# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0e290ecd-cfd2-4b98-957f-f212ea8a7e29/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 KAuO2 / Pmmm (47) / materials id 27418](https://mdr.nims.go.jp/datasets/0067ac9c-efcb-4a07-970a-316727868671)

## 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: "Pmmm"  number: 47  Hall_symbol: "-P 2 2"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.034174550000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.662368630000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.794864040000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.271993590000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.728006410000000 ]    mass: 15.999400  - symbol: K  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300  - symbol: Au # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 196.966569  reciprocal_lattice: # without 2pi  - [     0.329578929465347,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.273047336581190,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.172566602615236 ] # c*unit_cell:  lattice:  - [     3.034174550000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.662368630000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.794864040000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.271993590000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.728006410000000 ]    mass: 15.999400    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 3  - symbol: Au # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 4supercell:  lattice:  - [    12.136698200000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.649474520000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.589728080000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.125000000000000,  0.125000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.375000000000000,  0.125000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.625000000000000,  0.125000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.875000000000000,  0.125000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.125000000000000,  0.375000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.375000000000000,  0.375000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.625000000000000,  0.375000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.875000000000000,  0.375000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.125000000000000,  0.625000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.375000000000000,  0.625000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.625000000000000,  0.625000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.875000000000000,  0.625000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.125000000000000,  0.875000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.375000000000000,  0.875000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 15    coordinates: [  0.625000000000000,  0.875000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 16    coordinates: [  0.875000000000000,  0.875000000000000,  0.135996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 17    coordinates: [  0.125000000000000,  0.125000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.375000000000000,  0.125000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.625000000000000,  0.125000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.875000000000000,  0.125000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.125000000000000,  0.375000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 22    coordinates: [  0.375000000000000,  0.375000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 23    coordinates: [  0.625000000000000,  0.375000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 24    coordinates: [  0.875000000000000,  0.375000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 25    coordinates: [  0.125000000000000,  0.625000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.375000000000000,  0.625000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.625000000000000,  0.625000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.875000000000000,  0.625000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.125000000000000,  0.875000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 30    coordinates: [  0.375000000000000,  0.875000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 31    coordinates: [  0.625000000000000,  0.875000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 32    coordinates: [  0.875000000000000,  0.875000000000000,  0.635996795000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 33    coordinates: [  0.125000000000000,  0.125000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.375000000000000,  0.125000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.625000000000000,  0.125000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.875000000000000,  0.125000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.125000000000000,  0.375000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 38    coordinates: [  0.375000000000000,  0.375000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 39    coordinates: [  0.625000000000000,  0.375000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 40    coordinates: [  0.875000000000000,  0.375000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 41    coordinates: [  0.125000000000000,  0.625000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 42    coordinates: [  0.375000000000000,  0.625000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 43    coordinates: [  0.625000000000000,  0.625000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 44    coordinates: [  0.875000000000000,  0.625000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 45    coordinates: [  0.125000000000000,  0.875000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 46    coordinates: [  0.375000000000000,  0.875000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 47    coordinates: [  0.625000000000000,  0.875000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 48    coordinates: [  0.875000000000000,  0.875000000000000,  0.364003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 49    coordinates: [  0.125000000000000,  0.125000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 50    coordinates: [  0.375000000000000,  0.125000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 51    coordinates: [  0.625000000000000,  0.125000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 52    coordinates: [  0.875000000000000,  0.125000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 53    coordinates: [  0.125000000000000,  0.375000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 54    coordinates: [  0.375000000000000,  0.375000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 55    coordinates: [  0.625000000000000,  0.375000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 56    coordinates: [  0.875000000000000,  0.375000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 57    coordinates: [  0.125000000000000,  0.625000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.375000000000000,  0.625000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 59    coordinates: [  0.625000000000000,  0.625000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 60    coordinates: [  0.875000000000000,  0.625000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 61    coordinates: [  0.125000000000000,  0.875000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 62    coordinates: [  0.375000000000000,  0.875000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 63    coordinates: [  0.625000000000000,  0.875000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.864003205000000 ]    mass: 15.999400    reduced_to: 33  - symbol: K  # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 66    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 68    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 69    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 70    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 71    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 72    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 73    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 74    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 75    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 76    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 77    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 78    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 79    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 80    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 82    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 84    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 85    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 86    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 87    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 88    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 89    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 90    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 91    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 92    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 93    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 94    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 95    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: Au # 97    coordinates: [  0.000000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 98    coordinates: [  0.250000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 99    coordinates: [  0.500000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 100    coordinates: [  0.750000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 101    coordinates: [  0.000000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 102    coordinates: [  0.250000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 103    coordinates: [  0.500000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 104    coordinates: [  0.750000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 105    coordinates: [  0.000000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 106    coordinates: [  0.250000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 107    coordinates: [  0.500000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 108    coordinates: [  0.750000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 109    coordinates: [  0.000000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 110    coordinates: [  0.250000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 111    coordinates: [  0.500000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 112    coordinates: [  0.750000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 113    coordinates: [  0.000000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 114    coordinates: [  0.250000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 115    coordinates: [  0.500000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 116    coordinates: [  0.750000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 117    coordinates: [  0.000000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 118    coordinates: [  0.250000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 119    coordinates: [  0.500000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 120    coordinates: [  0.750000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 121    coordinates: [  0.000000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 122    coordinates: [  0.250000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 123    coordinates: [  0.500000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 124    coordinates: [  0.750000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 125    coordinates: [  0.000000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 126    coordinates: [  0.250000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 127    coordinates: [  0.500000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 128    coordinates: [  0.750000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97born_effective_charge:- # 1 (O)  - [ -2.960854390000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.676767630000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.337196420000000 ]- # 2 (O)  - [ -2.960854390000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.676767630000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.337196420000000 ]- # 3 (K)  - [  1.117896080000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.247241570000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.652723370000000 ]- # 4 (Au)  - [  4.803812700000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.106293700000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.021669460000000 ]dielectric_constant:  - [  6.282141520000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.069245600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.630310770000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1760717400000000,  0.0000000000000000, -0.0017474400000000 ]  - [   0.0046547300000000,  0.0000000000000000,  0.0014097500000000 ]  - [   0.0084142300000000,  0.0000000000000000,  0.0011221100000000 ]  - [   0.0046249500000000,  0.0000000000000000,  0.0008888600000000 ]  - [  -0.0011616500000000, -0.0000079000000000,  0.0011455600000000 ]  - [   0.0001792200000000,  0.0003884900000000,  0.0015140700000000 ]  - [   0.0006615100000000,  0.0000007200000000,  0.0011434000000000 ]  - 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