0.333333335000000,  0.666666665000000,  0.448258790000000 ]    mass: 158.925350    reduced_to: 5  - symbol: Tb # 24    coordinates: [  0.833333335000000,  0.666666665000000,  0.448258790000000 ]    mass: 158.925350    reduced_to: 5  - symbol: H  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.812944820000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.812944820000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 27    coordinates: [  0.000000000000000,  0.500000000000000,  0.812944820000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 28    coordinates: [  0.500000000000000,  0.500000000000000,  0.812944820000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 29    coordinates: [  0.166666665000000,  0.333333335000000,  0.853721850000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 30    coordinates: [  0.666666665000000,  0.333333335000000,  0.853721850000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 31    coordinates: [  0.166666665000000,  0.833333335000000,  0.853721850000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 32    coordinates: [  0.666666665000000,  0.833333335000000,  0.853721850000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 33    coordinates: [  0.333333335000000,  0.166666665000000,  0.878169800000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 34    coordinates: [  0.833333335000000,  0.166666665000000,  0.878169800000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 35    coordinates: [  0.333333335000000,  0.666666665000000,  0.878169800000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 36    coordinates: [  0.833333335000000,  0.666666665000000,  0.878169800000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 37    coordinates: [  0.333333335000000,  0.166666665000000,  0.788496860000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 38    coordinates: [  0.833333335000000,  0.166666665000000,  0.788496860000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 39    coordinates: [  0.333333335000000,  0.666666665000000,  0.788496860000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 40    coordinates: [  0.833333335000000,  0.666666665000000,  0.788496860000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 41    coordinates: [  0.333333335000000,  0.166666665000000,  0.146278150000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 42    coordinates: [  0.833333335000000,  0.166666665000000,  0.146278150000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 43    coordinates: [  0.333333335000000,  0.666666665000000,  0.146278150000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 44    coordinates: [  0.833333335000000,  0.666666665000000,  0.146278150000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.187055180000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.187055180000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 47    coordinates: [  0.000000000000000,  0.500000000000000,  0.187055180000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.187055180000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 49    coordinates: [  0.166666665000000,  0.333333335000000,  0.211503140000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 50    coordinates: [  0.666666665000000,  0.333333335000000,  0.211503140000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 51    coordinates: [  0.166666665000000,  0.833333335000000,  0.211503140000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 52    coordinates: [  0.666666665000000,  0.833333335000000,  0.211503140000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 53    coordinates: [  0.166666665000000,  0.333333335000000,  0.121830200000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 54    coordinates: [  0.666666665000000,  0.333333335000000,  0.121830200000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 55    coordinates: [  0.166666665000000,  0.833333335000000,  0.121830200000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 56    coordinates: [  0.666666665000000,  0.833333335000000,  0.121830200000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 57    coordinates: [  0.166666665000000,  0.333333335000000,  0.479611480000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 58    coordinates: [  0.666666665000000,  0.333333335000000,  0.479611480000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 59    coordinates: [  0.166666665000000,  0.833333335000000,  0.479611480000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 60    coordinates: [  0.666666665000000,  0.833333335000000,  0.479611480000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 61    coordinates: [  0.333333335000000,  0.166666665000000,  0.520388520000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 62    coordinates: [  0.833333335000000,  0.166666665000000,  0.520388520000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 63    coordinates: [  0.333333335000000,  0.666666665000000,  0.520388520000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 64    coordinates: [  0.833333335000000,  0.666666665000000,  0.520388520000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.544836470000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.544836470000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.544836470000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.544836470000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.455163530000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.455163530000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.455163530000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.455163530000000 ]    mass: 1.007940    reduced_to: 37  - symbol: Br # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.719140930000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 74    coordinates: [  0.500000000000000,  0.000000000000000,  0.719140930000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 75    coordinates: [  0.000000000000000,  0.500000000000000,  0.719140930000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 76    coordinates: [  0.500000000000000,  0.500000000000000,  0.719140930000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 77    coordinates: [  0.166666665000000,  0.333333335000000,  0.947525740000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 78    coordinates: [  0.666666665000000,  0.333333335000000,  0.947525740000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 79    coordinates: [  0.166666665000000,  0.833333335000000,  0.947525740000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 80    coordinates: [  0.666666665000000,  0.833333335000000,  0.947525740000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 81    coordinates: [  0.333333335000000,  0.166666665000000,  0.052474260000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 82    coordinates: [  0.833333335000000,  0.166666665000000,  0.052474260000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 83    coordinates: [  0.333333335000000,  0.666666665000000,  0.052474260000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 84    coordinates: [  0.833333335000000,  0.666666665000000,  0.052474260000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.280859070000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.280859070000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.280859070000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.280859070000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 89    coordinates: [  0.166666665000000,  0.333333335000000,  0.385807590000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 90    coordinates: [  0.666666665000000,  0.333333335000000,  0.385807590000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 91    coordinates: [  0.166666665000000,  0.833333335000000,  0.385807590000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 92    coordinates: [  0.666666665000000,  0.833333335000000,  0.385807590000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 93    coordinates: [  0.333333335000000,  0.166666665000000,  0.614192410000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 94    coordinates: [  0.833333335000000,  0.166666665000000,  0.614192410000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 95    coordinates: [  0.333333335000000,  0.666666665000000,  0.614192410000000 ]    mass: 79.904000    reduced_to: 77  - symbol: Br # 96    coordinates: [  0.833333335000000,  0.666666665000000,  0.614192410000000 ]    mass: 79.904000    reduced_to: 77born_effective_charge:- # 1 (Tb)  - [  3.950685040000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  3.950685040000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.808768140000000 ]- # 2 (Tb)  - [  3.950685040000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  3.950685040000000, -0.000000000000001 ]  - [  0.000000000000000, -0.000000000000000,  1.808768140000000 ]- # 3 (H)  - [ -1.327617450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.327617450000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.743495720000000 ]- # 4 (H)  - [ -1.327617450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.327617450000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.743495720000000 ]- # 5 (H)  - [ -1.530868190000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.530868190000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.290687070000000 ]- # 6 (H)  - [ -1.530868190000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.530868190000000,  0.000000000000001 ]  - [ -0.000000000000000,  0.000000000000000, -0.290687070000000 ]- # 7 (Br)  - [ -1.092199410000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.092199410000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.774585350000000 ]- # 8 (Br)  - [ -1.092199410000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.092199410000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.774585350000000 ]dielectric_constant:  - [  7.492167260000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  7.492167270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.486170430000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1235175400000000, -0.0001965500000000, -0.0000811000000000 ]  - [   0.0372104100000000,  0.0000174500000000, -0.0000619300000000 ]  - [   0.0044050400000000, -0.0189656200000000, -0.0010743500000000 ]  - [   0.0043847700000000,  0.0189238400000000,  0.0010199800000000 ]  - [   0.0000147900000000,  0.0000010600000000,  0.0000181800000000 ]  - [   0.0003956200000000,  0.0000032100000000,  0.0000272000000000 ]  - 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