# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ec236021-67ef-4fb7-8672-54a07c9d1881/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 Th6CoBr15 / Im-3m (229) / materials id 28167](https://mdr.nims.go.jp/datasets/f38d4d0f-35ff-4e2c-9d11-35257408618e)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Im-3m"  number: 229  Hall_symbol: "-I 4 2 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -5.745721035000000,     5.745721035000000,     5.745721035000000 ] # a  - [     5.745721035000000,    -5.745721035000000,     5.745721035000000 ] # b  - [     5.745721035000000,     5.745721035000000,    -5.745721035000000 ] # c  points:  - symbol: Co # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195  - symbol: Br # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000  - symbol: Br # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 79.904000  - symbol: Br # 5    coordinates: [  0.747529150000000,  0.000000000000000,  0.252470850000000 ]    mass: 79.904000  - symbol: Br # 6    coordinates: [  0.000000000000000,  0.747529150000000,  0.252470850000000 ]    mass: 79.904000  - symbol: Br # 7    coordinates: [  0.252470850000000,  0.000000000000000,  0.747529150000000 ]    mass: 79.904000  - symbol: Br # 8    coordinates: [  0.252470850000000,  0.747529150000000,  0.000000000000000 ]    mass: 79.904000  - symbol: Br # 9    coordinates: [  0.747529150000000,  0.747529150000000,  0.495058300000000 ]    mass: 79.904000  - symbol: Br # 10    coordinates: [  0.252470850000000,  0.504941700000000,  0.252470850000000 ]    mass: 79.904000  - symbol: Br # 11    coordinates: [  0.747529150000000,  0.495058300000000,  0.747529150000000 ]    mass: 79.904000  - symbol: Br # 12    coordinates: [  0.000000000000000,  0.252470850000000,  0.747529150000000 ]    mass: 79.904000  - symbol: Br # 13    coordinates: [  0.504941700000000,  0.252470850000000,  0.252470850000000 ]    mass: 79.904000  - symbol: Br # 14    coordinates: [  0.252470850000000,  0.252470850000000,  0.504941700000000 ]    mass: 79.904000  - symbol: Br # 15    coordinates: [  0.495058300000000,  0.747529150000000,  0.747529150000000 ]    mass: 79.904000  - symbol: Br # 16    coordinates: [  0.747529150000000,  0.252470850000000,  0.000000000000000 ]    mass: 79.904000  - symbol: Th # 17    coordinates: [  0.760717570000000,  0.760717570000000,  0.000000000000000 ]    mass: 232.038060  - symbol: Th # 18    coordinates: [  0.000000000000000,  0.760717570000000,  0.760717570000000 ]    mass: 232.038060  - symbol: Th # 19    coordinates: [  0.000000000000000,  0.239282430000000,  0.239282430000000 ]    mass: 232.038060  - symbol: Th # 20    coordinates: [  0.760717570000000,  0.000000000000000,  0.760717570000000 ]    mass: 232.038060  - symbol: Th # 21    coordinates: [  0.239282430000000,  0.000000000000000,  0.239282430000000 ]    mass: 232.038060  - symbol: Th # 22    coordinates: [  0.239282430000000,  0.239282430000000,  0.000000000000000 ]    mass: 232.038060  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.087021280176022,     0.087021280176022 ] # a*  - [     0.087021280176022,     0.000000000000000,     0.087021280176022 ] # b*  - [     0.087021280176022,     0.087021280176022,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    11.491442070000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.491442070000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.491442070000000 ] # c  points:  - symbol: Co # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.752470850000000,  0.500000000000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.752470850000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 8    coordinates: [  0.247529150000000,  0.500000000000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.247529150000000,  0.752470850000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.247529150000000,  0.247529150000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.252470850000000,  0.000000000000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.247529150000000,  0.500000000000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 13    coordinates: [  0.500000000000000,  0.247529150000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 14    coordinates: [  0.000000000000000,  0.252470850000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 15    coordinates: [  0.252470850000000,  0.252470850000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 16    coordinates: [  0.500000000000000,  0.247529150000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 16  - symbol: Br # 17    coordinates: [  0.752470850000000,  0.247529150000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 21    coordinates: [  0.252470850000000,  0.000000000000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 22    coordinates: [  0.000000000000000,  0.252470850000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 23    coordinates: [  0.747529150000000,  0.000000000000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 24    coordinates: [  0.747529150000000,  0.252470850000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 25    coordinates: [  0.747529150000000,  0.747529150000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 26    coordinates: [  0.752470850000000,  0.500000000000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 27    coordinates: [  0.747529150000000,  0.000000000000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 28    coordinates: [  0.000000000000000,  0.747529150000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 29    coordinates: [  0.500000000000000,  0.752470850000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 30    coordinates: [  0.752470850000000,  0.752470850000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 31    coordinates: [  0.000000000000000,  0.747529150000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 16  - symbol: Br # 32    coordinates: [  0.252470850000000,  0.747529150000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Th # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.760717570000000 ]    mass: 232.038060    reduced_to: 33  - symbol: Th # 34    coordinates: [  0.760717570000000,  0.000000000000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 34  - symbol: Th # 35    coordinates: [  0.239282430000000,  0.000000000000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 35  - symbol: Th # 36    coordinates: [  0.000000000000000,  0.760717570000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 36  - symbol: Th # 37    coordinates: [  0.000000000000000,  0.239282430000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 37  - symbol: Th # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.239282430000000 ]    mass: 232.038060    reduced_to: 38  - symbol: Th # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.260717570000000 ]    mass: 232.038060    reduced_to: 33  - symbol: Th # 40    coordinates: [  0.260717570000000,  0.500000000000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 34  - symbol: Th # 41    coordinates: [  0.739282430000000,  0.500000000000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 35  - symbol: Th # 42    coordinates: [  0.500000000000000,  0.260717570000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 36  - symbol: Th # 43    coordinates: [  0.500000000000000,  0.739282430000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 37  - symbol: Th # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.739282430000000 ]    mass: 232.038060    reduced_to: 38supercell:  lattice:  - [    11.491442070000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.491442070000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.491442070000000 ] # c  points:  - symbol: Co # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.752470850000000,  0.500000000000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.752470850000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 8    coordinates: [  0.247529150000000,  0.500000000000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.247529150000000,  0.752470850000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.247529150000000,  0.247529150000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.252470850000000,  0.000000000000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.247529150000000,  0.500000000000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 13    coordinates: [  0.500000000000000,  0.247529150000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 14    coordinates: [  0.000000000000000,  0.252470850000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 15    coordinates: [  0.252470850000000,  0.252470850000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 16    coordinates: [  0.500000000000000,  0.247529150000000,  0.247529150000000 ]    mass: 79.904000    reduced_to: 16  - symbol: Br # 17    coordinates: [  0.752470850000000,  0.247529150000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 21    coordinates: [  0.252470850000000,  0.000000000000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 22    coordinates: [  0.000000000000000,  0.252470850000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 23    coordinates: [  0.747529150000000,  0.000000000000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 24    coordinates: [  0.747529150000000,  0.252470850000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 25    coordinates: [  0.747529150000000,  0.747529150000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 26    coordinates: [  0.752470850000000,  0.500000000000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 27    coordinates: [  0.747529150000000,  0.000000000000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 28    coordinates: [  0.000000000000000,  0.747529150000000,  0.252470850000000 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 29    coordinates: [  0.500000000000000,  0.752470850000000,  0.752470850000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 30    coordinates: [  0.752470850000000,  0.752470850000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 31    coordinates: [  0.000000000000000,  0.747529150000000,  0.747529150000000 ]    mass: 79.904000    reduced_to: 16  - symbol: Br # 32    coordinates: [  0.252470850000000,  0.747529150000000,  0.000000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Th # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.760717570000000 ]    mass: 232.038060    reduced_to: 33  - symbol: Th # 34    coordinates: [  0.760717570000000,  0.000000000000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 34  - symbol: Th # 35    coordinates: [  0.239282430000000,  0.000000000000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 35  - symbol: Th # 36    coordinates: [  0.000000000000000,  0.760717570000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 36  - symbol: Th # 37    coordinates: [  0.000000000000000,  0.239282430000000,  0.000000000000000 ]    mass: 232.038060    reduced_to: 37  - symbol: Th # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.239282430000000 ]    mass: 232.038060    reduced_to: 38  - symbol: Th # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.260717570000000 ]    mass: 232.038060    reduced_to: 33  - symbol: Th # 40    coordinates: [  0.260717570000000,  0.500000000000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 34  - symbol: Th # 41    coordinates: [  0.739282430000000,  0.500000000000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 35  - symbol: Th # 42    coordinates: [  0.500000000000000,  0.260717570000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 36  - symbol: Th # 43    coordinates: [  0.500000000000000,  0.739282430000000,  0.500000000000000 ]    mass: 232.038060    reduced_to: 37  - symbol: Th # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.739282430000000 ]    mass: 232.038060    reduced_to: 38displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1141056400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005328700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0157757100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014527400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014527400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002514400000000,  0.0000000000000000, -0.0002156900000000 ]  - [   0.0001323600000000, -0.0000061500000000,  0.0000061500000000 ]  - [   0.0002607600000000,  0.0000000000000000, -0.0002276800000000 ]  - [   0.0002607600000000, -0.0002276800000000,  0.0000000000000000 ]  - [   0.0002607600000000,  0.0002276800000000,  0.0000000000000000 ]  - [  -0.0014943500000000,  0.0000000000000000,  0.0037888000000000 ]  - [   0.0002607600000000,  0.0000000000000000,  0.0002276800000000 ]  - [   0.0001323600000000,  0.0000061500000000, -0.0000061500000000 ]  - [  -0.0009826500000000, -0.0000115200000000, -0.0000115200000000 ]  - [  -0.0014943500000000,  0.0037888000000000,  0.0000000000000000 ]  - [   0.0001323600000000,  0.0000061500000000,  0.0000061500000000 ]  - [   0.0002514400000000, -0.0002156900000000,  0.0000000000000000 ]  - [  -0.0001745700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005161000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005161000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014943500000000,  0.0000000000000000, -0.0037888000000000 ]  - [  -0.0009826500000000, -0.0000115200000000,  0.0000115200000000 ]  - [  -0.0014424400000000,  0.0000000000000000, -0.0037368200000000 ]  - [  -0.0014424400000000, -0.0037368200000000,  0.0000000000000000 ]  - [  -0.0014424400000000,  0.0037368200000000,  0.0000000000000000 ]  - [   0.0002514400000000,  0.0000000000000000,  0.0002156900000000 ]  - [  -0.0014424400000000,  0.0000000000000000,  0.0037368200000000 ]  - [  -0.0009826500000000,  0.0000115200000000, -0.0000115200000000 ]  - [   0.0001323600000000, -0.0000061500000000, -0.0000061500000000 ]  - [   0.0002514400000000,  0.0002156900000000,  0.0000000000000000 ]  - [  -0.0009826500000000,  0.0000115200000000,  0.0000115200000000 ]  - [  -0.0014943500000000, -0.0037888000000000,  0.0000000000000000 ]  - [   0.0195724500000000,  0.0000000000000000, -0.0001836000000000 ]  - [   0.0186988000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0198279600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0195724500000000, -0.0001836000000000,  0.0000000000000000 ]  - [   0.0195724500000000,  0.0001836000000000,  0.0000000000000000 ]  - [   0.0195724500000000,  0.0000000000000000,  0.0001836000000000 ]  - [  -0.0009212800000000,  0.0000000000000000, -0.0000374100000000 ]  - [  -0.0001237500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000632200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009212800000000, -0.0000374100000000,  0.0000000000000000 ]  - [  -0.0009212800000000,  0.0000374100000000,  0.0000000000000000 ]  - [  -0.0009212800000000,  0.0000000000000000,  0.0000374100000000 ]- atom:    3  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0014512500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005154400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0023967500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005696300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000847600000000,  0.0000000000000000 ]  - [  -0.0000017900000000,  0.0000479300000000,  0.0000022200000000 ]  - [   0.0000000000000000,  0.0007565000000000, -0.0006600200000000 ]  - [   0.0000017900000000,  0.0000479300000000, -0.0000022200000000 ]  - [   0.0000375000000000,  0.0000559100000000,  0.0000000000000000 ]  - [  -0.0000348800000000,  0.0000600000000000,  0.0000000000000000 ]  - [  -0.0000038000000000, -0.0000916900000000, -0.0000023200000000 ]  - [   0.0000017900000000,  0.0000479300000000,  0.0000022200000000 ]  - [   0.0000000000000000,  0.0007718600000000, -0.0006767200000000 ]  - [   0.0000000000000000, -0.0000991100000000,  0.0001338000000000 ]  - [  -0.0009143000000000,  0.0004551200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0007718600000000,  0.0006767200000000 ]  - [   0.0000348800000000,  0.0000600000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000514300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001118200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002720400000000,  0.0000000000000000 ]  - [  -0.0000038000000000, -0.0000916900000000,  0.0000023200000000 ]  - [   0.0000000000000000, -0.0000991100000000, -0.0001338000000000 ]  - [   0.0000038000000000, -0.0000916900000000, -0.0000023200000000 ]  - [   0.0009143000000000,  0.0004551200000000,  0.0000000000000000 ]  - [  -0.0008821700000000,  0.0004415500000000,  0.0000000000000000 ]  - [  -0.0000017900000000,  0.0000479300000000, -0.0000022200000000 ]  - [   0.0000038000000000, -0.0000916900000000,  0.0000023200000000 ]  - [   0.0000000000000000, -0.0000945500000000, -0.0001348800000000 ]  - [   0.0000000000000000,  0.0007565000000000,  0.0006600200000000 ]  - [  -0.0000375000000000,  0.0000559100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000945500000000,  0.0001348800000000 ]  - [   0.0008821700000000,  0.0004415500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006173700000000, -0.0000239200000000 ]  - [  -0.0001053700000000,  0.0002109500000000,  0.0000000000000000 ]  - [   0.0001053700000000,  0.0002109500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005839600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005282500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006173700000000,  0.0000239200000000 ]  - [   0.0000000000000000, -0.0011421800000000, -0.0000103400000000 ]  - [  -0.0000093900000000, -0.0001297700000000,  0.0000000000000000 ]  - [   0.0000093900000000, -0.0001297700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000484800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000674800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011421800000000,  0.0000103400000000 ]- atom:    3  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0157762400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001750500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0457360900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005702900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005702900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001031700000000,  0.0000000000000000,  0.0000772900000000 ]  - [  -0.0000696000000000,  0.0000046200000000, -0.0000046200000000 ]  - [  -0.0000929500000000,  0.0000000000000000,  0.0000706600000000 ]  - [  -0.0000929500000000,  0.0000706600000000,  0.0000000000000000 ]  - [  -0.0000929500000000, -0.0000706600000000,  0.0000000000000000 ]  - [   0.0020565200000000,  0.0000000000000000, -0.0019387200000000 ]  - [  -0.0000929500000000,  0.0000000000000000, -0.0000706600000000 ]  - [  -0.0000696000000000, -0.0000046200000000,  0.0000046200000000 ]  - [   0.0001550300000000,  0.0000028200000000,  0.0000028200000000 ]  - [   0.0020565200000000, -0.0019387200000000,  0.0000000000000000 ]  - [  -0.0000696000000000, -0.0000046200000000, -0.0000046200000000 ]  - [  -0.0001031700000000,  0.0000772900000000,  0.0000000000000000 ]  - [   0.0000995100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001116900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001116900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0020565200000000,  0.0000000000000000,  0.0019387200000000 ]  - [   0.0001550300000000,  0.0000028200000000, -0.0000028200000000 ]  - [   0.0020536400000000,  0.0000000000000000,  0.0019773200000000 ]  - [   0.0020536400000000,  0.0019773200000000,  0.0000000000000000 ]  - [   0.0020536400000000, -0.0019773200000000,  0.0000000000000000 ]  - [  -0.0001031700000000,  0.0000000000000000, -0.0000772900000000 ]  - [   0.0020536400000000,  0.0000000000000000, -0.0019773200000000 ]  - [   0.0001550300000000, -0.0000028200000000,  0.0000028200000000 ]  - [  -0.0000696000000000,  0.0000046200000000,  0.0000046200000000 ]  - [  -0.0001031700000000, -0.0000772900000000,  0.0000000000000000 ]  - [   0.0001550300000000, -0.0000028200000000, -0.0000028200000000 ]  - [   0.0020565200000000,  0.0019387200000000,  0.0000000000000000 ]  - [  -0.0017251000000000,  0.0000000000000000, -0.0000148900000000 ]  - [   0.0100262700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0087286300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0017251000000000, -0.0000148900000000,  0.0000000000000000 ]  - [  -0.0017251000000000,  0.0000148900000000,  0.0000000000000000 ]  - [  -0.0017251000000000,  0.0000000000000000,  0.0000148900000000 ]  - [   0.0002982900000000,  0.0000000000000000, -0.0000225900000000 ]  - [   0.0000084000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000642800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002982900000000, -0.0000225900000000,  0.0000000000000000 ]  - [   0.0002982900000000,  0.0000225900000000,  0.0000000000000000 ]  - [   0.0002982900000000,  0.0000000000000000,  0.0000225900000000 ]- atom:    6  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002533900000000,  0.0000000000000000, -0.0002230700000000 ]  - [  -0.0014551400000000,  0.0000000000000000, -0.0037390600000000 ]  - [  -0.0000983700000000,  0.0000000000000000,  0.0000359800000000 ]  - [   0.0007693000000000,  0.0000000000000000, -0.0006769000000000 ]  - [   0.0000571300000000,  0.0000000000000000,  0.0000749400000000 ]  - [  -0.0514731800000000,  0.0000000000000000,  0.0112510100000000 ]  - [   0.0005900800000000, -0.0022244200000000, -0.0005000600000000 ]  - [   0.0002680000000000,  0.0000000000000000, -0.0002048900000000 ]  - [   0.0001718000000000, -0.0001366700000000, -0.0000386500000000 ]  - [   0.0001718000000000,  0.0001366700000000, -0.0000386500000000 ]  - [   0.0003281400000000,  0.0000000000000000,  0.0000610100000000 ]  - [   0.0051911900000000,  0.0000000000000000, -0.0011181500000000 ]  - [  -0.0000578400000000,  0.0001714600000000, -0.0001368500000000 ]  - [   0.0005483500000000, -0.0008919600000000, -0.0002952700000000 ]  - [   0.0002704600000000,  0.0000939800000000, -0.0000116300000000 ]  - [   0.0005900800000000,  0.0022244200000000, -0.0005000600000000 ]  - [  -0.0009339800000000, -0.0004932000000000,  0.0003946900000000 ]  - [   0.0020655100000000,  0.0000000000000000,  0.0009150200000000 ]  - [  -0.0000966800000000,  0.0000000000000000, -0.0001341600000000 ]  - [   0.0004416500000000,  0.0000000000000000,  0.0019414600000000 ]  - [   0.0001473300000000,  0.0000000000000000, -0.0000684400000000 ]  - [   0.0000366000000000, -0.0000061400000000, -0.0000978000000000 ]  - [  -0.0001654000000000,  0.0000000000000000,  0.0000313000000000 ]  - [   0.0000644600000000, -0.0002945600000000, -0.0000890400000000 ]  - [   0.0000644600000000,  0.0002945600000000, -0.0000890400000000 ]  - [  -0.0003807700000000,  0.0000000000000000,  0.0011022900000000 ]  - [  -0.0000079300000000,  0.0000000000000000, -0.0000623400000000 ]  - [   0.0005483500000000,  0.0008919600000000, -0.0002952700000000 ]  - [  -0.0000578400000000, -0.0001714600000000, -0.0001368500000000 ]  - [  -0.0009339800000000,  0.0004932000000000,  0.0003946900000000 ]  - [   0.0000366000000000,  0.0000061400000000, -0.0000978000000000 ]  - [   0.0002704600000000, -0.0000939800000000, -0.0000116300000000 ]  - [  -0.0002059500000000,  0.0000000000000000,  0.0000740000000000 ]  - [   0.0002702600000000,  0.0000000000000000, -0.0000361900000000 ]  - [  -0.0003721200000000,  0.0000000000000000, -0.0000293700000000 ]  - [  -0.0006771900000000, -0.0004428200000000,  0.0006865700000000 ]  - [  -0.0006771900000000,  0.0004428200000000,  0.0006865700000000 ]  - [  -0.0001502000000000,  0.0000000000000000, -0.0000154400000000 ]  - [   0.0384656800000000,  0.0000000000000000, -0.0016112500000000 ]  - [  -0.0012137900000000,  0.0000000000000000,  0.0010286500000000 ]  - [   0.0057957900000000,  0.0000000000000000, -0.0098100900000000 ]  - [   0.0007220100000000, -0.0006678700000000,  0.0006480600000000 ]  - [   0.0007220100000000,  0.0006678700000000,  0.0006480600000000 ]  - [   0.0000966600000000,  0.0000000000000000,  0.0000936400000000 ]- atom:    6  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002560100000000,  0.0000000000000000,  0.0002197800000000 ]  - [   0.0014828800000000,  0.0000000000000000,  0.0037862800000000 ]  - [   0.0000996800000000,  0.0000000000000000, -0.0000364100000000 ]  - [  -0.0007571900000000,  0.0000000000000000,  0.0006598700000000 ]  - [  -0.0000571200000000,  0.0000000000000000, -0.0000731300000000 ]  - [   0.0532671200000000,  0.0000000000000000, -0.0112334400000000 ]  - [  -0.0005950000000000,  0.0022466400000000,  0.0005083800000000 ]  - [  -0.0002584200000000,  0.0000000000000000,  0.0002015000000000 ]  - [  -0.0001639400000000,  0.0001314700000000,  0.0000387700000000 ]  - [  -0.0001639400000000, -0.0001314700000000,  0.0000387700000000 ]  - [  -0.0003331600000000,  0.0000000000000000, -0.0000689700000000 ]  - [  -0.0052621000000000,  0.0000000000000000,  0.0011322200000000 ]  - [   0.0000595000000000, -0.0001647600000000,  0.0001314300000000 ]  - [  -0.0005370000000000,  0.0008691300000000,  0.0002893700000000 ]  - [  -0.0002738700000000, -0.0001015800000000,  0.0000115900000000 ]  - [  -0.0005950000000000, -0.0022466400000000,  0.0005083800000000 ]  - [   0.0009341800000000,  0.0005152400000000, -0.0004041800000000 ]  - [  -0.0020432600000000,  0.0000000000000000, -0.0008805500000000 ]  - [   0.0000988700000000,  0.0000000000000000,  0.0001349200000000 ]  - [  -0.0004534300000000,  0.0000000000000000, -0.0019753400000000 ]  - [  -0.0001532200000000,  0.0000000000000000,  0.0000738000000000 ]  - [  -0.0000362800000000,  0.0000002700000000,  0.0000998000000000 ]  - [   0.0001700300000000,  0.0000000000000000, -0.0000367900000000 ]  - [  -0.0000640400000000,  0.0002921900000000,  0.0000905800000000 ]  - [  -0.0000640400000000, -0.0002921900000000,  0.0000905800000000 ]  - [   0.0003852300000000,  0.0000000000000000, -0.0011482400000000 ]  - [   0.0000134000000000,  0.0000000000000000,  0.0000678100000000 ]  - [  -0.0005370000000000, -0.0008691300000000,  0.0002893700000000 ]  - [   0.0000595000000000,  0.0001647600000000,  0.0001314300000000 ]  - [   0.0009341800000000, -0.0005152400000000, -0.0004041800000000 ]  - [  -0.0000362800000000, -0.0000002700000000,  0.0000998000000000 ]  - [  -0.0002738700000000,  0.0001015800000000,  0.0000115900000000 ]  - [   0.0002102000000000,  0.0000000000000000, -0.0001483200000000 ]  - [  -0.0003473100000000,  0.0000000000000000,  0.0000357900000000 ]  - [   0.0004508000000000,  0.0000000000000000,  0.0000298700000000 ]  - [   0.0006839900000000,  0.0003583100000000, -0.0006797100000000 ]  - [   0.0006839900000000, -0.0003583100000000, -0.0006797100000000 ]  - [   0.0001544300000000,  0.0000000000000000,  0.0000930800000000 ]  - [  -0.0403196700000000,  0.0000000000000000,  0.0016762700000000 ]  - [   0.0011601100000000,  0.0000000000000000, -0.0010463600000000 ]  - [  -0.0056919100000000,  0.0000000000000000,  0.0097254700000000 ]  - [  -0.0007323300000000,  0.0006286300000000, -0.0006519300000000 ]  - [  -0.0007323300000000, -0.0006286300000000, -0.0006519300000000 ]  - [  -0.0001103800000000,  0.0000000000000000, -0.0000572800000000 ]- atom:    6  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000006300000000,  0.0001325700000000, -0.0000006300000000 ]  - [  -0.0000015200000000, -0.0009825600000000,  0.0000015200000000 ]  - [  -0.0000005400000000,  0.0000482300000000, -0.0000000700000000 ]  - [   0.0000003200000000, -0.0000694600000000, -0.0000003200000000 ]  - [   0.0000000700000000,  0.0000482300000000,  0.0000005400000000 ]  - [  -0.0000984100000000, -0.0053654800000000,  0.0000984100000000 ]  - [  -0.0007935300000000,  0.0005997200000000,  0.0004040500000000 ]  - [   0.0000007500000000, -0.0000264600000000, -0.0000007500000000 ]  - [  -0.0000370100000000, -0.0000586600000000,  0.0000304300000000 ]  - [   0.0000398100000000, -0.0000563300000000, -0.0000299000000000 ]  - [   0.0000018900000000,  0.0000459000000000,  0.0000016800000000 ]  - [   0.0000080600000000,  0.0000907100000000, -0.0000026700000000 ]  - [   0.0000299000000000, -0.0000563300000000, -0.0000398100000000 ]  - [  -0.0003899500000000,  0.0005400900000000,  0.0000918300000000 ]  - [   0.0000144100000000,  0.0000398000000000,  0.0000087400000000 ]  - [   0.0007705500000000,  0.0005878500000000, -0.0003946700000000 ]  - [   0.0003946700000000,  0.0005878500000000, -0.0007705500000000 ]  - [   0.0000000500000000, -0.0000914100000000,  0.0000007400000000 ]  - [  -0.0000007200000000,  0.0001552100000000,  0.0000007200000000 ]  - [  -0.0000007400000000, -0.0000914100000000, -0.0000000500000000 ]  - [   0.0000022400000000,  0.0000144700000000, -0.0000022400000000 ]  - [  -0.0000087400000000,  0.0000398000000000, -0.0000144100000000 ]  - [  -0.0000025600000000,  0.0000499000000000,  0.0000025600000000 ]  - [  -0.0000918300000000,  0.0005400900000000,  0.0003899500000000 ]  - [   0.0000875800000000,  0.0005476600000000, -0.0004019500000000 ]  - [   0.0000026700000000,  0.0000907100000000, -0.0000080600000000 ]  - [  -0.0000016800000000,  0.0000459000000000, -0.0000018900000000 ]  - [   0.0004019500000000,  0.0005476600000000, -0.0000875800000000 ]  - [  -0.0000304300000000, -0.0000586600000000,  0.0000370100000000 ]  - [  -0.0004040500000000,  0.0005997200000000,  0.0007935300000000 ]  - [   0.0000087200000000,  0.0000352800000000,  0.0000090400000000 ]  - [  -0.0000090400000000,  0.0000352800000000, -0.0000087200000000 ]  - [  -0.0000008000000000, -0.0001224100000000, -0.0000064400000000 ]  - [  -0.0000070900000000, -0.0003818500000000,  0.0000001500000000 ]  - [   0.0000064400000000, -0.0001224100000000,  0.0000008000000000 ]  - [  -0.0000574900000000,  0.0000233600000000,  0.0000574900000000 ]  - [   0.0000556600000000,  0.0000415500000000, -0.0000556600000000 ]  - [  -0.0000001500000000, -0.0003818500000000,  0.0000070900000000 ]  - [   0.0000972900000000,  0.0008558800000000, -0.0000168400000000 ]  - [  -0.0000101700000000,  0.0003435300000000,  0.0000001600000000 ]  - [   0.0000168400000000,  0.0008558800000000, -0.0000972900000000 ]  - [  -0.0003173200000000, -0.0000268000000000,  0.0003173200000000 ]  - [   0.0003234000000000,  0.0000057700000000, -0.0003234000000000 ]  - [  -0.0000001600000000,  0.0003435300000000,  0.0000101700000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0195692600000000,  0.0000000000000000,  0.0000687600000000 ]  - [  -0.0009237700000000,  0.0000000000000000,  0.0000001400000000 ]  - [  -0.0017279400000000,  0.0000000000000000, -0.0000028900000000 ]  - [   0.0006147700000000,  0.0000000000000000, -0.0000042300000000 ]  - [   0.0002081800000000,  0.0000000000000000,  0.0000089400000000 ]  - [  -0.0002125600000000,  0.0000000000000000, -0.0000269800000000 ]  - [  -0.0001242300000000, -0.0000028500000000,  0.0000031600000000 ]  - [  -0.0001482900000000,  0.0000000000000000, -0.0000394400000000 ]  - [  -0.0006790400000000,  0.0006837800000000,  0.0000572500000000 ]  - [  -0.0006790400000000, -0.0006837800000000,  0.0000572500000000 ]  - [   0.0001021400000000,  0.0000000000000000, -0.0010437100000000 ]  - [  -0.0002057300000000,  0.0000000000000000,  0.0000325300000000 ]  - [  -0.0003843200000000, -0.0000019000000000, -0.0000006700000000 ]  - [   0.0003404700000000, -0.0000035100000000,  0.0000003000000000 ]  - [   0.0007328000000000, -0.0006541800000000, -0.0003195800000000 ]  - [  -0.0001242300000000,  0.0000028500000000,  0.0000031600000000 ]  - [  -0.0006834200000000,  0.0006822400000000, -0.0000535600000000 ]  - [   0.0002955300000000,  0.0000000000000000, -0.0000018900000000 ]  - [  -0.0011443600000000,  0.0000000000000000,  0.0000035500000000 ]  - [  -0.0001324500000000,  0.0000000000000000, -0.0000003600000000 ]  - [   0.0403733400000000,  0.0000000000000000, -0.0098190500000000 ]  - [   0.0008537400000000, -0.0000808900000000,  0.0000146500000000 ]  - [   0.0001024900000000,  0.0000000000000000,  0.0010322800000000 ]  - [   0.0007204900000000,  0.0006468200000000,  0.0003198800000000 ]  - [   0.0007204900000000, -0.0006468200000000,  0.0003198800000000 ]  - [  -0.0001598300000000,  0.0000000000000000,  0.0000320200000000 ]  - [   0.0384106100000000,  0.0000000000000000,  0.0097181400000000 ]  - [   0.0003404700000000,  0.0000035100000000,  0.0000003000000000 ]  - [  -0.0003843200000000,  0.0000019000000000, -0.0000006700000000 ]  - [  -0.0006834200000000, -0.0006822400000000, -0.0000535600000000 ]  - [   0.0008537400000000,  0.0000808900000000,  0.0000146500000000 ]  - [   0.0007328000000000,  0.0006541800000000, -0.0003195800000000 ]  - [  -0.1099162700000000,  0.0000000000000000, -0.0001718900000000 ]  - [   0.0076513100000000,  0.0000000000000000, -0.0248532900000000 ]  - [   0.0078133000000000,  0.0000000000000000,  0.0250601100000000 ]  - [  -0.0025442600000000,  0.0000119700000000, -0.0000524300000000 ]  - [  -0.0025442600000000, -0.0000119700000000, -0.0000524300000000 ]  - [  -0.0035459800000000,  0.0000000000000000,  0.0000716800000000 ]  - [   0.0004884000000000,  0.0000000000000000, -0.0000048900000000 ]  - [   0.0001001900000000,  0.0000000000000000,  0.0001002300000000 ]  - [   0.0001165100000000,  0.0000000000000000, -0.0000934200000000 ]  - [   0.0026716400000000,  0.0000015000000000, -0.0000045000000000 ]  - [   0.0026716400000000, -0.0000015000000000, -0.0000045000000000 ]  - [   0.0004633900000000,  0.0000000000000000,  0.0000046700000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0199996100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000959700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005413700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005413700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0087511400000000 ]  - [   0.0000980000000000,  0.0000000000000000, -0.0003986800000000 ]  - [   0.0000000000000000,  0.0000980000000000, -0.0003986800000000 ]  - [  -0.0000402200000000,  0.0000000000000000,  0.0002922900000000 ]  - [   0.0004096900000000, -0.0004096900000000,  0.0000314200000000 ]  - [   0.0004096900000000,  0.0004096900000000,  0.0000314200000000 ]  - [  -0.0000939700000000,  0.0000000000000000, -0.0012007200000000 ]  - [  -0.0000980000000000,  0.0000000000000000, -0.0003986800000000 ]  - [   0.0000000000000000, -0.0000402200000000,  0.0002922900000000 ]  - [   0.0000000000000000, -0.0000939700000000, -0.0012007200000000 ]  - [  -0.0006696600000000, -0.0006696600000000, -0.0000136300000000 ]  - [   0.0000000000000000, -0.0000980000000000, -0.0003986800000000 ]  - [  -0.0004096900000000,  0.0004096900000000,  0.0000314200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000568200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000568200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000345400000000 ]  - [  -0.0017235700000000,  0.0000000000000000,  0.0057808000000000 ]  - [   0.0000000000000000, -0.0017235700000000,  0.0057808000000000 ]  - [   0.0000939700000000,  0.0000000000000000, -0.0012007200000000 ]  - [   0.0006696600000000, -0.0006696600000000, -0.0000136300000000 ]  - [   0.0006696600000000,  0.0006696600000000, -0.0000136300000000 ]  - [   0.0000402200000000,  0.0000000000000000,  0.0002922900000000 ]  - [   0.0017235700000000,  0.0000000000000000,  0.0057808000000000 ]  - [   0.0000000000000000,  0.0000939700000000, -0.0012007200000000 ]  - [   0.0000000000000000,  0.0000402200000000,  0.0002922900000000 ]  - [  -0.0004096900000000, -0.0004096900000000,  0.0000314200000000 ]  - [   0.0000000000000000,  0.0017235700000000,  0.0057808000000000 ]  - [  -0.0006696600000000,  0.0006696600000000, -0.0000136300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1012745600000000 ]  - [  -0.0159360600000000,  0.0000000000000000,  0.0077795800000000 ]  - [   0.0159360600000000,  0.0000000000000000,  0.0077795800000000 ]  - [   0.0000000000000000, -0.0159360600000000,  0.0077795800000000 ]  - [   0.0000000000000000,  0.0159360600000000,  0.0077795800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0239977400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009816300000000 ]  - [   0.0001355200000000,  0.0000000000000000,  0.0001088400000000 ]  - [  -0.0001355200000000,  0.0000000000000000,  0.0001088400000000 ]  - [   0.0000000000000000,  0.0001355200000000,  0.0001088400000000 ]  - [   0.0000000000000000, -0.0001355200000000,  0.0001088400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009446100000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0185285000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000952100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005747300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005747300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0099965400000000 ]  - [  -0.0000948300000000,  0.0000000000000000,  0.0003956000000000 ]  - [   0.0000000000000000, -0.0000948300000000,  0.0003956000000000 ]  - [   0.0000386300000000,  0.0000000000000000, -0.0002906600000000 ]  - [  -0.0004221200000000,  0.0004221200000000, -0.0000304000000000 ]  - [  -0.0004221200000000, -0.0004221200000000, -0.0000304000000000 ]  - [   0.0001059500000000,  0.0000000000000000,  0.0012177400000000 ]  - [   0.0000948300000000,  0.0000000000000000,  0.0003956000000000 ]  - [   0.0000000000000000,  0.0000386300000000, -0.0002906600000000 ]  - [   0.0000000000000000,  0.0001059500000000,  0.0012177400000000 ]  - [   0.0006708600000000,  0.0006708600000000,  0.0000114000000000 ]  - [   0.0000000000000000,  0.0000948300000000,  0.0003956000000000 ]  - [   0.0004221200000000, -0.0004221200000000, -0.0000304000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000555300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000555300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000334700000000 ]  - [   0.0016063400000000,  0.0000000000000000, -0.0057473000000000 ]  - [   0.0000000000000000,  0.0016063400000000, -0.0057473000000000 ]  - [  -0.0001059500000000,  0.0000000000000000,  0.0012177400000000 ]  - [  -0.0006708600000000,  0.0006708600000000,  0.0000114000000000 ]  - [  -0.0006708600000000, -0.0006708600000000,  0.0000114000000000 ]  - [  -0.0000386300000000,  0.0000000000000000, -0.0002906600000000 ]  - [  -0.0016063400000000,  0.0000000000000000, -0.0057473000000000 ]  - [   0.0000000000000000, -0.0001059500000000,  0.0012177400000000 ]  - [   0.0000000000000000, -0.0000386300000000, -0.0002906600000000 ]  - [   0.0004221200000000,  0.0004221200000000, -0.0000304000000000 ]  - [   0.0000000000000000, -0.0016063400000000, -0.0057473000000000 ]  - [   0.0006708600000000, -0.0006708600000000,  0.0000114000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1005377900000000 ]  - [   0.0156471600000000,  0.0000000000000000, -0.0076819200000000 ]  - [  -0.0156471600000000,  0.0000000000000000, -0.0076819200000000 ]  - [   0.0000000000000000,  0.0156471600000000, -0.0076819200000000 ]  - [   0.0000000000000000, -0.0156471600000000, -0.0076819200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0241428900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010288500000000 ]  - [  -0.0001772900000000,  0.0000000000000000, -0.0001078900000000 ]  - [   0.0001772900000000,  0.0000000000000000, -0.0001078900000000 ]  - [   0.0000000000000000, -0.0001772900000000, -0.0001078900000000 ]  - [   0.0000000000000000,  0.0001772900000000, -0.0001078900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009925600000000 ]