# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bd97ca47-a354-45d0-8f9a-cb214decbc0b/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 LiSbF6 / R-3 (148) / materials id 3980](https://mdr.nims.go.jp/datasets/14b2c404-5efb-40a4-9d1d-2d4bd443ba0f)

## 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-3"  number: 148  Hall_symbol: "-R 3"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:  - [     2.570783403333335,     1.484242453333332,     4.549168563333328 ] # a  - [    -2.570783376666664,     1.484242503333332,     4.549168563333328 ] # b  - [    -0.000000026666664,    -2.968484956666668,     4.549168563333328 ] # c  points:  - symbol: Li # 1    coordinates: [  0.500000000000000,  0.500000010000001,  0.500000000000000 ]    mass: 6.941000  - symbol: F  # 2    coordinates: [  0.241835990000000,  0.641716020000000,  0.874417970000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.641716020000000,  0.874417970000001,  0.241835990000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.125582030000000,  0.758164000000000,  0.358283980000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.874417970000000,  0.241835990000001,  0.641716020000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.358283980000000,  0.125582030000000,  0.758164000000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.758164000000000,  0.358283980000000,  0.125582030000000 ]    mass: 18.998403  - symbol: Sb # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.194493244647605,     0.112290725071132,     0.073273462764169 ] # a*  - [    -0.194493242463626,     0.112290728565498,     0.073273462764169 ] # b*  - [    -0.000000002183979,    -0.224581453636629,     0.073273462764169 ] # c*unit_cell:  lattice:  - [     5.141566780000000,    -0.000000050000000,     0.000000000000000 ] # a  - [    -2.570783350000000,     4.452727460000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.647505689999999 ] # c  points:  - symbol: Li # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.989179330000000,  0.378238690000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.389059360000000,  0.010820670000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.044905360000000,  0.722392690000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.621761310000000,  0.610940640000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.277607310000000,  0.322512670000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.677487330000000,  0.955094640000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.655846000000000,  0.711572030000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.055726030000000,  0.344154000000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.711572030000000,  0.055726030000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 13    coordinates: [  0.288427970000000,  0.944273970000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 14    coordinates: [  0.944273970000000,  0.655846000000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 15    coordinates: [  0.344154000000000,  0.288427970000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 16    coordinates: [  0.322512670000000,  0.044905360000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.722392690000000,  0.677487330000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 18    coordinates: [  0.378238690000000,  0.389059360000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 19    coordinates: [  0.955094640000000,  0.277607310000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 20    coordinates: [  0.610940640000000,  0.989179330000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 21    coordinates: [  0.010820670000000,  0.621761310000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 9  - symbol: Sb # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 24    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 22supercell:  lattice:  - [    10.283133560000000,    -0.000000100000000,     0.000000000000000 ] # a  - [    -5.141566700000000,     8.905454920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.647505689999999 ] # c  points:  - symbol: Li # 1    coordinates: [  0.166666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.666666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.166666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.666666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.333333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.833333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.333333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.833333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: F  # 13    coordinates: [  0.494589665000000,  0.189119345000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.994589665000000,  0.189119345000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.494589665000000,  0.689119345000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 16    coordinates: [  0.994589665000000,  0.689119345000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 17    coordinates: [  0.194529680000000,  0.005410335000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.694529680000000,  0.005410335000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.194529680000000,  0.505410335000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 20    coordinates: [  0.694529680000000,  0.505410335000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 21    coordinates: [  0.022452680000000,  0.361196345000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.522452680000000,  0.361196345000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.022452680000000,  0.861196345000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 24    coordinates: [  0.522452680000000,  0.861196345000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 25    coordinates: [  0.310880655000000,  0.305470320000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.810880655000000,  0.305470320000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.310880655000000,  0.805470320000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 28    coordinates: [  0.810880655000000,  0.805470320000000,  0.252656660000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 29    coordinates: [  0.138803655000000,  0.161256335000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.638803655000000,  0.161256335000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 31    coordinates: [  0.138803655000000,  0.661256335000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 32    coordinates: [  0.638803655000000,  0.661256335000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 33    coordinates: [  0.338743665000000,  0.477547320000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.838743665000000,  0.477547320000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.338743665000000,  0.977547320000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 36    coordinates: [  0.838743665000000,  0.977547320000000,  0.080676670000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 37    coordinates: [  0.327923000000000,  0.355786015000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 38    coordinates: [  0.827923000000000,  0.355786015000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 39    coordinates: [  0.327923000000000,  0.855786015000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 40    coordinates: [  0.827923000000000,  0.855786015000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 41    coordinates: [  0.027863015000000,  0.172077000000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 42    coordinates: [  0.527863015000000,  0.172077000000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 43    coordinates: [  0.027863015000000,  0.672077000000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 44    coordinates: [  0.527863015000000,  0.672077000000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 45    coordinates: [  0.355786015000000,  0.027863015000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 46    coordinates: [  0.855786015000000,  0.027863015000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 47    coordinates: [  0.355786015000000,  0.527863015000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 48    coordinates: [  0.855786015000000,  0.527863015000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 49    coordinates: [  0.144213985000000,  0.472136985000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 50    coordinates: [  0.644213985000000,  0.472136985000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 51    coordinates: [  0.144213985000000,  0.972136985000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 52    coordinates: [  0.644213985000000,  0.972136985000000,  0.585989990000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 53    coordinates: [  0.472136985000000,  0.327923000000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 54    coordinates: [  0.972136985000000,  0.327923000000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 55    coordinates: [  0.472136985000000,  0.827923000000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 56    coordinates: [  0.972136985000000,  0.827923000000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 57    coordinates: [  0.172077000000000,  0.144213985000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 58    coordinates: [  0.672077000000000,  0.144213985000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 59    coordinates: [  0.172077000000000,  0.644213985000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 60    coordinates: [  0.672077000000000,  0.644213985000000,  0.414010010000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 61    coordinates: [  0.161256335000000,  0.022452680000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 62    coordinates: [  0.661256335000000,  0.022452680000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 63    coordinates: [  0.161256335000000,  0.522452680000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 64    coordinates: [  0.661256335000000,  0.522452680000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 65    coordinates: [  0.361196345000000,  0.338743665000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 66    coordinates: [  0.861196345000000,  0.338743665000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 67    coordinates: [  0.361196345000000,  0.838743665000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 68    coordinates: [  0.861196345000000,  0.838743665000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 69    coordinates: [  0.189119345000000,  0.194529680000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 70    coordinates: [  0.689119345000000,  0.194529680000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 71    coordinates: [  0.189119345000000,  0.694529680000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 72    coordinates: [  0.689119345000000,  0.694529680000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 73    coordinates: [  0.477547320000000,  0.138803655000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 74    coordinates: [  0.977547320000000,  0.138803655000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 75    coordinates: [  0.477547320000000,  0.638803655000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 76    coordinates: [  0.977547320000000,  0.638803655000000,  0.919323330000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 77    coordinates: [  0.305470320000000,  0.494589665000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 78    coordinates: [  0.805470320000000,  0.494589665000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 79    coordinates: [  0.305470320000000,  0.994589665000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 80    coordinates: [  0.805470320000000,  0.994589665000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 81    coordinates: [  0.005410335000000,  0.310880655000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 82    coordinates: [  0.505410335000000,  0.310880655000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 83    coordinates: [  0.005410335000000,  0.810880655000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 84    coordinates: [  0.505410335000000,  0.810880655000000,  0.747343340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: Sb # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 89    coordinates: [  0.333333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 90    coordinates: [  0.833333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 91    coordinates: [  0.333333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 92    coordinates: [  0.833333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 93    coordinates: [  0.166666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 94    coordinates: [  0.666666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 95    coordinates: [  0.166666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 96    coordinates: [  0.666666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 85born_effective_charge:- # 1 (Li)  - [  1.204588350000000,  0.156021380000000,  0.000000000000000 ]  - [ -0.156021380000000,  1.204588350000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.294071900000000 ]- # 2 (F)  - [ -1.044781820000000, -0.133592350000000,  0.326719290000000 ]  - [ -0.116462120000000, -0.692800830000000,  0.114897060000000 ]  - [  0.319539620000000,  0.115101250000000, -0.870147780000000 ]- # 3 (F)  - [ -0.672519315796000, -0.098463737334811, -0.063855872691853 ]  - [ -0.081333506597670, -1.065063334204000, -0.340395735718286 ]  - [ -0.060089203024803, -0.334280052780272, -0.870147780000000 ]- # 4 (F)  - [ -0.889072839184949,  0.206360741022642, -0.262863417308147 ]  - [  0.223490973045268, -0.848509810815051,  0.225498675718286 ]  - [ -0.259450416975197,  0.219178802780272, -0.870147780000000 ]- # 5 (F)  - [ -0.889072839184949,  0.206360741022642, -0.262863417308147 ]  - [  0.223490973045268, -0.848509810815051,  0.225498675718286 ]  - [ -0.259450416975197,  0.219178802780272, -0.870147780000000 ]- # 6 (F)  - [ -0.672519315796000, -0.098463737334811, -0.063855872691853 ]  - [ -0.081333506597670, -1.065063334204000, -0.340395735718286 ]  - [ -0.060089203024803, -0.334280052780272, -0.870147780000000 ]- # 7 (F)  - [ -1.044781820000000, -0.133592350000000,  0.326719290000000 ]  - [ -0.116462120000000, -0.692800830000000,  0.114897060000000 ]  - [  0.319539620000000,  0.115101250000000, -0.870147780000000 ]- # 8 (Sb)  - [  4.008159580000000, -0.104630670000000, -0.000000000000000 ]  - [  0.104630670000000,  4.008159580000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  3.926814760000000 ]dielectric_constant:  - [  2.088842260000000, -0.000000040000000,  0.000000000000000 ]  - [  0.000000040000000,  2.088842270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.092582650000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000, -0.0000000000972466,  0.0000000000000000 ]  forces:  - [  -0.0250959000000000, -0.0000006600000000, -0.0000059000000000 ]  - [   0.0024688900000000,  0.0004478900000000, -0.0001135800000000 ]  - [   0.0006467600000000, -0.0015002600000000, -0.0004861100000000 ]  - [  -0.0001313200000000,  0.0010514600000000,  0.0005996200000000 ]  - [  -0.0007461600000000, -0.0002685700000000,  0.0000536800000000 ]  - [   0.0005047000000000, -0.0000005400000000,  0.0000001400000000 ]  - 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