# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8d289b92-b716-4891-a17c-042e3d517955/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 CdSnF6 / R-3 (148) / materials id 13907](https://mdr.nims.go.jp/datasets/9189bc42-9b59-4933-892a-b359c1d2c24b)

## 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:  - [     2.682426743333336,     1.548700036666665,     4.924603856666661 ] # a  - [    -2.682426946666664,     1.548699686666665,     4.924603856666661 ] # b  - [     0.000000203333336,    -3.097399723333334,     4.924603856666661 ] # c  points:  - symbol: F  # 1    coordinates: [  0.368796290000000,  0.098734390000002,  0.766714850000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.766714850000000,  0.368796280000002,  0.098734400000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.901265590000000,  0.233285160000003,  0.631203700000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.233285150000000,  0.631203710000003,  0.901265590000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.631203700000000,  0.901265600000003,  0.233285150000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.098734400000000,  0.766714840000002,  0.368796290000000 ]    mass: 18.998403  - symbol: Cd # 7    coordinates: [  0.500000000000000,  0.499999990000002,  0.500000000000000 ]    mass: 112.411000  - symbol: Sn # 8    coordinates: [  0.000000000000000,  0.000000010000002,  0.000000000000000 ]    mass: 118.710000  reciprocal_lattice: # without 2pi  - [     0.186398366128414,     0.107617163107257,     0.067687339537389 ] # a*  - [    -0.186398380170177,     0.107617138634469,     0.067687339537389 ] # b*  - [     0.000000014041763,    -0.215234301741726,     0.067687339537389 ] # c*unit_cell:  lattice:  - [     5.364853690000000,     0.000000350000000,     0.000000000000000 ] # a  - [    -2.682427150000000,     4.646099410000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.773811569999999 ] # c  points:  - symbol: F  # 1    coordinates: [  0.624047780000000,  0.978033660000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.021966340000000,  0.646014110000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.979347440000000,  0.290714450000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.311367000000000,  0.020652560000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.709285550000000,  0.688633000000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.353985890000000,  0.375952220000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.290714450000000,  0.311367000000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.688633000000000,  0.979347440000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 9    coordinates: [  0.646014110000000,  0.624047780000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 10    coordinates: [  0.978033660000000,  0.353985890000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.375952220000000,  0.021966340000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.020652560000000,  0.709285550000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 13    coordinates: [  0.957381110000000,  0.644700330000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 14    coordinates: [  0.355299670000000,  0.312680770000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 15    coordinates: [  0.312680770000000,  0.957381110000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 16    coordinates: [  0.644700330000000,  0.687319230000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.042618890000000,  0.355299670000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 18    coordinates: [  0.687319230000000,  0.042618890000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 6  - symbol: Cd # 19    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 112.411000    reduced_to: 19  - symbol: Cd # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 112.411000    reduced_to: 19  - symbol: Cd # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 19  - symbol: Sn # 22    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 118.710000    reduced_to: 22  - symbol: Sn # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 22  - symbol: Sn # 24    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 118.710000    reduced_to: 22supercell:  lattice:  - [    10.729707380000001,     0.000000700000000,     0.000000000000000 ] # a  - [    -5.364854300000000,     9.292198819999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.773811569999999 ] # c  points:  - symbol: F  # 1    coordinates: [  0.312023890000000,  0.489016830000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.812023890000000,  0.489016830000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.312023890000000,  0.989016830000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.812023890000000,  0.989016830000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.010983170000000,  0.323007055000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.510983170000000,  0.323007055000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 7    coordinates: [  0.010983170000000,  0.823007055000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 8    coordinates: [  0.510983170000000,  0.823007055000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 9    coordinates: [  0.489673720000000,  0.145357225000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.989673720000000,  0.145357225000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.489673720000000,  0.645357225000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 12    coordinates: [  0.989673720000000,  0.645357225000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 13    coordinates: [  0.155683500000000,  0.010326280000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.655683500000000,  0.010326280000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.155683500000000,  0.510326280000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 16    coordinates: [  0.655683500000000,  0.510326280000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 17    coordinates: [  0.354642775000000,  0.344316500000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.854642775000000,  0.344316500000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.354642775000000,  0.844316500000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 20    coordinates: [  0.854642775000000,  0.844316500000000,  0.921918150000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 21    coordinates: [  0.176992945000000,  0.187976110000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.676992945000000,  0.187976110000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.176992945000000,  0.687976110000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 24    coordinates: [  0.676992945000000,  0.687976110000000,  0.744748510000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 25    coordinates: [  0.145357225000000,  0.155683500000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 26    coordinates: [  0.645357225000000,  0.155683500000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 27    coordinates: [  0.145357225000000,  0.655683500000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 28    coordinates: [  0.645357225000000,  0.655683500000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 29    coordinates: [  0.344316500000000,  0.489673720000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 30    coordinates: [  0.844316500000000,  0.489673720000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 31    coordinates: [  0.344316500000000,  0.989673720000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 32    coordinates: [  0.844316500000000,  0.989673720000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 33    coordinates: [  0.323007055000000,  0.312023890000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 34    coordinates: [  0.823007055000000,  0.312023890000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 35    coordinates: [  0.323007055000000,  0.812023890000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 36    coordinates: [  0.823007055000000,  0.812023890000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 37    coordinates: [  0.489016830000000,  0.176992945000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 38    coordinates: [  0.989016830000000,  0.176992945000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 39    coordinates: [  0.489016830000000,  0.676992945000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 40    coordinates: [  0.989016830000000,  0.676992945000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 41    coordinates: [  0.187976110000000,  0.010983170000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 42    coordinates: [  0.687976110000000,  0.010983170000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 43    coordinates: [  0.187976110000000,  0.510983170000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 44    coordinates: [  0.687976110000000,  0.510983170000000,  0.255251490000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 45    coordinates: [  0.010326280000000,  0.354642775000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 46    coordinates: [  0.510326280000000,  0.354642775000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 47    coordinates: [  0.010326280000000,  0.854642775000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 48    coordinates: [  0.510326280000000,  0.854642775000000,  0.078081850000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 49    coordinates: [  0.478690555000000,  0.322350165000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 50    coordinates: [  0.978690555000000,  0.322350165000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 51    coordinates: [  0.478690555000000,  0.822350165000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 52    coordinates: [  0.978690555000000,  0.822350165000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 53    coordinates: [  0.177649835000000,  0.156340385000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 54    coordinates: [  0.677649835000000,  0.156340385000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 55    coordinates: [  0.177649835000000,  0.656340385000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 56    coordinates: [  0.677649835000000,  0.656340385000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 57    coordinates: [  0.156340385000000,  0.478690555000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 58    coordinates: [  0.656340385000000,  0.478690555000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 59    coordinates: [  0.156340385000000,  0.978690555000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 60    coordinates: [  0.656340385000000,  0.978690555000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 61    coordinates: [  0.322350165000000,  0.343659615000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 62    coordinates: [  0.822350165000000,  0.343659615000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 63    coordinates: [  0.322350165000000,  0.843659615000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 64    coordinates: [  0.822350165000000,  0.843659615000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 65    coordinates: [  0.021309445000000,  0.177649835000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 66    coordinates: [  0.521309445000000,  0.177649835000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 67    coordinates: [  0.021309445000000,  0.677649835000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 68    coordinates: [  0.521309445000000,  0.677649835000000,  0.588584820000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 69    coordinates: [  0.343659615000000,  0.021309445000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 70    coordinates: [  0.843659615000000,  0.021309445000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 71    coordinates: [  0.343659615000000,  0.521309445000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 72    coordinates: [  0.843659615000000,  0.521309445000000,  0.411415180000000 ]    mass: 18.998403    reduced_to: 21  - symbol: Cd # 73    coordinates: [  0.333333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 74    coordinates: [  0.833333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 75    coordinates: [  0.333333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 76    coordinates: [  0.833333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 77    coordinates: [  0.166666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 78    coordinates: [  0.666666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 79    coordinates: [  0.166666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 80    coordinates: [  0.666666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Cd # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 73  - symbol: Sn # 85    coordinates: [  0.166666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 86    coordinates: [  0.666666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 87    coordinates: [  0.166666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 88    coordinates: [  0.666666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 92    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 93    coordinates: [  0.333333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 94    coordinates: [  0.833333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 95    coordinates: [  0.333333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 118.710000    reduced_to: 85  - symbol: Sn # 96    coordinates: [  0.833333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 118.710000    reduced_to: 85born_effective_charge:- # 1 (F)  - [ -0.730103800000000, -0.034119670000000, -0.045040780000000 ]  - [ -0.082334500000000, -1.292984830000000, -0.502309260000000 ]  - [ -0.051942420000000, -0.492228800000000, -1.061731130000000 ]- # 2 (F)  - [ -1.202690707321452, -0.190513678008794,  0.457532969875683 ]  - [ -0.238728508267392, -0.820397922678548,  0.212148170506525 ]  - [  0.452253855120762,  0.201130944554312, -1.061731130000000 ]- # 3 (F)  - [ -1.101838437707985,  0.296955593452051, -0.412492189875683 ]  - [  0.248740762882456, -0.921250192292015,  0.290161089493475 ]  - [ -0.400311435120762,  0.291097855445688, -1.061731130000000 ]- # 4 (F)  - [ -1.202690707321452, -0.190513678008794,  0.457532969875683 ]  - [ -0.238728508267392, -0.820397922678548,  0.212148170506525 ]  - [  0.452253855120762,  0.201130944554312, -1.061731130000000 ]- # 5 (F)  - [ -0.730103800000000, -0.034119670000000, -0.045040780000000 ]  - [ -0.082334500000000, -1.292984830000000, -0.502309260000000 ]  - [ -0.051942420000000, -0.492228800000000, -1.061731130000000 ]- # 6 (F)  - [ -1.101838437707985,  0.296955593452051, -0.412492189875683 ]  - [  0.248740762882456, -0.921250192292015,  0.290161089493475 ]  - [ -0.400311435120762,  0.291097855445688, -1.061731130000000 ]- # 7 (Cd)  - [  2.383868810000000,  0.224514340000000, -0.000000000000000 ]  - [ -0.224514340000000,  2.383868810000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.563342430000000 ]- # 8 (Sn)  - [  3.685397070000000, -0.369158830000000, -0.000000000000000 ]  - [  0.369158840000000,  3.685397070000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  3.807044360000000 ]dielectric_constant:  - [  2.306944150000000,  0.000000290000000,  0.000000000000000 ]  - [ -0.000000290000000,  2.306944150000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.367064900000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000006523943,  0.0000000000000000 ]  forces:  - [  -0.0425970500000000, -0.0254646900000000, -0.0200307200000000 ]  - [   0.0015891600000000, -0.0002900000000000, -0.0002969800000000 ]  - [   0.0008523000000000, -0.0010342000000000, -0.0005683600000000 ]  - [   0.0009727200000000,  0.0008420900000000,  0.0001550700000000 ]  - [   0.0070776700000000,  0.0081628100000000, -0.0014690600000000 ]  - [   0.0015575200000000,  0.0001048900000000, -0.0006734200000000 ]  - 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