# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f2e57793-34d3-43e8-8e0c-7d7fb465da73/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 LiCoS2 / P-3m1 (164) / materials id 753946](https://mdr.nims.go.jp/datasets/863c583a-b4be-45b4-b6a1-5d7272f3e2a7)

## 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-3m1"  number: 164  Hall_symbol: "-P 3 2\""supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.369660780000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.684830390000000,     2.918211830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.572260330000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Co # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 58.933195  - symbol: S  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.701457110000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.298542890000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.296765777117779,     0.171337801752383,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.342675603504767,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.179460387845878 ] # c*unit_cell:  lattice:  - [     3.369660780000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.684830390000000,     2.918211830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.572260330000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.701457110000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.298542890000000 ]    mass: 32.065000    reduced_to: 4supercell:  lattice:  - [    13.478643119999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.739321560000000,    11.672847320000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.144520660000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 15    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 20    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 21    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 22    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 24    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 26    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 29    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 30    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 31    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Co # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 50    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 54    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 58    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 61    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 62    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 63    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: Co # 64    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 58.933195    reduced_to: 33  - symbol: S  # 65    coordinates: [  0.083333332500000,  0.166666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.333333332500000,  0.166666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 67    coordinates: [  0.583333332500000,  0.166666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 68    coordinates: [  0.833333332500000,  0.166666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 69    coordinates: [  0.083333332500000,  0.416666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 70    coordinates: [  0.333333332500000,  0.416666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 71    coordinates: [  0.583333332500000,  0.416666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 72    coordinates: [  0.833333332500000,  0.416666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 73    coordinates: [  0.083333332500000,  0.666666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 74    coordinates: [  0.333333332500000,  0.666666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 75    coordinates: [  0.583333332500000,  0.666666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 76    coordinates: [  0.833333332500000,  0.666666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 77    coordinates: [  0.083333332500000,  0.916666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 78    coordinates: [  0.333333332500000,  0.916666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 79    coordinates: [  0.583333332500000,  0.916666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 80    coordinates: [  0.833333332500000,  0.916666667500000,  0.350728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 81    coordinates: [  0.083333332500000,  0.166666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 82    coordinates: [  0.333333332500000,  0.166666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 83    coordinates: [  0.583333332500000,  0.166666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 84    coordinates: [  0.833333332500000,  0.166666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 85    coordinates: [  0.083333332500000,  0.416666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 86    coordinates: [  0.333333332500000,  0.416666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 87    coordinates: [  0.583333332500000,  0.416666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 88    coordinates: [  0.833333332500000,  0.416666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 89    coordinates: [  0.083333332500000,  0.666666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 90    coordinates: [  0.333333332500000,  0.666666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 91    coordinates: [  0.583333332500000,  0.666666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 92    coordinates: [  0.833333332500000,  0.666666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 93    coordinates: [  0.083333332500000,  0.916666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 94    coordinates: [  0.333333332500000,  0.916666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 95    coordinates: [  0.583333332500000,  0.916666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 96    coordinates: [  0.833333332500000,  0.916666667500000,  0.850728555000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 97    coordinates: [  0.166666667500000,  0.083333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 98    coordinates: [  0.416666667500000,  0.083333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 99    coordinates: [  0.666666667500000,  0.083333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 100    coordinates: [  0.916666667500000,  0.083333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 101    coordinates: [  0.166666667500000,  0.333333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 102    coordinates: [  0.416666667500000,  0.333333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 103    coordinates: [  0.666666667500000,  0.333333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 104    coordinates: [  0.916666667500000,  0.333333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 105    coordinates: [  0.166666667500000,  0.583333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 106    coordinates: [  0.416666667500000,  0.583333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 107    coordinates: [  0.666666667500000,  0.583333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 108    coordinates: [  0.916666667500000,  0.583333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 109    coordinates: [  0.166666667500000,  0.833333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 110    coordinates: [  0.416666667500000,  0.833333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 111    coordinates: [  0.666666667500000,  0.833333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 112    coordinates: [  0.916666667500000,  0.833333332500000,  0.149271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 113    coordinates: [  0.166666667500000,  0.083333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 114    coordinates: [  0.416666667500000,  0.083333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 115    coordinates: [  0.666666667500000,  0.083333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 116    coordinates: [  0.916666667500000,  0.083333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 117    coordinates: [  0.166666667500000,  0.333333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 118    coordinates: [  0.416666667500000,  0.333333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 119    coordinates: [  0.666666667500000,  0.333333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 120    coordinates: [  0.916666667500000,  0.333333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 121    coordinates: [  0.166666667500000,  0.583333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 122    coordinates: [  0.416666667500000,  0.583333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 123    coordinates: [  0.666666667500000,  0.583333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 124    coordinates: [  0.916666667500000,  0.583333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 125    coordinates: [  0.166666667500000,  0.833333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 126    coordinates: [  0.416666667500000,  0.833333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 127    coordinates: [  0.666666667500000,  0.833333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 128    coordinates: [  0.916666667500000,  0.833333332500000,  0.649271445000000 ]    mass: 32.065000    reduced_to: 97born_effective_charge:- # 1 (Li)  - [  1.017375170000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.017375170000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.009054650000000 ]- # 2 (Co)  - [  1.257145310000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.257145300000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.199656530000000 ]- # 3 (S)  - [ -1.137260240000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.137260240000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.904699060000000 ]- # 4 (S)  - [ -1.137260240000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.137260240000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.904699060000000 ]dielectric_constant:  - [ 22.236401879999999,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 22.236401879999999,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 13.565686760000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0169632500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015856900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000554900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015566400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000588600000000, -0.0008697000000000,  0.0001942000000000 ]  - [   0.0000569100000000,  0.0008760700000000, -0.0001950800000000 ]  - [   0.0000928000000000,  0.0000107200000000,  0.0000029900000000 ]  - 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