# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7bde40ce-1585-4942-a7d7-97636e4918c3/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 SmBr3 / Cmcm (63) / materials id 27976](https://mdr.nims.go.jp/datasets/84b4ad82-9eb5-40e2-abdd-b9b229589edd)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   4,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     1.996047355000000,    -6.603604755000000,     0.000000000000000 ] # a  - [     1.996047355000000,     6.603604755000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.999500940000001 ] # c  points:  - symbol: Br # 1    coordinates: [  0.650329470000000,  0.349670530000000,  0.434110450000000 ]    mass: 79.904000  - symbol: Br # 2    coordinates: [  0.349670530000000,  0.650329470000000,  0.565889550000000 ]    mass: 79.904000  - symbol: Br # 3    coordinates: [  0.087522140000000,  0.912477860000000,  0.750000000000000 ]    mass: 79.904000  - symbol: Br # 4    coordinates: [  0.912477860000000,  0.087522140000000,  0.250000000000000 ]    mass: 79.904000  - symbol: Br # 5    coordinates: [  0.650329470000000,  0.349670530000000,  0.065889550000000 ]    mass: 79.904000  - symbol: Br # 6    coordinates: [  0.349670530000000,  0.650329470000000,  0.934110450000000 ]    mass: 79.904000  - symbol: Sm # 7    coordinates: [  0.258525570000000,  0.741474430000000,  0.250000000000000 ]    mass: 150.360000  - symbol: Sm # 8    coordinates: [  0.741474430000000,  0.258525570000000,  0.750000000000000 ]    mass: 150.360000  reciprocal_lattice: # without 2pi  - [     0.250495059021283,    -0.075716221450325,     0.000000000000000 ] # a*  - [     0.250495059021283,     0.075716221450325,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.111117272687345 ] # c*unit_cell:  lattice:  - [     3.992094710000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.207209510000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.999500940000001 ] # c  points:  - symbol: Br # 1    coordinates: [  0.000000000000000,  0.349670530000000,  0.434110450000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.500000000000000,  0.150329470000000,  0.565889550000000 ]    mass: 79.904000    reduced_to: 2  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.412477860000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 4    coordinates: [  0.000000000000000,  0.087522140000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.000000000000000,  0.349670530000000,  0.065889550000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.500000000000000,  0.150329470000000,  0.934110450000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.849670530000000,  0.434110450000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 8    coordinates: [  0.000000000000000,  0.650329470000000,  0.565889550000000 ]    mass: 79.904000    reduced_to: 2  - symbol: Br # 9    coordinates: [  0.000000000000000,  0.912477860000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 10    coordinates: [  0.500000000000000,  0.587522140000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 11    coordinates: [  0.500000000000000,  0.849670530000000,  0.065889550000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 12    coordinates: [  0.000000000000000,  0.650329470000000,  0.934110450000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Sm # 13    coordinates: [  0.500000000000000,  0.241474430000000,  0.250000000000000 ]    mass: 150.360000    reduced_to: 13  - symbol: Sm # 14    coordinates: [  0.000000000000000,  0.258525570000000,  0.750000000000000 ]    mass: 150.360000    reduced_to: 14  - symbol: Sm # 15    coordinates: [  0.000000000000000,  0.741474430000000,  0.250000000000000 ]    mass: 150.360000    reduced_to: 13  - symbol: Sm # 16    coordinates: [  0.500000000000000,  0.758525570000000,  0.750000000000000 ]    mass: 150.360000    reduced_to: 14supercell:  lattice:  - [    15.968378840000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.207209510000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.999001880000002 ] # c  points:  - symbol: Br # 1    coordinates: [  0.000000000000000,  0.349670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.250000000000000,  0.349670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 3    coordinates: [  0.500000000000000,  0.349670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 4    coordinates: [  0.750000000000000,  0.349670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 5    coordinates: [  0.000000000000000,  0.349670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 6    coordinates: [  0.250000000000000,  0.349670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.349670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 8    coordinates: [  0.750000000000000,  0.349670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 9    coordinates: [  0.125000000000000,  0.150329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.375000000000000,  0.150329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 11    coordinates: [  0.625000000000000,  0.150329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 12    coordinates: [  0.875000000000000,  0.150329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 13    coordinates: [  0.125000000000000,  0.150329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 14    coordinates: [  0.375000000000000,  0.150329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 15    coordinates: [  0.625000000000000,  0.150329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 16    coordinates: [  0.875000000000000,  0.150329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 17    coordinates: [  0.125000000000000,  0.412477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 18    coordinates: [  0.375000000000000,  0.412477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 19    coordinates: [  0.625000000000000,  0.412477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 20    coordinates: [  0.875000000000000,  0.412477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 21    coordinates: [  0.125000000000000,  0.412477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 22    coordinates: [  0.375000000000000,  0.412477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 23    coordinates: [  0.625000000000000,  0.412477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 24    coordinates: [  0.875000000000000,  0.412477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 25    coordinates: [  0.000000000000000,  0.087522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 26    coordinates: [  0.250000000000000,  0.087522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 27    coordinates: [  0.500000000000000,  0.087522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 28    coordinates: [  0.750000000000000,  0.087522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 29    coordinates: [  0.000000000000000,  0.087522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 30    coordinates: [  0.250000000000000,  0.087522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 31    coordinates: [  0.500000000000000,  0.087522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 32    coordinates: [  0.750000000000000,  0.087522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 33    coordinates: [  0.000000000000000,  0.349670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 34    coordinates: [  0.250000000000000,  0.349670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 35    coordinates: [  0.500000000000000,  0.349670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 36    coordinates: [  0.750000000000000,  0.349670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 37    coordinates: [  0.000000000000000,  0.349670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 38    coordinates: [  0.250000000000000,  0.349670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 39    coordinates: [  0.500000000000000,  0.349670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 40    coordinates: [  0.750000000000000,  0.349670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 41    coordinates: [  0.125000000000000,  0.150329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.375000000000000,  0.150329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 43    coordinates: [  0.625000000000000,  0.150329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 44    coordinates: [  0.875000000000000,  0.150329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 45    coordinates: [  0.125000000000000,  0.150329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 46    coordinates: [  0.375000000000000,  0.150329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 47    coordinates: [  0.625000000000000,  0.150329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 48    coordinates: [  0.875000000000000,  0.150329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 49    coordinates: [  0.125000000000000,  0.849670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 50    coordinates: [  0.375000000000000,  0.849670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 51    coordinates: [  0.625000000000000,  0.849670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 52    coordinates: [  0.875000000000000,  0.849670530000000,  0.217055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 53    coordinates: [  0.125000000000000,  0.849670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 54    coordinates: [  0.375000000000000,  0.849670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 55    coordinates: [  0.625000000000000,  0.849670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 56    coordinates: [  0.875000000000000,  0.849670530000000,  0.717055225000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 57    coordinates: [  0.000000000000000,  0.650329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 58    coordinates: [  0.250000000000000,  0.650329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 59    coordinates: [  0.500000000000000,  0.650329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 60    coordinates: [  0.750000000000000,  0.650329470000000,  0.282944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 61    coordinates: [  0.000000000000000,  0.650329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 62    coordinates: [  0.250000000000000,  0.650329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 63    coordinates: [  0.500000000000000,  0.650329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 64    coordinates: [  0.750000000000000,  0.650329470000000,  0.782944775000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 65    coordinates: [  0.000000000000000,  0.912477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 66    coordinates: [  0.250000000000000,  0.912477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 67    coordinates: [  0.500000000000000,  0.912477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 68    coordinates: [  0.750000000000000,  0.912477860000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 69    coordinates: [  0.000000000000000,  0.912477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 70    coordinates: [  0.250000000000000,  0.912477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 71    coordinates: [  0.500000000000000,  0.912477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 72    coordinates: [  0.750000000000000,  0.912477860000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 73    coordinates: [  0.125000000000000,  0.587522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 74    coordinates: [  0.375000000000000,  0.587522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 75    coordinates: [  0.625000000000000,  0.587522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 76    coordinates: [  0.875000000000000,  0.587522140000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 77    coordinates: [  0.125000000000000,  0.587522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 78    coordinates: [  0.375000000000000,  0.587522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 79    coordinates: [  0.625000000000000,  0.587522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 80    coordinates: [  0.875000000000000,  0.587522140000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 81    coordinates: [  0.125000000000000,  0.849670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 82    coordinates: [  0.375000000000000,  0.849670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 83    coordinates: [  0.625000000000000,  0.849670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 84    coordinates: [  0.875000000000000,  0.849670530000000,  0.032944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 85    coordinates: [  0.125000000000000,  0.849670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 86    coordinates: [  0.375000000000000,  0.849670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 87    coordinates: [  0.625000000000000,  0.849670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 88    coordinates: [  0.875000000000000,  0.849670530000000,  0.532944775000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 89    coordinates: [  0.000000000000000,  0.650329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 90    coordinates: [  0.250000000000000,  0.650329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 91    coordinates: [  0.500000000000000,  0.650329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 92    coordinates: [  0.750000000000000,  0.650329470000000,  0.467055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 93    coordinates: [  0.000000000000000,  0.650329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 94    coordinates: [  0.250000000000000,  0.650329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 95    coordinates: [  0.500000000000000,  0.650329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 96    coordinates: [  0.750000000000000,  0.650329470000000,  0.967055225000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Sm # 97    coordinates: [  0.125000000000000,  0.241474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 98    coordinates: [  0.375000000000000,  0.241474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 99    coordinates: [  0.625000000000000,  0.241474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 100    coordinates: [  0.875000000000000,  0.241474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 101    coordinates: [  0.125000000000000,  0.241474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 102    coordinates: [  0.375000000000000,  0.241474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 103    coordinates: [  0.625000000000000,  0.241474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 104    coordinates: [  0.875000000000000,  0.241474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 105    coordinates: [  0.000000000000000,  0.258525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 106    coordinates: [  0.250000000000000,  0.258525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 107    coordinates: [  0.500000000000000,  0.258525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 108    coordinates: [  0.750000000000000,  0.258525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 109    coordinates: [  0.000000000000000,  0.258525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 110    coordinates: [  0.250000000000000,  0.258525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 111    coordinates: [  0.500000000000000,  0.258525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 112    coordinates: [  0.750000000000000,  0.258525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 113    coordinates: [  0.000000000000000,  0.741474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 114    coordinates: [  0.250000000000000,  0.741474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 115    coordinates: [  0.500000000000000,  0.741474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 116    coordinates: [  0.750000000000000,  0.741474430000000,  0.125000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 117    coordinates: [  0.000000000000000,  0.741474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 118    coordinates: [  0.250000000000000,  0.741474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 119    coordinates: [  0.500000000000000,  0.741474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 120    coordinates: [  0.750000000000000,  0.741474430000000,  0.625000000000000 ]    mass: 150.360000    reduced_to: 97  - symbol: Sm # 121    coordinates: [  0.125000000000000,  0.758525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 122    coordinates: [  0.375000000000000,  0.758525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 123    coordinates: [  0.625000000000000,  0.758525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 124    coordinates: [  0.875000000000000,  0.758525570000000,  0.375000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 125    coordinates: [  0.125000000000000,  0.758525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 126    coordinates: [  0.375000000000000,  0.758525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 127    coordinates: [  0.625000000000000,  0.758525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105  - symbol: Sm # 128    coordinates: [  0.875000000000000,  0.758525570000000,  0.875000000000000 ]    mass: 150.360000    reduced_to: 105born_effective_charge:- # 1 (Br)  - [ -1.351791140000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.558549380000000, -0.139379530000000 ]  - [ -0.000000000000000, -0.090588090000000, -1.612460120000000 ]- # 2 (Br)  - [ -1.351791140000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.558549380000000, -0.139379530000000 ]  - [ -0.000000000000000, -0.090588090000000, -1.612460120000000 ]- # 3 (Br)  - [ -1.862296370000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.066223050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.572603920000000 ]- # 4 (Br)  - [ -1.862296370000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.066223050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.572603920000000 ]- # 5 (Br)  - [ -1.351791140000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -0.558549380000000,  0.139379530000000 ]  - [  0.000000000000000,  0.090588090000000, -1.612460120000000 ]- # 6 (Br)  - [ -1.351791140000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -0.558549380000000,  0.139379530000000 ]  - [  0.000000000000000,  0.090588090000000, -1.612460120000000 ]- # 7 (Sm)  - [  4.565878640000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.183321800000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.797524150000000 ]- # 8 (Sm)  - [  4.565878640000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.183321800000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.797524150000000 ]dielectric_constant:  - [  4.860132570000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.609218190000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.870758530000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0361453800000000, -0.0011735300000000, -0.0003362800000000 ]  - [   0.0024531300000000, -0.0017379700000000, -0.0003611300000000 ]  - [   0.0005498600000000, -0.0014672500000000, -0.0005416800000000 ]  - [   0.0023967700000000, -0.0012035800000000, -0.0007224700000000 ]  - [  -0.0000957100000000, -0.0014669400000000, -0.0005447300000000 ]  - [   0.0000149200000000, -0.0014686100000000, -0.0005323600000000 ]  - [   0.0000987100000000, -0.0014670600000000, -0.0005430300000000 ]  - [   0.0000153100000000, -0.0014655400000000, -0.0005548200000000 ]  - [   0.0035026600000000, -0.0032580200000000,  0.0038740200000000 ]  - [   0.0004708000000000,  0.0014409200000000,  0.0007272500000000 ]  - [   0.0004717500000000,  0.0014811700000000,  0.0003593700000000 ]  - [   0.0034865400000000,  0.0061168200000000, -0.0027563000000000 ]  - [  -0.0000973700000000,  0.0015289500000000,  0.0003087200000000 ]  - [   0.0000955900000000,  0.0014616000000000,  0.0004937600000000 ]  - [   0.0000954100000000,  0.0014609800000000,  0.0005882700000000 ]  - [  -0.0000977500000000,  0.0013941600000000,  0.0007706700000000 ]  - [   0.0019740900000000,  0.0018004300000000,  0.0033079100000000 ]  - [   0.0004379800000000,  0.0011545400000000,  0.0000859000000000 ]  - [   0.0004397400000000,  0.0010708400000000, -0.0000847100000000 ]  - [   0.0019665500000000,  0.0004382900000000, -0.0032619300000000 ]  - [  -0.0002319100000000,  0.0011345600000000, -0.0000103900000000 ]  - [   0.0002185000000000,  0.0011213300000000, -0.0000670000000000 ]  - [   0.0002177600000000,  0.0011045300000000,  0.0000666600000000 ]  - [  -0.0002328200000000,  0.0010915300000000,  0.0000094300000000 ]  - [  -0.0023862500000000, -0.0011022700000000,  0.0000058500000000 ]  - [   0.0017681700000000, -0.0022406400000000,  0.0004443200000000 ]  - [   0.0006840900000000, -0.0011076200000000,  0.0000002800000000 ]  - [   0.0017606400000000,  0.0000223700000000, -0.0004423900000000 ]  - [  -0.0001904000000000, -0.0011068600000000, -0.0000008900000000 ]  - [   0.0000157000000000, -0.0011183100000000,  0.0000097900000000 ]  - [   0.0001584800000000, -0.0011071400000000, -0.0000003400000000 ]  - [   0.0000172500000000, -0.0010958100000000, -0.0000112700000000 ]  - [  -0.0024848000000000, -0.0014656900000000,  0.0005487800000000 ]  - [   0.0006271500000000, -0.0011439700000000, -0.0000599200000000 ]  - [   0.0003906800000000, -0.0014668300000000,  0.0005419900000000 ]  - [   0.0006244900000000, -0.0017882100000000,  0.0011429500000000 ]  - [  -0.0002003700000000, -0.0014680000000000,  0.0005366500000000 ]  - [   0.0000988700000000, -0.0015459800000000,  0.0007709900000000 ]  - [   0.0001424300000000, -0.0014668400000000,  0.0005420900000000 ]  - [   0.0001004600000000, -0.0013875800000000,  0.0003114900000000 ]  - [  -0.0003982400000000,  0.0015831700000000, -0.0004040000000000 ]  - [   0.0002102000000000,  0.0014258800000000, -0.0004015700000000 ]  - [   0.0002115800000000,  0.0014967000000000, -0.0006818800000000 ]  - [  -0.0003878600000000,  0.0013423300000000, -0.0006836500000000 ]  - [  -0.0003937600000000,  0.0014274500000000, -0.0017541000000000 ]  - [   0.0002111100000000,  0.0014732500000000, -0.0007317000000000 ]  - [   0.0002106700000000,  0.0014493500000000, -0.0003525500000000 ]  - [  -0.0003923200000000,  0.0014937600000000,  0.0006566500000000 ]  - [  -0.0001088600000000, -0.0014882900000000, -0.0005588100000000 ]  - [   0.0001161500000000, -0.0014993000000000, -0.0005373000000000 ]  - [   0.0001163300000000, -0.0014234000000000, -0.0005458300000000 ]  - [  -0.0001083600000000, -0.0014343300000000, -0.0005237700000000 ]  - [  -0.0000311000000000, -0.0014634600000000, -0.0005449100000000 ]  - [   0.0000308500000000, -0.0014645100000000, -0.0005449300000000 ]  - [   0.0000309600000000, -0.0014581000000000, -0.0005391800000000 ]  - [  -0.0000309700000000, -0.0014591300000000, -0.0005394800000000 ]  - [  -0.0001322000000000,  0.0014663000000000,  0.0005423000000000 ]  - [   0.0000032000000000,  0.0014847700000000,  0.0005907200000000 ]  - [   0.0001348900000000,  0.0014672800000000,  0.0005426200000000 ]  - [   0.0000038800000000,  0.0014494000000000,  0.0004947000000000 ]  - [  -0.0000497000000000,  0.0014669000000000,  0.0005421300000000 ]  - [   0.0000004900000000,  0.0014694400000000,  0.0005279800000000 ]  - [   0.0000510100000000,  0.0014670800000000,  0.0005422200000000 ]  - [   0.0000005300000000,  0.0014648500000000,  0.0005563300000000 ]  - [  -0.0001448600000000,  0.0011073900000000,  0.0000000800000000 ]  - [   0.0000257900000000,  0.0009269400000000,  0.0000103300000000 ]  - [   0.0001372500000000,  0.0011071900000000,  0.0000001600000000 ]  - [   0.0000264600000000,  0.0012876500000000, -0.0000101400000000 ]  - [  -0.0000898800000000,  0.0011069600000000,  0.0000000600000000 ]  - [   0.0000026600000000,  0.0010609000000000, -0.0000081000000000 ]  - [   0.0000841900000000,  0.0011072200000000,  0.0000000800000000 ]  - [   0.0000026700000000,  0.0011531400000000,  0.0000083800000000 ]  - [   0.0000562700000000, -0.0005671900000000, -0.0001315900000000 ]  - [   0.0001202500000000, -0.0010392800000000, -0.0000007400000000 ]  - [   0.0001203600000000, -0.0011853600000000,  0.0000006100000000 ]  - [   0.0000549800000000, -0.0016529600000000,  0.0001290700000000 ]  - [  -0.0000447900000000, -0.0010919700000000,  0.0000023300000000 ]  - [   0.0000453800000000, -0.0010968000000000,  0.0000029000000000 ]  - [   0.0000455300000000, -0.0011285900000000, -0.0000033800000000 ]  - [  -0.0000444900000000, -0.0011338700000000, -0.0000030100000000 ]  - [  -0.0000885800000000, -0.0014553400000000,  0.0005115700000000 ]  - [   0.0000915700000000, -0.0014838500000000,  0.0005140500000000 ]  - [   0.0000915700000000, -0.0014387000000000,  0.0005695800000000 ]  - [  -0.0000883700000000, -0.0014669800000000,  0.0005721800000000 ]  - [  -0.0000453900000000, -0.0014686200000000,  0.0005647200000000 ]  - [   0.0000476300000000, -0.0014665900000000,  0.0005725900000000 ]  - [   0.0000479200000000, -0.0014556400000000,  0.0005100700000000 ]  - [  -0.0000451000000000, -0.0014535600000000,  0.0005176300000000 ]  - [  -0.0000882600000000,  0.0014668300000000, -0.0005424600000000 ]  - [   0.0000033100000000,  0.0014736100000000, -0.0005126500000000 ]  - [   0.0000883000000000,  0.0014670700000000, -0.0005422900000000 ]  - [   0.0000038700000000,  0.0014602100000000, -0.0005720300000000 ]  - [  -0.0000882400000000,  0.0014670700000000, -0.0005420700000000 ]  - [   0.0000035400000000,  0.0014819100000000, -0.0005966800000000 ]  - [   0.0000883200000000,  0.0014670400000000, -0.0005422400000000 ]  - [   0.0000035600000000,  0.0014521900000000, -0.0004876900000000 ]  - [   0.0100127200000000, -0.0008406800000000, -0.0056097000000000 ]  - [  -0.0019259100000000,  0.0039801800000000,  0.0004281000000000 ]  - [  -0.0019206300000000,  0.0039917900000000, -0.0004264600000000 ]  - [   0.0097412700000000,  0.0085652200000000,  0.0053212900000000 ]  - [   0.0002843100000000,  0.0039406500000000, -0.0001034600000000 ]  - [  -0.0002894300000000,  0.0040115100000000, -0.0000935400000000 ]  - [  -0.0002911500000000,  0.0039587000000000,  0.0000959900000000 ]  - [   0.0002813200000000,  0.0040283700000000,  0.0001120500000000 ]  - [   0.0045490100000000, -0.0039866100000000,  0.0000101300000000 ]  - [  -0.0011042100000000, -0.0041166000000000, -0.0011976600000000 ]  - [  -0.0010632100000000, -0.0039832900000000, -0.0000015700000000 ]  - [  -0.0011210100000000, -0.0038526000000000,  0.0011942200000000 ]  - [   0.0009108700000000, -0.0039843900000000,  0.0000048700000000 ]  - [  -0.0001776700000000, -0.0040818700000000,  0.0005863000000000 ]  - [  -0.0005721600000000, -0.0039830800000000,  0.0000013300000000 ]  - [  -0.0001741900000000, -0.0038856100000000, -0.0005806900000000 ]  - [   0.0007906600000000,  0.0039833700000000, -0.0000017500000000 ]  - [  -0.0001370000000000,  0.0039772700000000,  0.0000388200000000 ]  - [  -0.0005113700000000,  0.0039831800000000, -0.0000006000000000 ]  - [  -0.0001382200000000,  0.0039897300000000, -0.0000409500000000 ]  - [   0.0001770300000000,  0.0039834500000000,  0.0000011700000000 ]  - [  -0.0000020100000000,  0.0039705800000000, -0.0000515000000000 ]  - [  -0.0001700200000000,  0.0039832600000000,  0.0000004300000000 ]  - [  -0.0000030000000000,  0.0039960400000000,  0.0000530100000000 ]  - [   0.0003407000000000, -0.0039414000000000, -0.0000943100000000 ]  - [  -0.0003393600000000, -0.0039417100000000, -0.0000693600000000 ]  - [  -0.0003408300000000, -0.0040278200000000,  0.0000688400000000 ]  - [   0.0003384200000000, -0.0040265200000000,  0.0000943300000000 ]  - [   0.0001709900000000, -0.0039642700000000,  0.0000806800000000 ]  - [  -0.0001703900000000, -0.0039738800000000,  0.0000731800000000 ]  - [  -0.0001702600000000, -0.0039958300000000, -0.0000722700000000 ]  - [   0.0001711200000000, -0.0040053700000000, -0.0000797300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0374139000000000, -0.0075257400000000 ]  - [   0.0002654800000000, -0.0019006300000000, -0.0008576200000000 ]  - [   0.0000000000000000, -0.0015422300000000, -0.0005866300000000 ]  - [  -0.0002654800000000, -0.0019006300000000, -0.0008576200000000 ]  - [   0.0000000000000000, -0.0014485900000000, -0.0006147000000000 ]  - [   0.0000013500000000, -0.0014820700000000, -0.0004992500000000 ]  - [   0.0000000000000000, -0.0014607300000000, -0.0005090300000000 ]  - [  -0.0000013500000000, -0.0014820700000000, -0.0004992500000000 ]  - [  -0.0046479400000000,  0.0055380700000000, -0.0023457600000000 ]  - [  -0.0000200000000000,  0.0013550000000000,  0.0004767500000000 ]  - [   0.0000200000000000,  0.0013550000000000,  0.0004767500000000 ]  - [   0.0046479400000000,  0.0055380700000000, -0.0023457600000000 ]  - [   0.0000674500000000,  0.0014182100000000,  0.0006174400000000 ]  - [   0.0000002400000000,  0.0014668500000000,  0.0005796900000000 ]  - [  -0.0000002400000000,  0.0014668500000000,  0.0005796900000000 ]  - [  -0.0000674500000000,  0.0014182100000000,  0.0006174400000000 ]  - [   0.0018301800000000,  0.0006208300000000,  0.0020700100000000 ]  - [   0.0000257800000000,  0.0010336000000000, -0.0000061600000000 ]  - [  -0.0000257800000000,  0.0010336000000000, -0.0000061600000000 ]  - [  -0.0018301800000000,  0.0006208300000000,  0.0020700100000000 ]  - [   0.0000942000000000,  0.0010803500000000, -0.0000157400000000 ]  - [  -0.0000210000000000,  0.0010933400000000,  0.0000277600000000 ]  - [   0.0000210000000000,  0.0010933400000000,  0.0000277600000000 ]  - [  -0.0000942000000000,  0.0010803500000000, -0.0000157400000000 ]  - [   0.0000000000000000,  0.0025177600000000,  0.0020979700000000 ]  - [  -0.0003997300000000, -0.0008399300000000, -0.0002593100000000 ]  - [   0.0000000000000000, -0.0011345300000000,  0.0000070600000000 ]  - [   0.0003997300000000, -0.0008399300000000, -0.0002593100000000 ]  - [   0.0000000000000000, -0.0011154000000000, -0.0000019800000000 ]  - [  -0.0000173600000000, -0.0011242000000000,  0.0000006700000000 ]  - [   0.0000000000000000, -0.0011237200000000,  0.0000021000000000 ]  - [   0.0000173600000000, -0.0011242000000000,  0.0000006700000000 ]  - [   0.0000000000000000, -0.0034950300000000, -0.0015034700000000 ]  - [  -0.0003222100000000, -0.0018161900000000,  0.0007465100000000 ]  - [   0.0000000000000000, -0.0014743700000000,  0.0005548300000000 ]  - [   0.0003222100000000, -0.0018161900000000,  0.0007465100000000 ]  - [   0.0000000000000000, -0.0017434800000000,  0.0002426500000000 ]  - [   0.0000791100000000, -0.0015852800000000,  0.0006516900000000 ]  - [   0.0000000000000000, -0.0014772900000000,  0.0005436400000000 ]  - [  -0.0000791100000000, -0.0015852800000000,  0.0006516900000000 ]  - [  -0.0000363300000000,  0.0014030200000000, -0.0004738600000000 ]  - [   0.0000116500000000,  0.0014461900000000, -0.0005478400000000 ]  - [  -0.0000116500000000,  0.0014461900000000, -0.0005478400000000 ]  - [   0.0000363300000000,  0.0014030200000000, -0.0004738600000000 ]  - [   0.0001208400000000,  0.0014023800000000, -0.0001466400000000 ]  - [  -0.0000356100000000,  0.0014461200000000, -0.0004963500000000 ]  - [   0.0000356100000000,  0.0014461200000000, -0.0004963500000000 ]  - [  -0.0001208400000000,  0.0014023800000000, -0.0001466400000000 ]  - [   0.0000274300000000, -0.0013279500000000, -0.0005201300000000 ]  - [   0.0000385200000000, -0.0014246600000000, -0.0005133300000000 ]  - [  -0.0000385200000000, -0.0014246600000000, -0.0005133300000000 ]  - [  -0.0000274300000000, -0.0013279500000000, -0.0005201300000000 ]  - [   0.0000022100000000, -0.0014540600000000, -0.0005300500000000 ]  - [   0.0000031900000000, -0.0014583600000000, -0.0005350000000000 ]  - [  -0.0000031900000000, -0.0014583600000000, -0.0005350000000000 ]  - [  -0.0000022100000000, -0.0014540600000000, -0.0005300500000000 ]  - [   0.0000000000000000,  0.0018736900000000,  0.0007737200000000 ]  - [   0.0000179800000000,  0.0015175800000000,  0.0005696400000000 ]  - [   0.0000000000000000,  0.0014808700000000,  0.0005470100000000 ]  - [  -0.0000179800000000,  0.0015175800000000,  0.0005696400000000 ]  - [   0.0000000000000000,  0.0014804400000000,  0.0005390700000000 ]  - [   0.0000023800000000,  0.0014733700000000,  0.0005427000000000 ]  - [   0.0000000000000000,  0.0014668800000000,  0.0005480300000000 ]  - [  -0.0000023800000000,  0.0014733700000000,  0.0005427000000000 ]  - [   0.0000000000000000,  0.0012382700000000,  0.0000297400000000 ]  - [  -0.0000037000000000,  0.0012487100000000, -0.0000028400000000 ]  - [   0.0000000000000000,  0.0011245400000000,  0.0000035900000000 ]  - [   0.0000037000000000,  0.0012487100000000, -0.0000028400000000 ]  - [   0.0000000000000000,  0.0011602800000000, -0.0000034900000000 ]  - [   0.0000029300000000,  0.0011307200000000, -0.0000002400000000 ]  - [   0.0000000000000000,  0.0011229500000000, -0.0000011500000000 ]  - [  -0.0000029300000000,  0.0011307200000000, -0.0000002400000000 ]  - [   0.0003135800000000, -0.0003104700000000, -0.0001650500000000 ]  - [   0.0000393800000000, -0.0011105300000000, -0.0000018100000000 ]  - [  -0.0000393800000000, -0.0011105300000000, -0.0000018100000000 ]  - [  -0.0003135800000000, -0.0003104700000000, -0.0001650500000000 ]  - [   0.0000056600000000, -0.0011023000000000,  0.0000051400000000 ]  - [   0.0000077300000000, -0.0011080500000000,  0.0000029100000000 ]  - [  -0.0000077300000000, -0.0011080500000000,  0.0000029100000000 ]  - [  -0.0000056600000000, -0.0011023000000000,  0.0000051400000000 ]  - [  -0.0000054600000000, -0.0013187900000000,  0.0004917700000000 ]  - [   0.0000229200000000, -0.0014374800000000,  0.0005142500000000 ]  - [  -0.0000229200000000, -0.0014374800000000,  0.0005142500000000 ]  - [   0.0000054600000000, -0.0013187900000000,  0.0004917700000000 ]  - [   0.0000075600000000, -0.0014425100000000,  0.0005500200000000 ]  - [   0.0000054900000000, -0.0014506600000000,  0.0005427600000000 ]  - [  -0.0000054900000000, -0.0014506600000000,  0.0005427600000000 ]  - [  -0.0000075600000000, -0.0014425100000000,  0.0005500200000000 ]  - [   0.0000000000000000,  0.0015173300000000, -0.0005189800000000 ]  - [   0.0000150100000000,  0.0014990500000000, -0.0005402000000000 ]  - [   0.0000000000000000,  0.0014717000000000, -0.0005483800000000 ]  - [  -0.0000150100000000,  0.0014990500000000, -0.0005402000000000 ]  - [   0.0000000000000000,  0.0015173500000000, -0.0005944900000000 ]  - [   0.0000071400000000,  0.0014992900000000, -0.0005708400000000 ]  - [   0.0000000000000000,  0.0014716900000000, -0.0005444500000000 ]  - [  -0.0000071400000000,  0.0014992900000000, -0.0005708400000000 ]  - [  -0.0068148800000000,  0.0131358300000000,  0.0070337700000000 ]  - [   0.0001743000000000,  0.0042885400000000,  0.0002387800000000 ]  - [  -0.0001743000000000,  0.0042885400000000,  0.0002387800000000 ]  - [   0.0068148800000000,  0.0131358300000000,  0.0070337700000000 ]  - [   0.0000782600000000,  0.0040616600000000,  0.0000102100000000 ]  - [  -0.0000538700000000,  0.0040425900000000, -0.0000547400000000 ]  - [   0.0000538700000000,  0.0040425900000000, -0.0000547400000000 ]  - [  -0.0000782600000000,  0.0040616600000000,  0.0000102100000000 ]  - [   0.0000000000000000,  0.0021826200000000, -0.0066199300000000 ]  - [  -0.0000796000000000, -0.0027818900000000,  0.0003850400000000 ]  - [   0.0000000000000000, -0.0038757000000000,  0.0000802800000000 ]  - [   0.0000796000000000, -0.0027818900000000,  0.0003850400000000 ]  - [   0.0000000000000000, -0.0034872700000000,  0.0003568900000000 ]  - [   0.0000051200000000, -0.0038842200000000, -0.0002061600000000 ]  - [   0.0000000000000000, -0.0039709600000000, -0.0000769100000000 ]  - [  -0.0000051200000000, -0.0038842200000000, -0.0002061600000000 ]  - [   0.0000000000000000,  0.0032125800000000,  0.0000780700000000 ]  - [  -0.0002610100000000,  0.0036746700000000, -0.0000146600000000 ]  - [   0.0000000000000000,  0.0039389600000000,  0.0000108700000000 ]  - [   0.0002610100000000,  0.0036746700000000, -0.0000146600000000 ]  - [   0.0000000000000000,  0.0039388100000000, -0.0000528800000000 ]  - [  -0.0000138100000000,  0.0039551600000000, -0.0000337400000000 ]  - [   0.0000000000000000,  0.0039723100000000, -0.0000137500000000 ]  - [   0.0000138100000000,  0.0039551600000000, -0.0000337400000000 ]  - [  -0.0001586300000000, -0.0042749500000000, -0.0000557700000000 ]  - [  -0.0000053000000000, -0.0040795600000000, -0.0000071300000000 ]  - [   0.0000053000000000, -0.0040795600000000, -0.0000071300000000 ]  - [   0.0001586300000000, -0.0042749500000000, -0.0000557700000000 ]  - [  -0.0000174400000000, -0.0040705200000000, -0.0000033800000000 ]  - [  -0.0000156800000000, -0.0040087500000000, -0.0000036700000000 ]  - [   0.0000156800000000, -0.0040087500000000, -0.0000036700000000 ]  - [   0.0000174400000000, -0.0040705200000000, -0.0000033800000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0348250700000000,  0.0065094800000000 ]  - [  -0.0002687700000000, -0.0010375300000000, -0.0002268600000000 ]  - [   0.0000000000000000, -0.0013931800000000, -0.0004985100000000 ]  - [   0.0002687700000000, -0.0010375300000000, -0.0002268600000000 ]  - [   0.0000000000000000, -0.0014871800000000, -0.0004707800000000 ]  - [  -0.0000017400000000, -0.0014534400000000, -0.0005858400000000 ]  - [   0.0000000000000000, -0.0014746500000000, -0.0005758900000000 ]  - [   0.0000017400000000, -0.0014534400000000, -0.0005858400000000 ]  - [   0.0047271100000000, -0.0026826900000000,  0.0034704500000000 ]  - [   0.0000204100000000,  0.0015668500000000,  0.0006067500000000 ]  - [  -0.0000204100000000,  0.0015668500000000,  0.0006067500000000 ]  - [  -0.0047271100000000, -0.0026826900000000,  0.0034704500000000 ]  - [  -0.0000674500000000,  0.0015043300000000,  0.0004667500000000 ]  - [  -0.0000003400000000,  0.0014557900000000,  0.0005042800000000 ]  - [   0.0000003400000000,  0.0014557900000000,  0.0005042800000000 ]  - [   0.0000674500000000,  0.0015043300000000,  0.0004667500000000 ]  - [  -0.0018262900000000,  0.0015844000000000, -0.0020661200000000 ]  - [  -0.0000260400000000,  0.0011889400000000,  0.0000066700000000 ]  - [   0.0000260400000000,  0.0011889400000000,  0.0000066700000000 ]  - [   0.0018262900000000,  0.0015844000000000, -0.0020661200000000 ]  - [  -0.0000950300000000,  0.0011427900000000,  0.0000170500000000 ]  - [   0.0000209000000000,  0.0011298100000000, -0.0000273100000000 ]  - [  -0.0000209000000000,  0.0011298100000000, -0.0000273100000000 ]  - [   0.0000950300000000,  0.0011427900000000,  0.0000170500000000 ]  - [   0.0000000000000000, -0.0048084600000000, -0.0021425500000000 ]  - [   0.0003905600000000, -0.0013688600000000,  0.0002584100000000 ]  - [   0.0000000000000000, -0.0010795300000000, -0.0000073000000000 ]  - [  -0.0003905600000000, -0.0013688600000000,  0.0002584100000000 ]  - [   0.0000000000000000, -0.0010984500000000,  0.0000012500000000 ]  - [   0.0000163000000000, -0.0010897400000000, -0.0000013800000000 ]  - [   0.0000000000000000, -0.0010901800000000, -0.0000023600000000 ]  - [  -0.0000163000000000, -0.0010897400000000, -0.0000013800000000 ]  - [   0.0000000000000000,  0.0005515600000000,  0.0026315700000000 ]  - [   0.0003220600000000, -0.0011175900000000,  0.0003389000000000 ]  - [   0.0000000000000000, -0.0014611800000000,  0.0005303400000000 ]  - [  -0.0003220600000000, -0.0011175900000000,  0.0003389000000000 ]  - [   0.0000000000000000, -0.0011920400000000,  0.0008425700000000 ]  - [  -0.0000792100000000, -0.0013508300000000,  0.0004337000000000 ]  - [   0.0000000000000000, -0.0014578300000000,  0.0005409600000000 ]  - [   0.0000792100000000, -0.0013508300000000,  0.0004337000000000 ]  - [   0.0000298500000000,  0.0015193600000000, -0.0006161000000000 ]  - [  -0.0000121000000000,  0.0014763000000000, -0.0005360400000000 ]  - [   0.0000121000000000,  0.0014763000000000, -0.0005360400000000 ]  - [  -0.0000298500000000,  0.0015193600000000, -0.0006161000000000 ]  - [  -0.0001201000000000,  0.0015187400000000, -0.0009338500000000 ]  - [   0.0000352500000000,  0.0014762200000000, -0.0005863200000000 ]  - [  -0.0000352500000000,  0.0014762200000000, -0.0005863200000000 ]  - [   0.0001201000000000,  0.0015187400000000, -0.0009338500000000 ]  - [  -0.0000266200000000, -0.0015947800000000, -0.0005628400000000 ]  - [  -0.0000374300000000, -0.0014988200000000, -0.0005699600000000 ]  - [   0.0000374300000000, -0.0014988200000000, -0.0005699600000000 ]  - [   0.0000266200000000, -0.0015947800000000, -0.0005628400000000 ]  - [  -0.0000022000000000, -0.0014698100000000, -0.0005539000000000 ]  - [  -0.0000031300000000, -0.0014656200000000, -0.0005487600000000 ]  - [   0.0000031300000000, -0.0014656200000000, -0.0005487600000000 ]  - [   0.0000022000000000, -0.0014698100000000, -0.0005539000000000 ]  - [   0.0000000000000000,  0.0010776900000000,  0.0003198800000000 ]  - [  -0.0000174700000000,  0.0014170300000000,  0.0005163000000000 ]  - [   0.0000000000000000,  0.0014535300000000,  0.0005380600000000 ]  - [   0.0000174700000000,  0.0014170300000000,  0.0005163000000000 ]  - [   0.0000000000000000,  0.0014532000000000,  0.0005456900000000 ]  - [  -0.0000022400000000,  0.0014607100000000,  0.0005421400000000 ]  - [   0.0000000000000000,  0.0014670300000000,  0.0005371200000000 ]  - [   0.0000022400000000,  0.0014607100000000,  0.0005421400000000 ]  - [   0.0000000000000000,  0.0009775300000000, -0.0000286400000000 ]  - [   0.0000040900000000,  0.0009648400000000,  0.0000032400000000 ]  - [   0.0000000000000000,  0.0010884000000000, -0.0000031100000000 ]  - [  -0.0000040900000000,  0.0009648400000000,  0.0000032400000000 ]  - [   0.0000000000000000,  0.0010525800000000,  0.0000035000000000 ]  - [  -0.0000026100000000,  0.0010821100000000,  0.0000006000000000 ]  - [   0.0000000000000000,  0.0010900300000000,  0.0000014200000000 ]  - [   0.0000026100000000,  0.0010821100000000,  0.0000006000000000 ]  - [  -0.0003045700000000, -0.0018970400000000,  0.0001591000000000 ]  - [  -0.0000382700000000, -0.0011143000000000,  0.0000015900000000 ]  - [   0.0000382700000000, -0.0011143000000000,  0.0000015900000000 ]  - [   0.0003045700000000, -0.0018970400000000,  0.0001591000000000 ]  - [  -0.0000056400000000, -0.0011228400000000, -0.0000053700000000 ]  - [  -0.0000075700000000, -0.0011170300000000, -0.0000030200000000 ]  - [   0.0000075700000000, -0.0011170300000000, -0.0000030200000000 ]  - [   0.0000056400000000, -0.0011228400000000, -0.0000053700000000 ]  - [   0.0000062100000000, -0.0016039900000000,  0.0005908500000000 ]  - [  -0.0000222200000000, -0.0014860300000000,  0.0005691600000000 ]  - [   0.0000222200000000, -0.0014860300000000,  0.0005691600000000 ]  - [  -0.0000062100000000, -0.0016039900000000,  0.0005908500000000 ]  - [  -0.0000075200000000, -0.0014808600000000,  0.0005336500000000 ]  - [  -0.0000054900000000, -0.0014729200000000,  0.0005407100000000 ]  - [   0.0000054900000000, -0.0014729200000000,  0.0005407100000000 ]  - [   0.0000075200000000, -0.0014808600000000,  0.0005336500000000 ]  - [   0.0000000000000000,  0.0014171000000000, -0.0005648400000000 ]  - [  -0.0000148500000000,  0.0014347300000000, -0.0005439000000000 ]  - [   0.0000000000000000,  0.0014622000000000, -0.0005360700000000 ]  - [   0.0000148500000000,  0.0014347300000000, -0.0005439000000000 ]  - [   0.0000000000000000,  0.0014170900000000, -0.0004911500000000 ]  - [  -0.0000063700000000,  0.0014349400000000, -0.0005146700000000 ]  - [   0.0000000000000000,  0.0014622600000000, -0.0005400400000000 ]  - [   0.0000063700000000,  0.0014349400000000, -0.0005146700000000 ]  - [   0.0070020900000000, -0.0052069000000000, -0.0071792200000000 ]  - [  -0.0001720200000000,  0.0036836300000000, -0.0002386500000000 ]  - [   0.0001720200000000,  0.0036836300000000, -0.0002386500000000 ]  - [  -0.0070020900000000, -0.0052069000000000, -0.0071792200000000 ]  - [  -0.0000777500000000,  0.0039095200000000, -0.0000077400000000 ]  - [   0.0000543200000000,  0.0039274500000000,  0.0000549900000000 ]  - [  -0.0000543200000000,  0.0039274500000000,  0.0000549900000000 ]  - [   0.0000777500000000,  0.0039095200000000, -0.0000077400000000 ]  - [   0.0000000000000000, -0.0101378800000000,  0.0067441900000000 ]  - [   0.0000835800000000, -0.0051790300000000, -0.0003816700000000 ]  - [   0.0000000000000000, -0.0040908300000000, -0.0000799800000000 ]  - [  -0.0000835800000000, -0.0051790300000000, -0.0003816700000000 ]  - [   0.0000000000000000, -0.0044816200000000, -0.0003569400000000 ]  - [  -0.0000046900000000, -0.0040827000000000,  0.0002062500000000 ]  - [   0.0000000000000000, -0.0039957800000000,  0.0000768300000000 ]  - [   0.0000046900000000, -0.0040827000000000,  0.0002062500000000 ]  - [   0.0000000000000000,  0.0047474300000000, -0.0000776800000000 ]  - [   0.0002549700000000,  0.0042876800000000,  0.0000133400000000 ]  - [   0.0000000000000000,  0.0040263200000000, -0.0000107600000000 ]  - [  -0.0002549700000000,  0.0042876800000000,  0.0000133400000000 ]  - [   0.0000000000000000,  0.0040266700000000,  0.0000527200000000 ]  - [   0.0000137700000000,  0.0040104400000000,  0.0000337000000000 ]  - [   0.0000000000000000,  0.0039934900000000,  0.0000137500000000 ]  - [  -0.0000137700000000,  0.0040104400000000,  0.0000337000000000 ]  - [   0.0001557700000000, -0.0036986300000000,  0.0000527800000000 ]  - [   0.0000047500000000, -0.0038917200000000,  0.0000067500000000 ]  - [  -0.0000047500000000, -0.0038917200000000,  0.0000067500000000 ]  - [  -0.0001557700000000, -0.0036986300000000,  0.0000527800000000 ]  - [   0.0000169300000000, -0.0039007200000000,  0.0000055300000000 ]  - [   0.0000149400000000, -0.0039623800000000,  0.0000045100000000 ]  - [  -0.0000149400000000, -0.0039623800000000,  0.0000045100000000 ]  - [  -0.0000169300000000, -0.0039007200000000,  0.0000055300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0081715800000000, -0.0533733100000000 ]  - [  -0.0001873700000000, -0.0017806300000000, -0.0014300200000000 ]  - [   0.0000000000000000, -0.0015111800000000, -0.0008378900000000 ]  - [   0.0001873700000000, -0.0017806300000000, -0.0014300200000000 ]  - [   0.0000000000000000, -0.0015392300000000,  0.0001382300000000 ]  - [  -0.0000107700000000, -0.0014239700000000, -0.0001834100000000 ]  - [   0.0000000000000000, -0.0014336300000000, -0.0003463500000000 ]  - [   0.0000107700000000, -0.0014239700000000, -0.0001834100000000 ]  - [   0.0033157700000000, -0.0014501600000000,  0.0005974700000000 ]  - [   0.0001839900000000,  0.0013963700000000,  0.0001964700000000 ]  - [  -0.0001839900000000,  0.0013963700000000,  0.0001964700000000 ]  - [  -0.0033157700000000, -0.0014501600000000,  0.0005974700000000 ]  - [  -0.0002293400000000,  0.0015360700000000,  0.0010136500000000 ]  - [  -0.0000470000000000,  0.0014991500000000,  0.0007704100000000 ]  - [   0.0000470000000000,  0.0014991500000000,  0.0007704100000000 ]  - [   0.0002293400000000,  0.0015360700000000,  0.0010136500000000 ]  - [   0.0044084100000000,  0.0023224400000000,  0.0037655900000000 ]  - [   0.0002500700000000,  0.0011560000000000, -0.0000843100000000 ]  - [  -0.0002500700000000,  0.0011560000000000, -0.0000843100000000 ]  - [  -0.0044084100000000,  0.0023224400000000,  0.0037655900000000 ]  - [  -0.0005299200000000,  0.0010419300000000,  0.0002982400000000 ]  - [  -0.0001301000000000,  0.0010829200000000,  0.0000815200000000 ]  - [   0.0001301000000000,  0.0010829200000000,  0.0000815200000000 ]  - [   0.0005299200000000,  0.0010419300000000,  0.0002982400000000 ]  - [   0.0000000000000000,  0.0011857100000000,  0.0006124400000000 ]  - [  -0.0016882400000000,  0.0000398400000000, -0.0005322600000000 ]  - [   0.0000000000000000, -0.0011236100000000, -0.0000839700000000 ]  - [   0.0016882400000000,  0.0000398400000000, -0.0005322600000000 ]  - [   0.0000000000000000, -0.0011568700000000,  0.0001873900000000 ]  - [   0.0001258800000000, -0.0011394500000000,  0.0001672800000000 ]  - [   0.0000000000000000, -0.0011309400000000,  0.0000608800000000 ]  - [  -0.0001258800000000, -0.0011394500000000,  0.0001672800000000 ]  - [   0.0000000000000000,  0.0005800700000000,  0.0175300300000000 ]  - [  -0.0006032700000000, -0.0016711900000000,  0.0007182700000000 ]  - [   0.0000000000000000, -0.0014795400000000,  0.0005282200000000 ]  - [   0.0006032700000000, -0.0016711900000000,  0.0007182700000000 ]  - [   0.0000000000000000, -0.0011655700000000,  0.0018194700000000 ]  - [   0.0002309800000000, -0.0015766600000000,  0.0009398600000000 ]  - [   0.0000000000000000, -0.0014683500000000,  0.0006332300000000 ]  - [  -0.0002309800000000, -0.0015766600000000,  0.0009398600000000 ]  - [   0.0012153100000000,  0.0010654500000000, -0.0001878600000000 ]  - [   0.0001903500000000,  0.0014162900000000, -0.0004670900000000 ]  - [  -0.0001903500000000,  0.0014162900000000, -0.0004670900000000 ]  - [  -0.0012153100000000,  0.0010654500000000, -0.0001878600000000 ]  - [  -0.0001403800000000,  0.0013926900000000, -0.0001830900000000 ]  - [  -0.0001403100000000,  0.0014672400000000, -0.0004656700000000 ]  - [   0.0001403100000000,  0.0014672400000000, -0.0004656700000000 ]  - [   0.0001403800000000,  0.0013926900000000, -0.0001830900000000 ]  - [   0.0000172100000000, -0.0014405500000000, -0.0007602000000000 ]  - [  -0.0000046100000000, -0.0014333500000000, -0.0006855000000000 ]  - [   0.0000046100000000, -0.0014333500000000, -0.0006855000000000 ]  - [  -0.0000172100000000, -0.0014405500000000, -0.0007602000000000 ]  - [   0.0000027700000000, -0.0014494700000000, -0.0003928200000000 ]  - [   0.0000028400000000, -0.0014545300000000, -0.0004301700000000 ]  - [  -0.0000028400000000, -0.0014545300000000, -0.0004301700000000 ]  - [  -0.0000027700000000, -0.0014494700000000, -0.0003928200000000 ]  - [   0.0000000000000000,  0.0016947500000000,  0.0004850600000000 ]  - [   0.0000478900000000,  0.0014937800000000,  0.0003950800000000 ]  - [   0.0000000000000000,  0.0014716100000000,  0.0004166200000000 ]  - [  -0.0000478900000000,  0.0014937800000000,  0.0003950800000000 ]  - [   0.0000000000000000,  0.0014635400000000,  0.0006798200000000 ]  - [  -0.0000141200000000,  0.0014675700000000,  0.0006579900000000 ]  - [   0.0000000000000000,  0.0014725700000000,  0.0006371000000000 ]  - [   0.0000141200000000,  0.0014675700000000,  0.0006579900000000 ]  - [   0.0000000000000000,  0.0010306100000000, -0.0000208800000000 ]  - [   0.0000766700000000,  0.0009956900000000, -0.0000268000000000 ]  - [   0.0000000000000000,  0.0011020100000000, -0.0000227400000000 ]  - [  -0.0000766700000000,  0.0009956900000000, -0.0000268000000000 ]  - [   0.0000000000000000,  0.0011745300000000,  0.0000300500000000 ]  - [  -0.0000283700000000,  0.0011546900000000,  0.0000235600000000 ]  - [   0.0000000000000000,  0.0011285200000000,  0.0000213000000000 ]  - [   0.0000283700000000,  0.0011546900000000,  0.0000235600000000 ]  - [  -0.0001275200000000, -0.0014577400000000,  0.0000431800000000 ]  - [  -0.0000076900000000, -0.0011258100000000, -0.0000309700000000 ]  - [   0.0000076900000000, -0.0011258100000000, -0.0000309700000000 ]  - [   0.0001275200000000, -0.0014577400000000,  0.0000431800000000 ]  - [   0.0000202600000000, -0.0010593800000000,  0.0000419900000000 ]  - [   0.0000187900000000, -0.0010985500000000,  0.0000318000000000 ]  - [  -0.0000187900000000, -0.0010985500000000,  0.0000318000000000 ]  - [  -0.0000202600000000, -0.0010593800000000,  0.0000419900000000 ]  - [  -0.0000307000000000, -0.0014122100000000,  0.0004868600000000 ]  - [  -0.0000281700000000, -0.0014341000000000,  0.0005096400000000 ]  - [   0.0000281700000000, -0.0014341000000000,  0.0005096400000000 ]  - [   0.0000307000000000, -0.0014122100000000,  0.0004868600000000 ]  - [   0.0000236100000000, -0.0014694000000000,  0.0006432100000000 ]  - [   0.0000312800000000, -0.0014622500000000,  0.0006025800000000 ]  - [  -0.0000312800000000, -0.0014622500000000,  0.0006025800000000 ]  - [  -0.0000236100000000, -0.0014694000000000,  0.0006432100000000 ]  - [   0.0000000000000000,  0.0015189100000000, -0.0005135100000000 ]  - [   0.0000546300000000,  0.0014952600000000, -0.0005292600000000 ]  - [   0.0000000000000000,  0.0014692700000000, -0.0005292300000000 ]  - [  -0.0000546300000000,  0.0014952600000000, -0.0005292600000000 ]  - [   0.0000000000000000,  0.0014438200000000, -0.0005117100000000 ]  - [  -0.0000299300000000,  0.0014650100000000, -0.0005278600000000 ]  - [   0.0000000000000000,  0.0014731000000000, -0.0005285000000000 ]  - [   0.0000299300000000,  0.0014650100000000, -0.0005278600000000 ]  - [  -0.0039477000000000,  0.0085744800000000,  0.0110143100000000 ]  - [   0.0006133600000000,  0.0043549600000000,  0.0006166400000000 ]  - [  -0.0006133600000000,  0.0043549600000000,  0.0006166400000000 ]  - [   0.0039477000000000,  0.0085744800000000,  0.0110143100000000 ]  - [  -0.0002532300000000,  0.0041009400000000, -0.0012812800000000 ]  - [  -0.0002015400000000,  0.0040064300000000, -0.0004867500000000 ]  - [   0.0002015400000000,  0.0040064300000000, -0.0004867500000000 ]  - [   0.0002532300000000,  0.0041009400000000, -0.0012812800000000 ]  - [   0.0000000000000000, -0.0074148700000000,  0.0062444900000000 ]  - [  -0.0019352900000000, -0.0037216100000000,  0.0003766200000000 ]  - [   0.0000000000000000, -0.0039064000000000,  0.0002696000000000 ]  - [   0.0019352900000000, -0.0037216100000000,  0.0003766200000000 ]  - [   0.0000000000000000, -0.0048495900000000, -0.0025213600000000 ]  - [   0.0006364700000000, -0.0040728100000000, -0.0006502200000000 ]  - [   0.0000000000000000, -0.0039948700000000, -0.0003137400000000 ]  - [  -0.0006364700000000, -0.0040728100000000, -0.0006502200000000 ]  - [   0.0000000000000000,  0.0038593900000000,  0.0005293700000000 ]  - [   0.0000798700000000,  0.0038933700000000,  0.0003322700000000 ]  - [   0.0000000000000000,  0.0039468300000000,  0.0002034800000000 ]  - [  -0.0000798700000000,  0.0038933700000000,  0.0003322700000000 ]  - [   0.0000000000000000,  0.0039429300000000, -0.0003946300000000 ]  - [  -0.0000811500000000,  0.0039619300000000, -0.0003083200000000 ]  - [   0.0000000000000000,  0.0039802100000000, -0.0002081100000000 ]  - [   0.0000811500000000,  0.0039619300000000, -0.0003083200000000 ]  - [  -0.0001988800000000, -0.0040903700000000,  0.0001604500000000 ]  - [  -0.0001958900000000, -0.0039807900000000,  0.0001774100000000 ]  - [   0.0001958900000000, -0.0039807900000000,  0.0001774100000000 ]  - [   0.0001988800000000, -0.0040903700000000,  0.0001604500000000 ]  - [   0.0000833000000000, -0.0039750500000000, -0.0002561300000000 ]  - [   0.0000694300000000, -0.0039965400000000, -0.0001727700000000 ]  - [  -0.0000694300000000, -0.0039965400000000, -0.0001727700000000 ]  - [  -0.0000833000000000, -0.0039750500000000, -0.0002561300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0058559800000000,  0.0523039800000000 ]  - [   0.0001740000000000, -0.0011500300000000,  0.0003433100000000 ]  - [   0.0000000000000000, -0.0014232800000000, -0.0002476800000000 ]  - [  -0.0001740000000000, -0.0011500300000000,  0.0003433100000000 ]  - [   0.0000000000000000, -0.0013954500000000, -0.0012219900000000 ]  - [   0.0000116300000000, -0.0015106600000000, -0.0008998300000000 ]  - [   0.0000000000000000, -0.0015005600000000, -0.0007370700000000 ]  - [  -0.0000116300000000, -0.0015106600000000, -0.0008998300000000 ]  - [  -0.0033144100000000,  0.0043658500000000,  0.0004698500000000 ]  - [  -0.0001841100000000,  0.0015267200000000,  0.0008843700000000 ]  - [   0.0001841100000000,  0.0015267200000000,  0.0008843700000000 ]  - [   0.0033144100000000,  0.0043658500000000,  0.0004698500000000 ]  - [   0.0002327300000000,  0.0013857600000000,  0.0000726300000000 ]  - [   0.0000473500000000,  0.0014241400000000,  0.0003150100000000 ]  - [  -0.0000473500000000,  0.0014241400000000,  0.0003150100000000 ]  - [  -0.0002327300000000,  0.0013857600000000,  0.0000726300000000 ]  - [  -0.0043228800000000, -0.0000722700000000, -0.0036851800000000 ]  - [  -0.0002487200000000,  0.0010687200000000,  0.0000837800000000 ]  - [   0.0002487200000000,  0.0010687200000000,  0.0000837800000000 ]  - [   0.0043228800000000, -0.0000722700000000, -0.0036851800000000 ]  - [   0.0005347900000000,  0.0011836500000000, -0.0002976900000000 ]  - [   0.0001301700000000,  0.0011418000000000, -0.0000802500000000 ]  - [  -0.0001301700000000,  0.0011418000000000, -0.0000802500000000 ]  - [  -0.0005347900000000,  0.0011836500000000, -0.0002976900000000 ]  - [   0.0000000000000000, -0.0033914100000000, -0.0006078300000000 ]  - [   0.0016918600000000, -0.0022587200000000,  0.0005346300000000 ]  - [   0.0000000000000000, -0.0010892100000000,  0.0000838800000000 ]  - [  -0.0016918600000000, -0.0022587200000000,  0.0005346300000000 ]  - [   0.0000000000000000, -0.0010577300000000, -0.0001862800000000 ]  - [  -0.0001238900000000, -0.0010749900000000, -0.0001664300000000 ]  - [   0.0000000000000000, -0.0010833400000000, -0.0000608300000000 ]  - [   0.0001238900000000, -0.0010749900000000, -0.0001664300000000 ]  - [   0.0000000000000000, -0.0035555600000000, -0.0168820200000000 ]  - [   0.0005994900000000, -0.0012638200000000,  0.0003695900000000 ]  - [   0.0000000000000000, -0.0014550100000000,  0.0005572400000000 ]  - [  -0.0005994900000000, -0.0012638200000000,  0.0003695900000000 ]  - [   0.0000000000000000, -0.0017655500000000, -0.0007259000000000 ]  - [  -0.0002285700000000, -0.0013588000000000,  0.0001466800000000 ]  - [   0.0000000000000000, -0.0014656700000000,  0.0004510900000000 ]  - [   0.0002285700000000, -0.0013588000000000,  0.0001466800000000 ]  - [  -0.0011955500000000,  0.0018529800000000, -0.0008917000000000 ]  - [  -0.0001888800000000,  0.0015065700000000, -0.0006169400000000 ]  - [   0.0001888800000000,  0.0015065700000000, -0.0006169400000000 ]  - [   0.0011955500000000,  0.0018529800000000, -0.0008917000000000 ]  - [   0.0001392000000000,  0.0015353400000000, -0.0008867600000000 ]  - [   0.0001399500000000,  0.0014558200000000, -0.0006154800000000 ]  - [  -0.0001399500000000,  0.0014558200000000, -0.0006154800000000 ]  - [  -0.0001392000000000,  0.0015353400000000, -0.0008867600000000 ]  - [  -0.0000179200000000, -0.0014834900000000, -0.0003254900000000 ]  - [   0.0000040200000000, -0.0014902300000000, -0.0003996700000000 ]  - [  -0.0000040200000000, -0.0014902300000000, -0.0003996700000000 ]  - [   0.0000179200000000, -0.0014834900000000, -0.0003254900000000 ]  - [  -0.0000027600000000, -0.0014735700000000, -0.0006897400000000 ]  - [  -0.0000027000000000, -0.0014685800000000, -0.0006525500000000 ]  - [   0.0000027000000000, -0.0014685800000000, -0.0006525500000000 ]  - [   0.0000027600000000, -0.0014735700000000, -0.0006897400000000 ]  - [   0.0000000000000000,  0.0012415400000000,  0.0005978800000000 ]  - [  -0.0000482300000000,  0.0014408500000000,  0.0006879700000000 ]  - [   0.0000000000000000,  0.0014630600000000,  0.0006673400000000 ]  - [   0.0000482300000000,  0.0014408500000000,  0.0006879700000000 ]  - [   0.0000000000000000,  0.0014708300000000,  0.0004071400000000 ]  - [   0.0000141100000000,  0.0014672100000000,  0.0004285500000000 ]  - [   0.0000000000000000,  0.0014619900000000,  0.0004491000000000 ]  - [  -0.0000141100000000,  0.0014672100000000,  0.0004285500000000 ]  - [   0.0000000000000000,  0.0011823700000000,  0.0000208500000000 ]  - [  -0.0000768800000000,  0.0012177500000000,  0.0000267500000000 ]  - [   0.0000000000000000,  0.0011114900000000,  0.0000228700000000 ]  - [   0.0000768800000000,  0.0012177500000000,  0.0000267500000000 ]  - [   0.0000000000000000,  0.0010390400000000, -0.0000290500000000 ]  - [   0.0000280200000000,  0.0010587700000000, -0.0000224500000000 ]  - [   0.0000000000000000,  0.0010851000000000, -0.0000204700000000 ]  - [  -0.0000280200000000,  0.0010587700000000, -0.0000224500000000 ]  - [   0.0001264800000000, -0.0007720900000000, -0.0000436200000000 ]  - [   0.0000067100000000, -0.0010987700000000,  0.0000307900000000 ]  - [  -0.0000067100000000, -0.0010987700000000,  0.0000307900000000 ]  - [  -0.0001264800000000, -0.0007720900000000, -0.0000436200000000 ]  - [  -0.0000201300000000, -0.0011644900000000, -0.0000420200000000 ]  - [  -0.0000185900000000, -0.0011257700000000, -0.0000317100000000 ]  - [   0.0000185900000000, -0.0011257700000000, -0.0000317100000000 ]  - [   0.0000201300000000, -0.0011644900000000, -0.0000420200000000 ]  - [   0.0000298900000000, -0.0015114300000000,  0.0005984000000000 ]  - [   0.0000275400000000, -0.0014892200000000,  0.0005751400000000 ]  - [  -0.0000275400000000, -0.0014892200000000,  0.0005751400000000 ]  - [  -0.0000298900000000, -0.0015114300000000,  0.0005984000000000 ]  - [  -0.0000235200000000, -0.0014533700000000,  0.0004401300000000 ]  - [  -0.0000310600000000, -0.0014605100000000,  0.0004806800000000 ]  - [   0.0000310600000000, -0.0014605100000000,  0.0004806800000000 ]  - [   0.0000235200000000, -0.0014533700000000,  0.0004401300000000 ]  - [   0.0000000000000000,  0.0014159400000000, -0.0005722200000000 ]  - [  -0.0000545100000000,  0.0014394800000000, -0.0005560600000000 ]  - [   0.0000000000000000,  0.0014652400000000, -0.0005557700000000 ]  - [   0.0000545100000000,  0.0014394800000000, -0.0005560600000000 ]  - [   0.0000000000000000,  0.0014899000000000, -0.0005703300000000 ]  - [   0.0000293700000000,  0.0014690300000000, -0.0005546700000000 ]  - [   0.0000000000000000,  0.0014611100000000, -0.0005549700000000 ]  - [  -0.0000293700000000,  0.0014690300000000, -0.0005546700000000 ]  - [   0.0042110600000000, -0.0007997100000000, -0.0111893600000000 ]  - [  -0.0006098500000000,  0.0036113300000000, -0.0006180600000000 ]  - [   0.0006098500000000,  0.0036113300000000, -0.0006180600000000 ]  - [  -0.0042110600000000, -0.0007997100000000, -0.0111893600000000 ]  - [   0.0002491400000000,  0.0038705100000000,  0.0012742900000000 ]  - [   0.0001982700000000,  0.0039639300000000,  0.0004850700000000 ]  - [  -0.0001982700000000,  0.0039639300000000,  0.0004850700000000 ]  - [  -0.0002491400000000,  0.0038705100000000,  0.0012742900000000 ]  - [   0.0000000000000000, -0.0008065700000000, -0.0056982300000000 ]  - [   0.0019267600000000, -0.0042391800000000, -0.0003602500000000 ]  - [   0.0000000000000000, -0.0040596400000000, -0.0002645200000000 ]  - [  -0.0019267600000000, -0.0042391800000000, -0.0003602500000000 ]  - [   0.0000000000000000, -0.0031054500000000,  0.0025222900000000 ]  - [  -0.0006381600000000, -0.0038917900000000,  0.0006437900000000 ]  - [   0.0000000000000000, -0.0039715900000000,  0.0003109000000000 ]  - [   0.0006381600000000, -0.0038917900000000,  0.0006437900000000 ]  - [   0.0000000000000000,  0.0041153200000000, -0.0005279100000000 ]  - [  -0.0000726700000000,  0.0040773900000000, -0.0003306700000000 ]  - [   0.0000000000000000,  0.0040202800000000, -0.0002027200000000 ]  - [   0.0000726700000000,  0.0040773900000000, -0.0003306700000000 ]  - [   0.0000000000000000,  0.0040230600000000,  0.0003935600000000 ]  - [   0.0000803300000000,  0.0040041800000000,  0.0003073300000000 ]  - [   0.0000000000000000,  0.0039861200000000,  0.0002076000000000 ]  - [  -0.0000803300000000,  0.0040041800000000,  0.0003073300000000 ]  - [   0.0001990300000000, -0.0038797900000000, -0.0001555000000000 ]  - [   0.0001957300000000, -0.0039892200000000, -0.0001742500000000 ]  - [  -0.0001957300000000, -0.0039892200000000, -0.0001742500000000 ]  - [  -0.0001990300000000, -0.0038797900000000, -0.0001555000000000 ]  - [  -0.0000826100000000, -0.0039951000000000,  0.0002520500000000 ]  - [  -0.0000688200000000, -0.0039733500000000,  0.0001705700000000 ]  - [   0.0000688200000000, -0.0039733500000000,  0.0001705700000000 ]  - [   0.0000826100000000, -0.0039951000000000,  0.0002520500000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0019626800000000,  0.0003531300000000,  0.0038020700000000 ]  - [   0.0019771700000000, -0.0033034700000000, -0.0049286400000000 ]  - [   0.0004382900000000, -0.0014934200000000, -0.0007928300000000 ]  - [   0.0004385000000000, -0.0014414600000000, -0.0002941700000000 ]  - [  -0.0002323800000000, -0.0013727600000000, -0.0010740000000000 ]  - [  -0.0002331400000000, -0.0015620000000000, -0.0000094300000000 ]  - [   0.0002176200000000, -0.0014465100000000, -0.0004120500000000 ]  - [   0.0002178100000000, -0.0014884200000000, -0.0006724400000000 ]  - [  -0.0023868900000000,  0.0014706200000000,  0.0005436400000000 ]  - [   0.0017681800000000,  0.0010671200000000, -0.0011528900000000 ]  - [   0.0006837300000000,  0.0014619300000000,  0.0005410400000000 ]  - [   0.0017601100000000,  0.0018573900000000,  0.0022273800000000 ]  - [  -0.0001908100000000,  0.0014621200000000,  0.0005417100000000 ]  - [   0.0000159800000000,  0.0014452200000000,  0.0006668200000000 ]  - [   0.0001580200000000,  0.0014621900000000,  0.0005421000000000 ]  - [   0.0000162700000000,  0.0014788800000000,  0.0004170200000000 ]  - [  -0.0442382900000000,  0.0017083300000000,  0.0000000000000000 ]  - [   0.0033861300000000,  0.0009817100000000,  0.0000000000000000 ]  - [   0.0009583600000000,  0.0011120100000000,  0.0000000000000000 ]  - [   0.0033257600000000,  0.0012359000000000,  0.0000000000000000 ]  - [  -0.0003271000000000,  0.0011120900000000,  0.0000000000000000 ]  - [   0.0000596700000000,  0.0011131600000000,  0.0000000000000000 ]  - [   0.0001969000000000,  0.0011121100000000,  0.0000000000000000 ]  - [   0.0000598300000000,  0.0011109900000000,  0.0000000000000000 ]  - [  -0.0004372500000000, -0.0009914400000000,  0.0000758600000000 ]  - [  -0.0004388200000000, -0.0012208800000000, -0.0000755900000000 ]  - [   0.0005540500000000, -0.0012002700000000, -0.0001468100000000 ]  - [   0.0005539400000000, -0.0010126200000000,  0.0001460300000000 ]  - [  -0.0004372500000000, -0.0009914400000000, -0.0000758600000000 ]  - [  -0.0004388200000000, -0.0012208800000000,  0.0000755900000000 ]  - [   0.0005540500000000, -0.0012002700000000,  0.0001468100000000 ]  - [   0.0005539400000000, -0.0010126200000000, -0.0001460300000000 ]  - [  -0.0002323800000000, -0.0013727600000000,  0.0010740000000000 ]  - [  -0.0002331400000000, -0.0015620000000000,  0.0000094300000000 ]  - [   0.0002176200000000, -0.0014465100000000,  0.0004120500000000 ]  - [   0.0002178100000000, -0.0014884200000000,  0.0006724400000000 ]  - [   0.0019626800000000,  0.0003531300000000, -0.0038020700000000 ]  - [   0.0019771700000000, -0.0033034700000000,  0.0049286400000000 ]  - [   0.0004382900000000, -0.0014934200000000,  0.0007928300000000 ]  - [   0.0004385000000000, -0.0014414600000000,  0.0002941700000000 ]  - [  -0.0023868900000000,  0.0014706200000000, -0.0005436400000000 ]  - [   0.0017681800000000,  0.0010671200000000,  0.0011528900000000 ]  - [   0.0006837300000000,  0.0014619300000000, -0.0005410400000000 ]  - [   0.0017601100000000,  0.0018573900000000, -0.0022273800000000 ]  - [  -0.0001908100000000,  0.0014621200000000, -0.0005417100000000 ]  - [   0.0000159800000000,  0.0014452200000000, -0.0006668200000000 ]  - [   0.0001580200000000,  0.0014621900000000, -0.0005421000000000 ]  - [   0.0000162700000000,  0.0014788800000000, -0.0004170200000000 ]  - [  -0.0001452700000000, -0.0014620300000000, -0.0005413100000000 ]  - [   0.0000251200000000, -0.0014581000000000, -0.0006184800000000 ]  - [   0.0001368200000000, -0.0014618300000000, -0.0005420200000000 ]  - [   0.0000264800000000, -0.0014659600000000, -0.0004648600000000 ]  - [  -0.0000902500000000, -0.0014619100000000, -0.0005423500000000 ]  - [   0.0000020500000000, -0.0014646200000000, -0.0005140600000000 ]  - [   0.0000836800000000, -0.0014618800000000, -0.0005419300000000 ]  - [   0.0000026200000000, -0.0014590500000000, -0.0005703700000000 ]  - [   0.0000552400000000,  0.0011598500000000,  0.0006687400000000 ]  - [   0.0000550800000000,  0.0017776800000000,  0.0004146100000000 ]  - [   0.0001194400000000,  0.0015068700000000,  0.0005354100000000 ]  - [   0.0001203800000000,  0.0014292100000000,  0.0005498600000000 ]  - [  -0.0000449500000000,  0.0014622600000000,  0.0005221400000000 ]  - [  -0.0000451300000000,  0.0014733800000000,  0.0005625000000000 ]  - [   0.0000448800000000,  0.0014754700000000,  0.0005612100000000 ]  - [   0.0000450900000000,  0.0014602000000000,  0.0005240000000000 ]  - [  -0.0001441000000000,  0.0011757900000000,  0.0000000000000000 ]  - [  -0.0001453400000000,  0.0010355100000000,  0.0000000000000000 ]  - [   0.0001417900000000,  0.0010099800000000,  0.0000000000000000 ]  - [   0.0001430000000000,  0.0012019800000000,  0.0000000000000000 ]  - [  -0.0000531500000000,  0.0011228500000000,  0.0000000000000000 ]  - [  -0.0000533300000000,  0.0010899900000000,  0.0000000000000000 ]  - [   0.0000520700000000,  0.0010867100000000,  0.0000000000000000 ]  - [   0.0000522800000000,  0.0011260500000000,  0.0000000000000000 ]  - [  -0.0001605700000000, -0.0011122300000000,  0.0000001900000000 ]  - [   0.0000116300000000, -0.0010098700000000, -0.0000095100000000 ]  - [   0.0001299100000000, -0.0011113600000000,  0.0000000000000000 ]  - [   0.0000127700000000, -0.0012132800000000,  0.0000097800000000 ]  - [  -0.0001605700000000, -0.0011122300000000, -0.0000001900000000 ]  - [   0.0000116300000000, -0.0010098700000000,  0.0000095100000000 ]  - [   0.0001299100000000, -0.0011113600000000,  0.0000000000000000 ]  - [   0.0000127700000000, -0.0012132800000000, -0.0000097800000000 ]  - [  -0.0000902500000000, -0.0014619100000000,  0.0005423500000000 ]  - [   0.0000020500000000, -0.0014646200000000,  0.0005140600000000 ]  - [   0.0000836800000000, -0.0014618800000000,  0.0005419300000000 ]  - [   0.0000026200000000, -0.0014590500000000,  0.0005703700000000 ]  - [  -0.0001452700000000, -0.0014620300000000,  0.0005413100000000 ]  - [   0.0000251200000000, -0.0014581000000000,  0.0006184800000000 ]  - [   0.0001368200000000, -0.0014618300000000,  0.0005420200000000 ]  - [   0.0000264800000000, -0.0014659600000000,  0.0004648600000000 ]  - [   0.0000552400000000,  0.0011598500000000, -0.0006687400000000 ]  - [   0.0000550800000000,  0.0017776800000000, -0.0004146100000000 ]  - [   0.0001194400000000,  0.0015068700000000, -0.0005354100000000 ]  - [   0.0001203800000000,  0.0014292100000000, -0.0005498600000000 ]  - [  -0.0000449500000000,  0.0014622600000000, -0.0005221400000000 ]  - [  -0.0000451300000000,  0.0014733800000000, -0.0005625000000000 ]  - [   0.0000448800000000,  0.0014754700000000, -0.0005612100000000 ]  - [   0.0000450900000000,  0.0014602000000000, -0.0005240000000000 ]  - [   0.0024085300000000,  0.0039847700000000, -0.0000033700000000 ]  - [  -0.0006903100000000,  0.0044108400000000,  0.0011242400000000 ]  - [  -0.0011776500000000,  0.0039856100000000,  0.0000012000000000 ]  - [  -0.0006946500000000,  0.0035581100000000, -0.0011222200000000 ]  - [   0.0024085300000000,  0.0039847700000000,  0.0000033700000000 ]  - [  -0.0006903100000000,  0.0044108400000000, -0.0011242400000000 ]  - [  -0.0011776500000000,  0.0039856100000000, -0.0000012000000000 ]  - [  -0.0006946500000000,  0.0035581100000000,  0.0011222200000000 ]  - [   0.0138119800000000,  0.0088314300000000,  0.0000000000000000 ]  - [   0.0142610100000000, -0.0174079400000000,  0.0000000000000000 ]  - [  -0.0027969000000000, -0.0036287000000000,  0.0000000000000000 ]  - [  -0.0027895600000000, -0.0043330800000000,  0.0000000000000000 ]  - [   0.0003380400000000, -0.0040895200000000,  0.0000000000000000 ]  - [   0.0003386200000000, -0.0038773400000000,  0.0000000000000000 ]  - [  -0.0003523800000000, -0.0039660100000000,  0.0000000000000000 ]  - [  -0.0003531000000000, -0.0040005400000000,  0.0000000000000000 ]  - [   0.0003019100000000,  0.0040305800000000, -0.0001638200000000 ]  - [   0.0003046200000000,  0.0039386200000000,  0.0001602200000000 ]  - [  -0.0002964400000000,  0.0039622400000000,  0.0001018300000000 ]  - [  -0.0002981300000000,  0.0040052900000000, -0.0001018100000000 ]  - [   0.0003019100000000,  0.0040305800000000,  0.0001638200000000 ]  - [   0.0003046200000000,  0.0039386200000000, -0.0001602200000000 ]  - [  -0.0002964400000000,  0.0039622400000000, -0.0001018300000000 ]  - [  -0.0002981300000000,  0.0040052900000000,  0.0001018100000000 ]  - [   0.0008051200000000, -0.0039784700000000,  0.0000000000000000 ]  - [  -0.0000973800000000, -0.0041418900000000,  0.0000000000000000 ]  - [  -0.0006469500000000, -0.0039851200000000,  0.0000000000000000 ]  - [  -0.0001048500000000, -0.0038258300000000,  0.0000000000000000 ]  - [   0.0002100800000000, -0.0039851500000000,  0.0000000000000000 ]  - [  -0.0000030000000000, -0.0039815500000000,  0.0000000000000000 ]  - [  -0.0002030400000000, -0.0039851000000000,  0.0000000000000000 ]  - [  -0.0000040700000000, -0.0039887200000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0006886600000000, -0.0019410300000000,  0.0006646900000000 ]  - [  -0.0006886600000000, -0.0019410300000000,  0.0006646900000000 ]  - [  -0.0000423100000000, -0.0015457900000000, -0.0004992300000000 ]  - [   0.0000423100000000, -0.0015457900000000, -0.0004992300000000 ]  - [   0.0000216100000000, -0.0014990900000000, -0.0006154400000000 ]  - [  -0.0000216100000000, -0.0014990900000000, -0.0006154400000000 ]  - [  -0.0000086600000000, -0.0014864900000000, -0.0005725100000000 ]  - [   0.0000086600000000, -0.0014864900000000, -0.0005725100000000 ]  - [   0.0000000000000000,  0.0050888600000000,  0.0028125000000000 ]  - [  -0.0011316100000000,  0.0017246900000000,  0.0016897200000000 ]  - [   0.0000000000000000,  0.0014342100000000,  0.0005251400000000 ]  - [   0.0011316100000000,  0.0017246900000000,  0.0016897200000000 ]  - [   0.0000000000000000,  0.0014532700000000,  0.0004922700000000 ]  - [  -0.0000114000000000,  0.0014444900000000,  0.0005096600000000 ]  - [   0.0000000000000000,  0.0014448800000000,  0.0005182500000000 ]  - [   0.0000114000000000,  0.0014444900000000,  0.0005096600000000 ]  - [   0.0000000000000000, -0.0547225400000000,  0.0000000000000000 ]  - [   0.0001234000000000, -0.0001317800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009245100000000,  0.0000000000000000 ]  - [  -0.0001234000000000, -0.0001317800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010414300000000,  0.0000000000000000 ]  - [  -0.0000013800000000,  0.0010671600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010761000000000,  0.0000000000000000 ]  - [   0.0000013800000000,  0.0010671600000000,  0.0000000000000000 ]  - [   0.0001148900000000, -0.0012008500000000,  0.0001149600000000 ]  - [  -0.0001148900000000, -0.0012008500000000,  0.0001149600000000 ]  - [  -0.0000946600000000, -0.0011142300000000,  0.0001263400000000 ]  - [   0.0000946600000000, -0.0011142300000000,  0.0001263400000000 ]  - [   0.0001148900000000, -0.0012008500000000, -0.0001149600000000 ]  - [  -0.0001148900000000, -0.0012008500000000, -0.0001149600000000 ]  - [  -0.0000946600000000, -0.0011142300000000, -0.0001263400000000 ]  - [   0.0000946600000000, -0.0011142300000000, -0.0001263400000000 ]  - [   0.0000216100000000, -0.0014990900000000,  0.0006154400000000 ]  - [  -0.0000216100000000, -0.0014990900000000,  0.0006154400000000 ]  - [  -0.0000086600000000, -0.0014864900000000,  0.0005725100000000 ]  - [   0.0000086600000000, -0.0014864900000000,  0.0005725100000000 ]  - [   0.0006886600000000, -0.0019410300000000, -0.0006646900000000 ]  - [  -0.0006886600000000, -0.0019410300000000, -0.0006646900000000 ]  - [  -0.0000423100000000, -0.0015457900000000,  0.0004992300000000 ]  - [   0.0000423100000000, -0.0015457900000000,  0.0004992300000000 ]  - [   0.0000000000000000,  0.0050888600000000, -0.0028125000000000 ]  - [  -0.0011316100000000,  0.0017246900000000, -0.0016897200000000 ]  - [   0.0000000000000000,  0.0014342100000000, -0.0005251400000000 ]  - [   0.0011316100000000,  0.0017246900000000, -0.0016897200000000 ]  - [   0.0000000000000000,  0.0014532700000000, -0.0004922700000000 ]  - [  -0.0000114000000000,  0.0014444900000000, -0.0005096600000000 ]  - [   0.0000000000000000,  0.0014448800000000, -0.0005182500000000 ]  - [   0.0000114000000000,  0.0014444900000000, -0.0005096600000000 ]  - [   0.0000000000000000, -0.0013318400000000, -0.0006193200000000 ]  - [   0.0001819300000000, -0.0013196200000000, -0.0006545700000000 ]  - [   0.0000000000000000, -0.0014443300000000, -0.0005471600000000 ]  - [  -0.0001819300000000, -0.0013196200000000, -0.0006545700000000 ]  - [   0.0000000000000000, -0.0014083800000000, -0.0004737500000000 ]  - [   0.0000464400000000, -0.0014380900000000, -0.0004936700000000 ]  - [   0.0000000000000000, -0.0014459300000000, -0.0005200500000000 ]  - [  -0.0000464400000000, -0.0014380900000000, -0.0004936700000000 ]  - [  -0.0005506100000000,  0.0022700400000000,  0.0001938600000000 ]  - [   0.0005506100000000,  0.0022700400000000,  0.0001938600000000 ]  - [   0.0000736100000000,  0.0014693800000000,  0.0005289700000000 ]  - [  -0.0000736100000000,  0.0014693800000000,  0.0005289700000000 ]  - [  -0.0000210800000000,  0.0014777700000000,  0.0005958200000000 ]  - [   0.0000210800000000,  0.0014777700000000,  0.0005958200000000 ]  - [   0.0000160700000000,  0.0014719600000000,  0.0005567300000000 ]  - [  -0.0000160700000000,  0.0014719600000000,  0.0005567300000000 ]  - [  -0.0000708300000000,  0.0015607300000000,  0.0000000000000000 ]  - [   0.0000708300000000,  0.0015607300000000,  0.0000000000000000 ]  - [   0.0000969200000000,  0.0012625300000000,  0.0000000000000000 ]  - [  -0.0000969200000000,  0.0012625300000000,  0.0000000000000000 ]  - [  -0.0000165900000000,  0.0011484600000000,  0.0000000000000000 ]  - [   0.0000165900000000,  0.0011484600000000,  0.0000000000000000 ]  - [   0.0000198900000000,  0.0011404800000000,  0.0000000000000000 ]  - [  -0.0000198900000000,  0.0011404800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010060600000000, -0.0000331400000000 ]  - [   0.0001023900000000, -0.0011258900000000, -0.0000369200000000 ]  - [   0.0000000000000000, -0.0011432300000000, -0.0000112100000000 ]  - [  -0.0001023900000000, -0.0011258900000000, -0.0000369200000000 ]  - [   0.0000000000000000, -0.0010060600000000,  0.0000331400000000 ]  - [   0.0001023900000000, -0.0011258900000000,  0.0000369200000000 ]  - [   0.0000000000000000, -0.0011432300000000,  0.0000112100000000 ]  - [  -0.0001023900000000, -0.0011258900000000,  0.0000369200000000 ]  - [   0.0000000000000000, -0.0014083800000000,  0.0004737500000000 ]  - [   0.0000464400000000, -0.0014380900000000,  0.0004936700000000 ]  - [   0.0000000000000000, -0.0014459300000000,  0.0005200500000000 ]  - [  -0.0000464400000000, -0.0014380900000000,  0.0004936700000000 ]  - [   0.0000000000000000, -0.0013318400000000,  0.0006193200000000 ]  - [   0.0001819300000000, -0.0013196200000000,  0.0006545700000000 ]  - [   0.0000000000000000, -0.0014443300000000,  0.0005471600000000 ]  - [  -0.0001819300000000, -0.0013196200000000,  0.0006545700000000 ]  - [  -0.0005506100000000,  0.0022700400000000, -0.0001938600000000 ]  - [   0.0005506100000000,  0.0022700400000000, -0.0001938600000000 ]  - [   0.0000736100000000,  0.0014693800000000, -0.0005289700000000 ]  - [  -0.0000736100000000,  0.0014693800000000, -0.0005289700000000 ]  - [  -0.0000210800000000,  0.0014777700000000, -0.0005958200000000 ]  - [   0.0000210800000000,  0.0014777700000000, -0.0005958200000000 ]  - [   0.0000160700000000,  0.0014719600000000, -0.0005567300000000 ]  - [  -0.0000160700000000,  0.0014719600000000, -0.0005567300000000 ]  - [   0.0000000000000000,  0.0047012800000000, -0.0006998400000000 ]  - [  -0.0000746900000000,  0.0043343100000000, -0.0003435600000000 ]  - [   0.0000000000000000,  0.0040836300000000, -0.0000809900000000 ]  - [   0.0000746900000000,  0.0043343100000000, -0.0003435600000000 ]  - [   0.0000000000000000,  0.0047012800000000,  0.0006998400000000 ]  - [  -0.0000746900000000,  0.0043343100000000,  0.0003435600000000 ]  - [   0.0000000000000000,  0.0040836300000000,  0.0000809900000000 ]  - [   0.0000746900000000,  0.0043343100000000,  0.0003435600000000 ]  - [   0.0150647600000000,  0.0198820600000000,  0.0000000000000000 ]  - [  -0.0150647600000000,  0.0198820600000000,  0.0000000000000000 ]  - [   0.0003587400000000, -0.0032483600000000,  0.0000000000000000 ]  - [  -0.0003587400000000, -0.0032483600000000,  0.0000000000000000 ]  - [  -0.0000083000000000, -0.0039109300000000,  0.0000000000000000 ]  - [   0.0000083000000000, -0.0039109300000000,  0.0000000000000000 ]  - [   0.0000022900000000, -0.0039406200000000,  0.0000000000000000 ]  - [  -0.0000022900000000, -0.0039406200000000,  0.0000000000000000 ]  - [   0.0001180600000000,  0.0037155700000000,  0.0004858300000000 ]  - [  -0.0001180600000000,  0.0037155700000000,  0.0004858300000000 ]  - [  -0.0001374600000000,  0.0039530200000000,  0.0000788100000000 ]  - [   0.0001374600000000,  0.0039530200000000,  0.0000788100000000 ]  - [   0.0001180600000000,  0.0037155700000000, -0.0004858300000000 ]  - [  -0.0001180600000000,  0.0037155700000000, -0.0004858300000000 ]  - [  -0.0001374600000000,  0.0039530200000000, -0.0000788100000000 ]  - [   0.0001374600000000,  0.0039530200000000, -0.0000788100000000 ]  - [   0.0000000000000000, -0.0062574700000000,  0.0000000000000000 ]  - [  -0.0006993400000000, -0.0045816800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0040788700000000,  0.0000000000000000 ]  - [   0.0006993400000000, -0.0045816800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0040388200000000,  0.0000000000000000 ]  - [  -0.0000680400000000, -0.0040232200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0040071800000000,  0.0000000000000000 ]  - [   0.0000680400000000, -0.0040232200000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006732100000000, -0.0009771300000000, -0.0017292300000000 ]  - [   0.0006732100000000, -0.0009771300000000, -0.0017292300000000 ]  - [   0.0000413000000000, -0.0013899500000000, -0.0005859100000000 ]  - [  -0.0000413000000000, -0.0013899500000000, -0.0005859100000000 ]  - [  -0.0000214100000000, -0.0014362500000000, -0.0004732900000000 ]  - [   0.0000214100000000, -0.0014362500000000, -0.0004732900000000 ]  - [   0.0000080200000000, -0.0014495300000000, -0.0005131100000000 ]  - [  -0.0000080200000000, -0.0014495300000000, -0.0005131100000000 ]  - [   0.0000000000000000, -0.0022371500000000, -0.0017655400000000 ]  - [   0.0011317300000000,  0.0011961000000000, -0.0006093000000000 ]  - [   0.0000000000000000,  0.0014895300000000,  0.0005590600000000 ]  - [  -0.0011317300000000,  0.0011961000000000, -0.0006093000000000 ]  - [   0.0000000000000000,  0.0014705500000000,  0.0005909800000000 ]  - [   0.0000110000000000,  0.0014793200000000,  0.0005736600000000 ]  - [   0.0000000000000000,  0.0014788100000000,  0.0005654000000000 ]  - [  -0.0000110000000000,  0.0014793200000000,  0.0005736600000000 ]  - [   0.0000000000000000,  0.0581204400000000,  0.0000000000000000 ]  - [  -0.0001306000000000,  0.0023529900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0012988900000000,  0.0000000000000000 ]  - [   0.0001306000000000,  0.0023529900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011811200000000,  0.0000000000000000 ]  - [   0.0000005900000000,  0.0011555900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011469000000000,  0.0000000000000000 ]  - [  -0.0000005900000000,  0.0011555900000000,  0.0000000000000000 ]  - [  -0.0001143900000000, -0.0010095500000000, -0.0001143500000000 ]  - [   0.0001143900000000, -0.0010095500000000, -0.0001143500000000 ]  - [   0.0000931300000000, -0.0010973800000000, -0.0001265400000000 ]  - [  -0.0000931300000000, -0.0010973800000000, -0.0001265400000000 ]  - [  -0.0001143900000000, -0.0010095500000000,  0.0001143500000000 ]  - [   0.0001143900000000, -0.0010095500000000,  0.0001143500000000 ]  - [   0.0000931300000000, -0.0010973800000000,  0.0001265400000000 ]  - [  -0.0000931300000000, -0.0010973800000000,  0.0001265400000000 ]  - [  -0.0000214100000000, -0.0014362500000000,  0.0004732900000000 ]  - [   0.0000214100000000, -0.0014362500000000,  0.0004732900000000 ]  - [   0.0000080200000000, -0.0014495300000000,  0.0005131100000000 ]  - [  -0.0000080200000000, -0.0014495300000000,  0.0005131100000000 ]  - [  -0.0006732100000000, -0.0009771300000000,  0.0017292300000000 ]  - [   0.0006732100000000, -0.0009771300000000,  0.0017292300000000 ]  - [   0.0000413000000000, -0.0013899500000000,  0.0005859100000000 ]  - [  -0.0000413000000000, -0.0013899500000000,  0.0005859100000000 ]  - [   0.0000000000000000, -0.0022371500000000,  0.0017655400000000 ]  - [   0.0011317300000000,  0.0011961000000000,  0.0006093000000000 ]  - [   0.0000000000000000,  0.0014895300000000, -0.0005590600000000 ]  - [  -0.0011317300000000,  0.0011961000000000,  0.0006093000000000 ]  - [   0.0000000000000000,  0.0014705500000000, -0.0005909800000000 ]  - [   0.0000110000000000,  0.0014793200000000, -0.0005736600000000 ]  - [   0.0000000000000000,  0.0014788100000000, -0.0005654000000000 ]  - [  -0.0000110000000000,  0.0014793200000000, -0.0005736600000000 ]  - [   0.0000000000000000, -0.0015919400000000, -0.0004669900000000 ]  - [  -0.0001788300000000, -0.0016028100000000, -0.0004320300000000 ]  - [   0.0000000000000000, -0.0014799300000000, -0.0005371400000000 ]  - [   0.0001788300000000, -0.0016028100000000, -0.0004320300000000 ]  - [   0.0000000000000000, -0.0015154900000000, -0.0006088700000000 ]  - [  -0.0000458600000000, -0.0014860000000000, -0.0005893500000000 ]  - [   0.0000000000000000, -0.0014782700000000, -0.0005632100000000 ]  - [   0.0000458600000000, -0.0014860000000000, -0.0005893500000000 ]  - [   0.0005351100000000,  0.0006835200000000,  0.0008791000000000 ]  - [  -0.0005351100000000,  0.0006835200000000,  0.0008791000000000 ]  - [  -0.0000724400000000,  0.0014655400000000,  0.0005554700000000 ]  - [   0.0000724400000000,  0.0014655400000000,  0.0005554700000000 ]  - [   0.0000208000000000,  0.0014572300000000,  0.0004900700000000 ]  - [  -0.0000208000000000,  0.0014572300000000,  0.0004900700000000 ]  - [  -0.0000158200000000,  0.0014631000000000,  0.0005288200000000 ]  - [   0.0000158200000000,  0.0014631000000000,  0.0005288200000000 ]  - [   0.0000693500000000,  0.0006553500000000,  0.0000000000000000 ]  - [  -0.0000693500000000,  0.0006553500000000,  0.0000000000000000 ]  - [  -0.0000952800000000,  0.0009514200000000,  0.0000000000000000 ]  - [   0.0000952800000000,  0.0009514200000000,  0.0000000000000000 ]  - [   0.0000162900000000,  0.0010645700000000,  0.0000000000000000 ]  - [  -0.0000162900000000,  0.0010645700000000,  0.0000000000000000 ]  - [  -0.0000195300000000,  0.0010725300000000,  0.0000000000000000 ]  - [   0.0000195300000000,  0.0010725300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0012189300000000,  0.0000321200000000 ]  - [  -0.0001010000000000, -0.0010994100000000,  0.0000362700000000 ]  - [   0.0000000000000000, -0.0010815700000000,  0.0000109300000000 ]  - [   0.0001010000000000, -0.0010994100000000,  0.0000362700000000 ]  - [   0.0000000000000000, -0.0012189300000000, -0.0000321200000000 ]  - [  -0.0001010000000000, -0.0010994100000000, -0.0000362700000000 ]  - [   0.0000000000000000, -0.0010815700000000, -0.0000109300000000 ]  - [   0.0001010000000000, -0.0010994100000000, -0.0000362700000000 ]  - [   0.0000000000000000, -0.0015154900000000,  0.0006088700000000 ]  - [  -0.0000458600000000, -0.0014860000000000,  0.0005893500000000 ]  - [   0.0000000000000000, -0.0014782700000000,  0.0005632100000000 ]  - [   0.0000458600000000, -0.0014860000000000,  0.0005893500000000 ]  - [   0.0000000000000000, -0.0015919400000000,  0.0004669900000000 ]  - [  -0.0001788300000000, -0.0016028100000000,  0.0004320300000000 ]  - [   0.0000000000000000, -0.0014799300000000,  0.0005371400000000 ]  - [   0.0001788300000000, -0.0016028100000000,  0.0004320300000000 ]  - [   0.0005351100000000,  0.0006835200000000, -0.0008791000000000 ]  - [  -0.0005351100000000,  0.0006835200000000, -0.0008791000000000 ]  - [  -0.0000724400000000,  0.0014655400000000, -0.0005554700000000 ]  - [   0.0000724400000000,  0.0014655400000000, -0.0005554700000000 ]  - [   0.0000208000000000,  0.0014572300000000, -0.0004900700000000 ]  - [  -0.0000208000000000,  0.0014572300000000, -0.0004900700000000 ]  - [  -0.0000158200000000,  0.0014631000000000, -0.0005288200000000 ]  - [   0.0000158200000000,  0.0014631000000000, -0.0005288200000000 ]  - [   0.0000000000000000,  0.0032601600000000,  0.0006927300000000 ]  - [   0.0000820700000000,  0.0036294800000000,  0.0003409900000000 ]  - [   0.0000000000000000,  0.0038861700000000,  0.0000804500000000 ]  - [  -0.0000820700000000,  0.0036294800000000,  0.0003409900000000 ]  - [   0.0000000000000000,  0.0032601600000000, -0.0006927300000000 ]  - [   0.0000820700000000,  0.0036294800000000, -0.0003409900000000 ]  - [   0.0000000000000000,  0.0038861700000000, -0.0000804500000000 ]  - [  -0.0000820700000000,  0.0036294800000000, -0.0003409900000000 ]  - [  -0.0157698500000000, -0.0283743000000000,  0.0000000000000000 ]  - [   0.0157698500000000, -0.0283743000000000,  0.0000000000000000 ]  - [  -0.0003568600000000, -0.0047204700000000,  0.0000000000000000 ]  - [   0.0003568600000000, -0.0047204700000000,  0.0000000000000000 ]  - [   0.0000073900000000, -0.0040572600000000,  0.0000000000000000 ]  - [  -0.0000073900000000, -0.0040572600000000,  0.0000000000000000 ]  - [  -0.0000013200000000, -0.0040264700000000,  0.0000000000000000 ]  - [   0.0000013200000000, -0.0040264700000000,  0.0000000000000000 ]  - [  -0.0001170600000000,  0.0042499300000000, -0.0004767700000000 ]  - [   0.0001170600000000,  0.0042499300000000, -0.0004767700000000 ]  - [   0.0001354400000000,  0.0040139600000000, -0.0000766000000000 ]  - [  -0.0001354400000000,  0.0040139600000000, -0.0000766000000000 ]  - [  -0.0001170600000000,  0.0042499300000000,  0.0004767700000000 ]  - [   0.0001170600000000,  0.0042499300000000,  0.0004767700000000 ]  - [   0.0001354400000000,  0.0040139600000000,  0.0000766000000000 ]  - [  -0.0001354400000000,  0.0040139600000000,  0.0000766000000000 ]  - [   0.0000000000000000, -0.0017470900000000,  0.0000000000000000 ]  - [   0.0006880500000000, -0.0033943800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0038919600000000,  0.0000000000000000 ]  - [  -0.0006880500000000, -0.0033943800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0039324100000000,  0.0000000000000000 ]  - [   0.0000674400000000, -0.0039479100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0039638200000000,  0.0000000000000000 ]  - [  -0.0000674400000000, -0.0039479100000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0032493900000000,  0.0005826300000000,  0.0031466700000000 ]  - [  -0.0032493900000000,  0.0005826300000000,  0.0031466700000000 ]  - [  -0.0000852800000000, -0.0014739200000000, -0.0006261700000000 ]  - [   0.0000852800000000, -0.0014739200000000, -0.0006261700000000 ]  - [  -0.0000096100000000, -0.0014840200000000, -0.0002449400000000 ]  - [   0.0000096100000000, -0.0014840200000000, -0.0002449400000000 ]  - [   0.0000670100000000, -0.0014398000000000, -0.0004619300000000 ]  - [  -0.0000670100000000, -0.0014398000000000, -0.0004619300000000 ]  - [   0.0000000000000000,  0.0035760100000000,  0.0011525800000000 ]  - [   0.0004397000000000,  0.0012040000000000,  0.0000117400000000 ]  - [   0.0000000000000000,  0.0014688400000000,  0.0004585000000000 ]  - [  -0.0004397000000000,  0.0012040000000000,  0.0000117400000000 ]  - [   0.0000000000000000,  0.0014601300000000,  0.0007286300000000 ]  - [   0.0000104600000000,  0.0014626600000000,  0.0007088300000000 ]  - [   0.0000000000000000,  0.0014640000000000,  0.0006026400000000 ]  - [  -0.0000104600000000,  0.0014626600000000,  0.0007088300000000 ]  - [   0.0000000000000000,  0.0010733400000000, -0.0201704900000000 ]  - [  -0.0000021300000000,  0.0011103600000000, -0.0000444800000000 ]  - [   0.0000000000000000,  0.0011122200000000, -0.0000505600000000 ]  - [   0.0000021300000000,  0.0011103600000000, -0.0000444800000000 ]  - [   0.0000000000000000,  0.0011121300000000,  0.0000933300000000 ]  - [  -0.0000000400000000,  0.0011122700000000,  0.0000510900000000 ]  - [   0.0000000000000000,  0.0011123100000000,  0.0000380900000000 ]  - [   0.0000000400000000,  0.0011122700000000,  0.0000510900000000 ]  - [   0.0000762700000000, -0.0009919300000000,  0.0000516300000000 ]  - [  -0.0000762700000000, -0.0009919300000000,  0.0000516300000000 ]  - [  -0.0001459600000000, -0.0009808900000000, -0.0000504000000000 ]  - [   0.0001459600000000, -0.0009808900000000, -0.0000504000000000 ]  - [  -0.0000750800000000, -0.0012212800000000,  0.0000505200000000 ]  - [   0.0000750800000000, -0.0012212800000000,  0.0000505200000000 ]  - [   0.0001469200000000, -0.0012338400000000, -0.0000515300000000 ]  - [  -0.0001469200000000, -0.0012338400000000, -0.0000515300000000 ]  - [   0.0000103500000000, -0.0014509000000000,  0.0008405200000000 ]  - [  -0.0000103500000000, -0.0014509000000000,  0.0008405200000000 ]  - [  -0.0000666100000000, -0.0014947100000000,  0.0006232800000000 ]  - [   0.0000666100000000, -0.0014947100000000,  0.0006232800000000 ]  - [  -0.0033206400000000, -0.0035538600000000,  0.0043034700000000 ]  - [   0.0033206400000000, -0.0035538600000000,  0.0043034700000000 ]  - [   0.0000853600000000, -0.0014607700000000,  0.0004576900000000 ]  - [  -0.0000853600000000, -0.0014607700000000,  0.0004576900000000 ]  - [   0.0000000000000000, -0.0006642900000000,  0.0000677400000000 ]  - [  -0.0004470400000000,  0.0017216900000000, -0.0010786800000000 ]  - [   0.0000000000000000,  0.0014543900000000, -0.0006263500000000 ]  - [   0.0004470400000000,  0.0017216900000000, -0.0010786800000000 ]  - [   0.0000000000000000,  0.0014631700000000, -0.0003548600000000 ]  - [  -0.0000105900000000,  0.0014606800000000, -0.0003751000000000 ]  - [   0.0000000000000000,  0.0014593200000000, -0.0004809200000000 ]  - [   0.0000105900000000,  0.0014606800000000, -0.0003751000000000 ]  - [   0.0000000000000000, -0.0014323100000000, -0.0005631100000000 ]  - [  -0.0000099300000000, -0.0014645200000000, -0.0005691300000000 ]  - [   0.0000000000000000, -0.0014583100000000, -0.0005649400000000 ]  - [   0.0000099300000000, -0.0014645200000000, -0.0005691300000000 ]  - [   0.0000000000000000, -0.0014650600000000, -0.0005123600000000 ]  - [   0.0000082500000000, -0.0014620100000000, -0.0005191200000000 ]  - [   0.0000000000000000, -0.0014629000000000, -0.0005209500000000 ]  - [  -0.0000082500000000, -0.0014620100000000, -0.0005191200000000 ]  - [   0.0001288400000000,  0.0013076800000000,  0.0005851200000000 ]  - [  -0.0001288400000000,  0.0013076800000000,  0.0005851200000000 ]  - [  -0.0000006200000000,  0.0014659200000000,  0.0005116000000000 ]  - [   0.0000006200000000,  0.0014659200000000,  0.0005116000000000 ]  - [  -0.0000027200000000,  0.0014727400000000,  0.0005845600000000 ]  - [   0.0000027200000000,  0.0014727400000000,  0.0005845600000000 ]  - [   0.0000031000000000,  0.0014704400000000,  0.0005743800000000 ]  - [  -0.0000031000000000,  0.0014704400000000,  0.0005743800000000 ]  - [  -0.0000002500000000,  0.0011076400000000, -0.0000080400000000 ]  - [   0.0000002500000000,  0.0011076400000000, -0.0000080400000000 ]  - [   0.0000001000000000,  0.0011071800000000, -0.0000126100000000 ]  - [  -0.0000001000000000,  0.0011071800000000, -0.0000126100000000 ]  - [  -0.0000000700000000,  0.0011068400000000,  0.0000135800000000 ]  - [   0.0000000700000000,  0.0011068400000000,  0.0000135800000000 ]  - [   0.0000000500000000,  0.0011068200000000,  0.0000107500000000 ]  - [  -0.0000000500000000,  0.0011068200000000,  0.0000107500000000 ]  - [   0.0000000000000000, -0.0011453000000000, -0.0000261300000000 ]  - [  -0.0000095100000000, -0.0011487800000000, -0.0000068000000000 ]  - [   0.0000000000000000, -0.0011232100000000, -0.0000004000000000 ]  - [   0.0000095100000000, -0.0011487800000000, -0.0000068000000000 ]  - [   0.0000000000000000, -0.0010803100000000, -0.0000263500000000 ]  - [   0.0000097400000000, -0.0010757900000000, -0.0000067000000000 ]  - [   0.0000000000000000, -0.0011012900000000, -0.0000003900000000 ]  - [  -0.0000097400000000, -0.0010757900000000, -0.0000067000000000 ]  - [   0.0000000000000000, -0.0014580800000000,  0.0005714200000000 ]  - [  -0.0000081600000000, -0.0014610700000000,  0.0005647900000000 ]  - [   0.0000000000000000, -0.0014603700000000,  0.0005627800000000 ]  - [   0.0000081600000000, -0.0014610700000000,  0.0005647900000000 ]  - [   0.0000000000000000, -0.0014904800000000,  0.0005209100000000 ]  - [   0.0000105500000000, -0.0014580900000000,  0.0005149900000000 ]  - [   0.0000000000000000, -0.0014648700000000,  0.0005185900000000 ]  - [  -0.0000105500000000, -0.0014580900000000,  0.0005149900000000 ]  - [  -0.0001317000000000,  0.0016314700000000, -0.0004983900000000 ]  - [   0.0001317000000000,  0.0016314700000000, -0.0004983900000000 ]  - [   0.0000007300000000,  0.0014690600000000, -0.0005735400000000 ]  - [  -0.0000007300000000,  0.0014690600000000, -0.0005735400000000 ]  - [   0.0000026100000000,  0.0014621000000000, -0.0005004800000000 ]  - [  -0.0000026100000000,  0.0014621000000000, -0.0005004800000000 ]  - [  -0.0000030800000000,  0.0014644200000000, -0.0005108200000000 ]  - [   0.0000030800000000,  0.0014644200000000, -0.0005108200000000 ]  - [   0.0000000000000000,  0.0037085000000000, -0.0007173700000000 ]  - [   0.0006847500000000,  0.0035230200000000, -0.0000828800000000 ]  - [   0.0000000000000000,  0.0039908900000000, -0.0000114500000000 ]  - [  -0.0006847500000000,  0.0035230200000000, -0.0000828800000000 ]  - [   0.0000000000000000,  0.0042593300000000, -0.0007078900000000 ]  - [  -0.0006851900000000,  0.0044514000000000, -0.0000779800000000 ]  - [   0.0000000000000000,  0.0039796700000000, -0.0000101500000000 ]  - [   0.0006851900000000,  0.0044514000000000, -0.0000779800000000 ]  - [   0.0000345600000000, -0.0039287100000000,  0.0032719400000000 ]  - [  -0.0000345600000000, -0.0039287100000000,  0.0032719400000000 ]  - [   0.0000019500000000, -0.0039824300000000,  0.0001564800000000 ]  - [  -0.0000019500000000, -0.0039824300000000,  0.0001564800000000 ]  - [  -0.0000000600000000, -0.0039833400000000, -0.0004492200000000 ]  - [   0.0000000600000000, -0.0039833400000000, -0.0004492200000000 ]  - [  -0.0000000700000000, -0.0039833500000000, -0.0002216600000000 ]  - [   0.0000000700000000, -0.0039833500000000, -0.0002216600000000 ]  - [  -0.0000472500000000,  0.0039911300000000,  0.0000058100000000 ]  - [   0.0000472500000000,  0.0039911300000000,  0.0000058100000000 ]  - [   0.0000313500000000,  0.0039938800000000,  0.0000012900000000 ]  - [  -0.0000313500000000,  0.0039938800000000,  0.0000012900000000 ]  - [   0.0000466800000000,  0.0039758000000000,  0.0000041000000000 ]  - [  -0.0000466800000000,  0.0039758000000000,  0.0000041000000000 ]  - [  -0.0000316700000000,  0.0039732000000000,  0.0000013200000000 ]  - [   0.0000316700000000,  0.0039732000000000,  0.0000013200000000 ]  - [   0.0000000000000000, -0.0039907600000000,  0.0000661200000000 ]  - [  -0.0000011000000000, -0.0039861500000000,  0.0000735900000000 ]  - [   0.0000000000000000, -0.0039853700000000,  0.0000850300000000 ]  - [   0.0000011000000000, -0.0039861500000000,  0.0000735900000000 ]  - [   0.0000000000000000, -0.0039853200000000, -0.0001281000000000 ]  - [   0.0000000300000000, -0.0039852700000000, -0.0001039000000000 ]  - [   0.0000000000000000, -0.0039852300000000, -0.0000841600000000 ]  - [  -0.0000000300000000, -0.0039852700000000, -0.0001039000000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0097178700000000, -0.0082522700000000, -0.0044831400000000 ]  - [   0.0100358600000000,  0.0055664200000000,  0.0036768600000000 ]  - [  -0.0019255600000000, -0.0016408100000000, -0.0011556100000000 ]  - [  -0.0019216600000000, -0.0012949200000000,  0.0000673200000000 ]  - [   0.0002819000000000, -0.0013886100000000, -0.0007931600000000 ]  - [   0.0002835300000000, -0.0015446200000000, -0.0002910400000000 ]  - [  -0.0002901600000000, -0.0014128600000000, -0.0003419700000000 ]  - [  -0.0002909900000000, -0.0015212000000000, -0.0007421400000000 ]  - [   0.0045489200000000,  0.0014693400000000,  0.0005583200000000 ]  - [  -0.0011133100000000,  0.0013789400000000, -0.0013938400000000 ]  - [  -0.0010639000000000,  0.0014609100000000,  0.0005400800000000 ]  - [  -0.0011126500000000,  0.0015420600000000,  0.0024682800000000 ]  - [   0.0009104100000000,  0.0014646900000000,  0.0005330600000000 ]  - [  -0.0001752700000000,  0.0014657700000000,  0.0011801700000000 ]  - [  -0.0005723600000000,  0.0014612100000000,  0.0005422100000000 ]  - [  -0.0001771600000000,  0.0014559100000000, -0.0000944200000000 ]  - [   0.0024082900000000,  0.0011150500000000, -0.0000051900000000 ]  - [  -0.0006889600000000,  0.0011908600000000, -0.0006833700000000 ]  - [  -0.0011777000000000,  0.0011123700000000, -0.0000004500000000 ]  - [  -0.0006962500000000,  0.0010341700000000,  0.0006864300000000 ]  - [   0.0024082900000000,  0.0011150500000000,  0.0000051900000000 ]  - [  -0.0006889600000000,  0.0011908600000000,  0.0006833700000000 ]  - [  -0.0011777000000000,  0.0011123700000000,  0.0000004500000000 ]  - [  -0.0006962500000000,  0.0010341700000000, -0.0006864300000000 ]  - [   0.0138177200000000,  0.0140325100000000,  0.0000000000000000 ]  - [   0.0142569600000000, -0.0168011600000000,  0.0000000000000000 ]  - [  -0.0027975400000000, -0.0007492000000000,  0.0000000000000000 ]  - [  -0.0027891700000000, -0.0014643700000000,  0.0000000000000000 ]  - [   0.0003367200000000, -0.0011152000000000,  0.0000000000000000 ]  - [   0.0003400500000000, -0.0010993200000000,  0.0000000000000000 ]  - [  -0.0003519900000000, -0.0011056900000000,  0.0000000000000000 ]  - [  -0.0003526100000000, -0.0011091000000000,  0.0000000000000000 ]  - [   0.0097178700000000, -0.0082522700000000,  0.0044831400000000 ]  - [   0.0100358600000000,  0.0055664200000000, -0.0036768600000000 ]  - [  -0.0019255600000000, -0.0016408100000000,  0.0011556100000000 ]  - [  -0.0019216600000000, -0.0012949200000000, -0.0000673200000000 ]  - [   0.0002819000000000, -0.0013886100000000,  0.0007931600000000 ]  - [   0.0002835300000000, -0.0015446200000000,  0.0002910400000000 ]  - [  -0.0002901600000000, -0.0014128600000000,  0.0003419700000000 ]  - [  -0.0002909900000000, -0.0015212000000000,  0.0007421400000000 ]  - [   0.0009104100000000,  0.0014646900000000, -0.0005330600000000 ]  - [  -0.0001752700000000,  0.0014657700000000, -0.0011801700000000 ]  - [  -0.0005723600000000,  0.0014612100000000, -0.0005422100000000 ]  - [  -0.0001771600000000,  0.0014559100000000,  0.0000944200000000 ]  - [   0.0045489200000000,  0.0014693400000000, -0.0005583200000000 ]  - [  -0.0011133100000000,  0.0013789400000000,  0.0013938400000000 ]  - [  -0.0010639000000000,  0.0014609100000000, -0.0005400800000000 ]  - [  -0.0011126500000000,  0.0015420600000000, -0.0024682800000000 ]  - [   0.0007905500000000, -0.0014590400000000, -0.0005424900000000 ]  - [  -0.0001381400000000, -0.0012030600000000, -0.0006179200000000 ]  - [  -0.0005116700000000, -0.0014610400000000, -0.0005420100000000 ]  - [  -0.0001380900000000, -0.0017186100000000, -0.0004657000000000 ]  - [   0.0001766600000000, -0.0014613000000000, -0.0005414900000000 ]  - [  -0.0000026400000000, -0.0014474300000000, -0.0004607700000000 ]  - [  -0.0001704000000000, -0.0014611400000000, -0.0005413600000000 ]  - [  -0.0000029100000000, -0.0014749300000000, -0.0006222800000000 ]  - [   0.0003391600000000,  0.0016238700000000,  0.0007404300000000 ]  - [   0.0003390000000000,  0.0013095800000000,  0.0003424600000000 ]  - [  -0.0003404300000000,  0.0014618800000000,  0.0003458600000000 ]  - [  -0.0003406900000000,  0.0014722400000000,  0.0007376800000000 ]  - [   0.0001708200000000,  0.0014844300000000,  0.0004595000000000 ]  - [   0.0001710700000000,  0.0014494400000000,  0.0006254900000000 ]  - [  -0.0001708300000000,  0.0014516800000000,  0.0006116900000000 ]  - [  -0.0001710500000000,  0.0014823800000000,  0.0004733800000000 ]  - [   0.0003029600000000,  0.0009890600000000,  0.0000466700000000 ]  - [   0.0003034400000000,  0.0012242400000000, -0.0000473800000000 ]  - [  -0.0002970000000000,  0.0012440400000000, -0.0000316500000000 ]  - [  -0.0002972600000000,  0.0009712000000000,  0.0000312900000000 ]  - [   0.0003029600000000,  0.0009890600000000, -0.0000466700000000 ]  - [   0.0003034400000000,  0.0012242400000000,  0.0000473800000000 ]  - [  -0.0002970000000000,  0.0012440400000000,  0.0000316500000000 ]  - [  -0.0002972600000000,  0.0009712000000000, -0.0000312900000000 ]  - [   0.0008051600000000, -0.0011128900000000,  0.0000000000000000 ]  - [  -0.0001016500000000, -0.0018072600000000,  0.0000000000000000 ]  - [  -0.0006467900000000, -0.0011128400000000,  0.0000000000000000 ]  - [  -0.0001009100000000, -0.0004199400000000,  0.0000000000000000 ]  - [   0.0002101600000000, -0.0011127000000000,  0.0000000000000000 ]  - [  -0.0000030400000000, -0.0011806600000000,  0.0000000000000000 ]  - [  -0.0002030000000000, -0.0011127300000000,  0.0000000000000000 ]  - [  -0.0000033800000000, -0.0010445900000000,  0.0000000000000000 ]  - [   0.0007905500000000, -0.0014590400000000,  0.0005424900000000 ]  - [  -0.0001381400000000, -0.0012030600000000,  0.0006179200000000 ]  - [  -0.0005116700000000, -0.0014610400000000,  0.0005420100000000 ]  - [  -0.0001380900000000, -0.0017186100000000,  0.0004657000000000 ]  - [   0.0001766600000000, -0.0014613000000000,  0.0005414900000000 ]  - [  -0.0000026400000000, -0.0014474300000000,  0.0004607700000000 ]  - [  -0.0001704000000000, -0.0014611400000000,  0.0005413600000000 ]  - [  -0.0000029100000000, -0.0014749300000000,  0.0006222800000000 ]  - [   0.0001708200000000,  0.0014844300000000, -0.0004595000000000 ]  - [   0.0001710700000000,  0.0014494400000000, -0.0006254900000000 ]  - [  -0.0001708300000000,  0.0014516800000000, -0.0006116900000000 ]  - [  -0.0001710500000000,  0.0014823800000000, -0.0004733800000000 ]  - [   0.0003391600000000,  0.0016238700000000, -0.0007404300000000 ]  - [   0.0003390000000000,  0.0013095800000000, -0.0003424600000000 ]  - [  -0.0003404300000000,  0.0014618800000000, -0.0003458600000000 ]  - [  -0.0003406900000000,  0.0014722400000000, -0.0007376800000000 ]  - [  -0.0999992900000000,  0.0040271300000000,  0.0000000000000000 ]  - [   0.0197831400000000,  0.0054088100000000,  0.0000000000000000 ]  - [   0.0050140400000000,  0.0039868500000000,  0.0000000000000000 ]  - [   0.0195456300000000,  0.0025821700000000,  0.0000000000000000 ]  - [  -0.0011818900000000,  0.0039815200000000,  0.0000000000000000 ]  - [   0.0000071400000000,  0.0040481100000000,  0.0000000000000000 ]  - [   0.0011145000000000,  0.0039852000000000,  0.0000000000000000 ]  - [   0.0000111400000000,  0.0039216600000000,  0.0000000000000000 ]  - [  -0.0028428900000000, -0.0022591400000000, -0.0052534000000000 ]  - [  -0.0028667100000000, -0.0057249600000000,  0.0052552300000000 ]  - [   0.0026786400000000, -0.0037796700000000,  0.0011930400000000 ]  - [   0.0026801800000000, -0.0041814700000000, -0.0011862200000000 ]  - [  -0.0028428900000000, -0.0022591400000000,  0.0052534000000000 ]  - [  -0.0028667100000000, -0.0057249600000000, -0.0052552300000000 ]  - [   0.0026786400000000, -0.0037796700000000, -0.0011930400000000 ]  - [   0.0026801800000000, -0.0041814700000000,  0.0011862200000000 ]  - [  -0.0018610800000000,  0.0045918400000000,  0.0000000000000000 ]  - [  -0.0018614600000000,  0.0033716200000000,  0.0000000000000000 ]  - [   0.0018622800000000,  0.0039715200000000,  0.0000000000000000 ]  - [   0.0018620500000000,  0.0039939300000000,  0.0000000000000000 ]  - [  -0.0003786000000000,  0.0039501200000000,  0.0000000000000000 ]  - [  -0.0003793700000000,  0.0040163000000000,  0.0000000000000000 ]  - [   0.0003785600000000,  0.0040083100000000,  0.0000000000000000 ]  - [   0.0003793600000000,  0.0039576300000000,  0.0000000000000000 ]  - [  -0.0013625400000000, -0.0039839900000000,  0.0000019400000000 ]  - [   0.0001148400000000, -0.0040096700000000,  0.0006772600000000 ]  - [   0.0011322400000000, -0.0039850400000000,  0.0000009600000000 ]  - [   0.0001164000000000, -0.0039597200000000, -0.0006748900000000 ]  - [  -0.0013625400000000, -0.0039839900000000, -0.0000019400000000 ]  - [   0.0001148400000000, -0.0040096700000000, -0.0006772600000000 ]  - [   0.0011322400000000, -0.0039850400000000, -0.0000009600000000 ]  - [   0.0001164000000000, -0.0039597200000000,  0.0006748900000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0047990800000000,  0.0077537100000000,  0.0042218300000000 ]  - [   0.0047990800000000,  0.0077537100000000,  0.0042218300000000 ]  - [   0.0000055800000000, -0.0011659400000000, -0.0001715300000000 ]  - [  -0.0000055800000000, -0.0011659400000000, -0.0001715300000000 ]  - [  -0.0000443400000000, -0.0013913300000000, -0.0004271500000000 ]  - [   0.0000443400000000, -0.0013913300000000, -0.0004271500000000 ]  - [  -0.0000259900000000, -0.0014098400000000, -0.0005208300000000 ]  - [   0.0000259900000000, -0.0014098400000000, -0.0005208300000000 ]  - [   0.0000000000000000,  0.0076025800000000, -0.0027054100000000 ]  - [  -0.0001344100000000,  0.0026584700000000,  0.0007957300000000 ]  - [   0.0000000000000000,  0.0015681300000000,  0.0006176800000000 ]  - [   0.0001344100000000,  0.0026584700000000,  0.0007957300000000 ]  - [   0.0000000000000000,  0.0019599000000000, -0.0003348800000000 ]  - [  -0.0000974800000000,  0.0015601500000000,  0.0004513900000000 ]  - [   0.0000000000000000,  0.0014740200000000,  0.0005299900000000 ]  - [   0.0000974800000000,  0.0015601500000000,  0.0004513900000000 ]  - [   0.0000000000000000,  0.0018321800000000, -0.0002748400000000 ]  - [  -0.0004236500000000,  0.0014638300000000, -0.0004623100000000 ]  - [   0.0000000000000000,  0.0012111800000000,  0.0000056500000000 ]  - [   0.0004236500000000,  0.0014638300000000, -0.0004623100000000 ]  - [   0.0000000000000000,  0.0018321800000000,  0.0002748400000000 ]  - [  -0.0004236500000000,  0.0014638300000000,  0.0004623100000000 ]  - [   0.0000000000000000,  0.0012111800000000, -0.0000056500000000 ]  - [   0.0004236500000000,  0.0014638300000000,  0.0004623100000000 ]  - [   0.0128061900000000,  0.0227739600000000,  0.0000000000000000 ]  - [  -0.0128061900000000,  0.0227739600000000,  0.0000000000000000 ]  - [   0.0003516600000000, -0.0003720900000000,  0.0000000000000000 ]  - [  -0.0003516600000000, -0.0003720900000000,  0.0000000000000000 ]  - [  -0.0001072400000000, -0.0010344800000000,  0.0000000000000000 ]  - [   0.0001072400000000, -0.0010344800000000,  0.0000000000000000 ]  - [   0.0000171900000000, -0.0010639100000000,  0.0000000000000000 ]  - [  -0.0000171900000000, -0.0010639100000000,  0.0000000000000000 ]  - [  -0.0047990800000000,  0.0077537100000000, -0.0042218300000000 ]  - [   0.0047990800000000,  0.0077537100000000, -0.0042218300000000 ]  - [   0.0000055800000000, -0.0011659400000000,  0.0001715300000000 ]  - [  -0.0000055800000000, -0.0011659400000000,  0.0001715300000000 ]  - [  -0.0000443400000000, -0.0013913300000000,  0.0004271500000000 ]  - [   0.0000443400000000, -0.0013913300000000,  0.0004271500000000 ]  - [  -0.0000259900000000, -0.0014098400000000,  0.0005208300000000 ]  - [   0.0000259900000000, -0.0014098400000000,  0.0005208300000000 ]  - [   0.0000000000000000,  0.0019599000000000,  0.0003348800000000 ]  - [  -0.0000974800000000,  0.0015601500000000, -0.0004513900000000 ]  - [   0.0000000000000000,  0.0014740200000000, -0.0005299900000000 ]  - [   0.0000974800000000,  0.0015601500000000, -0.0004513900000000 ]  - [   0.0000000000000000,  0.0076025800000000,  0.0027054100000000 ]  - [  -0.0001344100000000,  0.0026584700000000, -0.0007957300000000 ]  - [   0.0000000000000000,  0.0015681300000000, -0.0006176800000000 ]  - [   0.0001344100000000,  0.0026584700000000, -0.0007957300000000 ]  - [   0.0000000000000000, -0.0022286200000000, -0.0006711300000000 ]  - [   0.0000046400000000, -0.0017678100000000, -0.0006344200000000 ]  - [   0.0000000000000000, -0.0015053300000000, -0.0005783700000000 ]  - [  -0.0000046400000000, -0.0017678100000000, -0.0006344200000000 ]  - [   0.0000000000000000, -0.0015055200000000, -0.0005814200000000 ]  - [   0.0000127000000000, -0.0014890600000000, -0.0005622300000000 ]  - [   0.0000000000000000, -0.0014721400000000, -0.0005441500000000 ]  - [  -0.0000127000000000, -0.0014890600000000, -0.0005622300000000 ]  - [  -0.0000417500000000,  0.0011790700000000,  0.0004351900000000 ]  - [   0.0000417500000000,  0.0011790700000000,  0.0004351900000000 ]  - [   0.0000426400000000,  0.0013731300000000,  0.0005460400000000 ]  - [  -0.0000426400000000,  0.0013731300000000,  0.0005460400000000 ]  - [  -0.0000201900000000,  0.0013823200000000,  0.0005528000000000 ]  - [   0.0000201900000000,  0.0013823200000000,  0.0005528000000000 ]  - [   0.0000109200000000,  0.0014438300000000,  0.0005310100000000 ]  - [  -0.0000109200000000,  0.0014438300000000,  0.0005310100000000 ]  - [  -0.0000456600000000,  0.0008393900000000,  0.0000071200000000 ]  - [   0.0000456600000000,  0.0008393900000000,  0.0000071200000000 ]  - [   0.0000212700000000,  0.0010765700000000,  0.0000101400000000 ]  - [  -0.0000212700000000,  0.0010765700000000,  0.0000101400000000 ]  - [  -0.0000456600000000,  0.0008393900000000, -0.0000071200000000 ]  - [   0.0000456600000000,  0.0008393900000000, -0.0000071200000000 ]  - [   0.0000212700000000,  0.0010765700000000, -0.0000101400000000 ]  - [  -0.0000212700000000,  0.0010765700000000, -0.0000101400000000 ]  - [   0.0000000000000000, -0.0033854800000000,  0.0000000000000000 ]  - [  -0.0001599500000000, -0.0017050300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0012048600000000,  0.0000000000000000 ]  - [   0.0001599500000000, -0.0017050300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011657500000000,  0.0000000000000000 ]  - [   0.0000031500000000, -0.0011498000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011342200000000,  0.0000000000000000 ]  - [  -0.0000031500000000, -0.0011498000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0022286200000000,  0.0006711300000000 ]  - [   0.0000046400000000, -0.0017678100000000,  0.0006344200000000 ]  - [   0.0000000000000000, -0.0015053300000000,  0.0005783700000000 ]  - [  -0.0000046400000000, -0.0017678100000000,  0.0006344200000000 ]  - [   0.0000000000000000, -0.0015055200000000,  0.0005814200000000 ]  - [   0.0000127000000000, -0.0014890600000000,  0.0005622300000000 ]  - [   0.0000000000000000, -0.0014721400000000,  0.0005441500000000 ]  - [  -0.0000127000000000, -0.0014890600000000,  0.0005622300000000 ]  - [  -0.0000201900000000,  0.0013823200000000, -0.0005528000000000 ]  - [   0.0000201900000000,  0.0013823200000000, -0.0005528000000000 ]  - [   0.0000109200000000,  0.0014438300000000, -0.0005310100000000 ]  - [  -0.0000109200000000,  0.0014438300000000, -0.0005310100000000 ]  - [  -0.0000417500000000,  0.0011790700000000, -0.0004351900000000 ]  - [   0.0000417500000000,  0.0011790700000000, -0.0004351900000000 ]  - [   0.0000426400000000,  0.0013731300000000, -0.0005460400000000 ]  - [  -0.0000426400000000,  0.0013731300000000, -0.0005460400000000 ]  - [   0.0000000000000000, -0.0666841800000000,  0.0000000000000000 ]  - [  -0.0014247300000000, -0.0066514000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0031212700000000,  0.0000000000000000 ]  - [   0.0014247300000000, -0.0066514000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0033013300000000,  0.0000000000000000 ]  - [  -0.0000644400000000,  0.0037987800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0038848600000000,  0.0000000000000000 ]  - [   0.0000644400000000,  0.0037987800000000,  0.0000000000000000 ]  - [   0.0017374000000000, -0.0074439000000000,  0.0019027800000000 ]  - [  -0.0017374000000000, -0.0074439000000000,  0.0019027800000000 ]  - [   0.0002002600000000, -0.0045009600000000, -0.0000894800000000 ]  - [  -0.0002002600000000, -0.0045009600000000, -0.0000894800000000 ]  - [   0.0017374000000000, -0.0074439000000000, -0.0019027800000000 ]  - [  -0.0017374000000000, -0.0074439000000000, -0.0019027800000000 ]  - [   0.0002002600000000, -0.0045009600000000,  0.0000894800000000 ]  - [  -0.0002002600000000, -0.0045009600000000,  0.0000894800000000 ]  - [  -0.0006222200000000,  0.0066711500000000,  0.0000000000000000 ]  - [   0.0006222200000000,  0.0066711500000000,  0.0000000000000000 ]  - [   0.0000125600000000,  0.0045633200000000,  0.0000000000000000 ]  - [  -0.0000125600000000,  0.0045633200000000,  0.0000000000000000 ]  - [   0.0000331500000000,  0.0041119400000000,  0.0000000000000000 ]  - [  -0.0000331500000000,  0.0041119400000000,  0.0000000000000000 ]  - [  -0.0000253900000000,  0.0040327500000000,  0.0000000000000000 ]  - [   0.0000253900000000,  0.0040327500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0032824600000000, -0.0002289100000000 ]  - [  -0.0000240100000000, -0.0036044200000000, -0.0000956400000000 ]  - [   0.0000000000000000, -0.0039100000000000, -0.0000342100000000 ]  - [   0.0000240100000000, -0.0036044200000000, -0.0000956400000000 ]  - [   0.0000000000000000, -0.0032824600000000,  0.0002289100000000 ]  - [  -0.0000240100000000, -0.0036044200000000,  0.0000956400000000 ]  - [   0.0000000000000000, -0.0039100000000000,  0.0000342100000000 ]  - [   0.0000240100000000, -0.0036044200000000,  0.0000956400000000 ]- atom:   97  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0046064500000000, -0.0105896700000000, -0.0051529600000000 ]  - [  -0.0046064500000000, -0.0105896700000000, -0.0051529600000000 ]  - [  -0.0000065300000000, -0.0017701000000000, -0.0009156900000000 ]  - [   0.0000065300000000, -0.0017701000000000, -0.0009156900000000 ]  - [   0.0000433600000000, -0.0015433900000000, -0.0006581700000000 ]  - [  -0.0000433600000000, -0.0015433900000000, -0.0006581700000000 ]  - [   0.0000266500000000, -0.0015251000000000, -0.0005640500000000 ]  - [  -0.0000266500000000, -0.0015251000000000, -0.0005640500000000 ]  - [   0.0000000000000000, -0.0047170000000000,  0.0039007800000000 ]  - [   0.0001296200000000,  0.0002621600000000,  0.0002791300000000 ]  - [   0.0000000000000000,  0.0013546300000000,  0.0004651300000000 ]  - [  -0.0001296200000000,  0.0002621600000000,  0.0002791300000000 ]  - [   0.0000000000000000,  0.0009664200000000,  0.0014100700000000 ]  - [   0.0000987800000000,  0.0013624900000000,  0.0006330100000000 ]  - [   0.0000000000000000,  0.0014492700000000,  0.0005539100000000 ]  - [  -0.0000987800000000,  0.0013624900000000,  0.0006330100000000 ]  - [   0.0000000000000000,  0.0003911700000000,  0.0002759300000000 ]  - [   0.0004291500000000,  0.0007589100000000,  0.0004661400000000 ]  - [   0.0000000000000000,  0.0010128700000000, -0.0000058700000000 ]  - [  -0.0004291500000000,  0.0007589100000000,  0.0004661400000000 ]  - [   0.0000000000000000,  0.0003911700000000, -0.0002759300000000 ]  - [   0.0004291500000000,  0.0007589100000000, -0.0004661400000000 ]  - [   0.0000000000000000,  0.0010128700000000,  0.0000058700000000 ]  - [  -0.0004291500000000,  0.0007589100000000, -0.0004661400000000 ]  - [  -0.0134351200000000, -0.0254816900000000,  0.0000000000000000 ]  - [   0.0134351200000000, -0.0254816900000000,  0.0000000000000000 ]  - [  -0.0003519900000000, -0.0018430100000000,  0.0000000000000000 ]  - [   0.0003519900000000, -0.0018430100000000,  0.0000000000000000 ]  - [   0.0001053700000000, -0.0011795100000000,  0.0000000000000000 ]  - [  -0.0001053700000000, -0.0011795100000000,  0.0000000000000000 ]  - [  -0.0000168800000000, -0.0011499400000000,  0.0000000000000000 ]  - [   0.0000168800000000, -0.0011499400000000,  0.0000000000000000 ]  - [   0.0046064500000000, -0.0105896700000000,  0.0051529600000000 ]  - [  -0.0046064500000000, -0.0105896700000000,  0.0051529600000000 ]  - [  -0.0000065300000000, -0.0017701000000000,  0.0009156900000000 ]  - [   0.0000065300000000, -0.0017701000000000,  0.0009156900000000 ]  - [   0.0000433600000000, -0.0015433900000000,  0.0006581700000000 ]  - [  -0.0000433600000000, -0.0015433900000000,  0.0006581700000000 ]  - [   0.0000266500000000, -0.0015251000000000,  0.0005640500000000 ]  - [  -0.0000266500000000, -0.0015251000000000,  0.0005640500000000 ]  - [   0.0000000000000000,  0.0009664200000000, -0.0014100700000000 ]  - [   0.0000987800000000,  0.0013624900000000, -0.0006330100000000 ]  - [   0.0000000000000000,  0.0014492700000000, -0.0005539100000000 ]  - [  -0.0000987800000000,  0.0013624900000000, -0.0006330100000000 ]  - [   0.0000000000000000, -0.0047170000000000, -0.0039007800000000 ]  - [   0.0001296200000000,  0.0002621600000000, -0.0002791300000000 ]  - [   0.0000000000000000,  0.0013546300000000, -0.0004651300000000 ]  - [  -0.0001296200000000,  0.0002621600000000, -0.0002791300000000 ]  - [   0.0000000000000000, -0.0006938000000000, -0.0004158600000000 ]  - [  -0.0000076600000000, -0.0011546800000000, -0.0004511100000000 ]  - [   0.0000000000000000, -0.0014179200000000, -0.0005058400000000 ]  - [   0.0000076600000000, -0.0011546800000000, -0.0004511100000000 ]  - [   0.0000000000000000, -0.0014177500000000, -0.0005013400000000 ]  - [  -0.0000127700000000, -0.0014340000000000, -0.0005208000000000 ]  - [   0.0000000000000000, -0.0014510000000000, -0.0005387500000000 ]  - [   0.0000127700000000, -0.0014340000000000, -0.0005208000000000 ]  - [   0.0000433800000000,  0.0017563000000000,  0.0006465800000000 ]  - [  -0.0000433800000000,  0.0017563000000000,  0.0006465800000000 ]  - [  -0.0000431400000000,  0.0015622600000000,  0.0005380100000000 ]  - [   0.0000431400000000,  0.0015622600000000,  0.0005380100000000 ]  - [   0.0000203700000000,  0.0015528000000000,  0.0005334600000000 ]  - [  -0.0000203700000000,  0.0015528000000000,  0.0005334600000000 ]  - [  -0.0000110400000000,  0.0014912900000000,  0.0005546500000000 ]  - [   0.0000110400000000,  0.0014912900000000,  0.0005546500000000 ]  - [   0.0000463000000000,  0.0013736300000000, -0.0000082500000000 ]  - [  -0.0000463000000000,  0.0013736300000000, -0.0000082500000000 ]  - [  -0.0000218100000000,  0.0011368600000000, -0.0000106500000000 ]  - [   0.0000218100000000,  0.0011368600000000, -0.0000106500000000 ]  - [   0.0000463000000000,  0.0013736300000000,  0.0000082500000000 ]  - [  -0.0000463000000000,  0.0013736300000000,  0.0000082500000000 ]  - [  -0.0000218100000000,  0.0011368600000000,  0.0000106500000000 ]  - [   0.0000218100000000,  0.0011368600000000,  0.0000106500000000 ]  - [   0.0000000000000000,  0.0011254200000000,  0.0000000000000000 ]  - [   0.0001562800000000, -0.0005166600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010185800000000,  0.0000000000000000 ]  - [  -0.0001562800000000, -0.0005166600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010581000000000,  0.0000000000000000 ]  - [  -0.0000031900000000, -0.0010740600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010899200000000,  0.0000000000000000 ]  - [   0.0000031900000000, -0.0010740600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006938000000000,  0.0004158600000000 ]  - [  -0.0000076600000000, -0.0011546800000000,  0.0004511100000000 ]  - [   0.0000000000000000, -0.0014179200000000,  0.0005058400000000 ]  - [   0.0000076600000000, -0.0011546800000000,  0.0004511100000000 ]  - [   0.0000000000000000, -0.0014177500000000,  0.0005013400000000 ]  - [  -0.0000127700000000, -0.0014340000000000,  0.0005208000000000 ]  - [   0.0000000000000000, -0.0014510000000000,  0.0005387500000000 ]  - [   0.0000127700000000, -0.0014340000000000,  0.0005208000000000 ]  - [   0.0000203700000000,  0.0015528000000000, -0.0005334600000000 ]  - [  -0.0000203700000000,  0.0015528000000000, -0.0005334600000000 ]  - [  -0.0000110400000000,  0.0014912900000000, -0.0005546500000000 ]  - [   0.0000110400000000,  0.0014912900000000, -0.0005546500000000 ]  - [   0.0000433800000000,  0.0017563000000000, -0.0006465800000000 ]  - [  -0.0000433800000000,  0.0017563000000000, -0.0006465800000000 ]  - [  -0.0000431400000000,  0.0015622600000000, -0.0005380100000000 ]  - [   0.0000431400000000,  0.0015622600000000, -0.0005380100000000 ]  - [   0.0000000000000000,  0.0752731000000000,  0.0000000000000000 ]  - [   0.0014021200000000,  0.0146566000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0048513300000000,  0.0000000000000000 ]  - [  -0.0014021200000000,  0.0146566000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0046689600000000,  0.0000000000000000 ]  - [   0.0000619900000000,  0.0041724500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0040864400000000,  0.0000000000000000 ]  - [  -0.0000619900000000,  0.0041724500000000,  0.0000000000000000 ]  - [  -0.0017284600000000, -0.0005215300000000, -0.0019110100000000 ]  - [   0.0017284600000000, -0.0005215300000000, -0.0019110100000000 ]  - [  -0.0002014800000000, -0.0034609100000000,  0.0000923900000000 ]  - [   0.0002014800000000, -0.0034609100000000,  0.0000923900000000 ]  - [  -0.0017284600000000, -0.0005215300000000,  0.0019110100000000 ]  - [   0.0017284600000000, -0.0005215300000000,  0.0019110100000000 ]  - [  -0.0002014800000000, -0.0034609100000000, -0.0000923900000000 ]  - [   0.0002014800000000, -0.0034609100000000, -0.0000923900000000 ]  - [   0.0005981700000000,  0.0012963800000000,  0.0000000000000000 ]  - [  -0.0005981700000000,  0.0012963800000000,  0.0000000000000000 ]  - [  -0.0000098200000000,  0.0034015500000000,  0.0000000000000000 ]  - [   0.0000098200000000,  0.0034015500000000,  0.0000000000000000 ]  - [  -0.0000331500000000,  0.0038546500000000,  0.0000000000000000 ]  - [   0.0000331500000000,  0.0038546500000000,  0.0000000000000000 ]  - [   0.0000252800000000,  0.0039336300000000,  0.0000000000000000 ]  - [  -0.0000252800000000,  0.0039336300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0046888400000000,  0.0002373000000000 ]  - [   0.0000256200000000, -0.0043658100000000,  0.0000990800000000 ]  - [   0.0000000000000000, -0.0040608100000000,  0.0000358100000000 ]  - [  -0.0000256200000000, -0.0043658100000000,  0.0000990800000000 ]  - [   0.0000000000000000, -0.0046888400000000, -0.0002373000000000 ]  - [   0.0000256200000000, -0.0043658100000000, -0.0000990800000000 ]  - [   0.0000000000000000, -0.0040608100000000, -0.0000358100000000 ]  - [  -0.0000256200000000, -0.0043658100000000, -0.0000990800000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0055973900000000,  0.0057335500000000,  0.0106516700000000 ]  - [   0.0055973900000000,  0.0057335500000000,  0.0106516700000000 ]  - [  -0.0004265800000000, -0.0012280600000000,  0.0000772400000000 ]  - [   0.0004265800000000, -0.0012280600000000,  0.0000772400000000 ]  - [  -0.0001072600000000, -0.0014584200000000, -0.0018184100000000 ]  - [   0.0001072600000000, -0.0014584200000000, -0.0018184100000000 ]  - [   0.0000947600000000, -0.0015222100000000, -0.0010283800000000 ]  - [  -0.0000947600000000, -0.0015222100000000, -0.0010283800000000 ]  - [   0.0000000000000000, -0.0053562900000000,  0.0067957200000000 ]  - [  -0.0011993100000000,  0.0018448300000000,  0.0009122500000000 ]  - [   0.0000000000000000,  0.0015415900000000,  0.0008096300000000 ]  - [   0.0011993100000000,  0.0018448300000000,  0.0009122500000000 ]  - [   0.0000000000000000,  0.0018202300000000, -0.0019832600000000 ]  - [   0.0005816700000000,  0.0012557200000000, -0.0001043400000000 ]  - [   0.0000000000000000,  0.0013845400000000,  0.0002297100000000 ]  - [  -0.0005816700000000,  0.0012557200000000, -0.0001043400000000 ]  - [   0.0000000000000000,  0.0004134700000000, -0.0007129700000000 ]  - [  -0.0011229700000000,  0.0007691400000000, -0.0000761800000000 ]  - [   0.0000000000000000,  0.0010317000000000, -0.0000092100000000 ]  - [   0.0011229700000000,  0.0007691400000000, -0.0000761800000000 ]  - [   0.0000000000000000,  0.0018059800000000, -0.0007114800000000 ]  - [   0.0011234100000000,  0.0014538400000000, -0.0000833700000000 ]  - [   0.0000000000000000,  0.0011931100000000, -0.0000100800000000 ]  - [  -0.0011234100000000,  0.0014538400000000, -0.0000833700000000 ]  - [   0.0000016000000000, -0.0010889900000000,  0.0032718700000000 ]  - [  -0.0000016000000000, -0.0010889900000000,  0.0032718700000000 ]  - [   0.0000017100000000, -0.0011056300000000,  0.0001567800000000 ]  - [  -0.0000017100000000, -0.0011056300000000,  0.0001567800000000 ]  - [   0.0000006200000000, -0.0011072100000000, -0.0004487100000000 ]  - [  -0.0000006200000000, -0.0011072100000000, -0.0004487100000000 ]  - [  -0.0000005700000000, -0.0011073300000000, -0.0002210500000000 ]  - [   0.0000005700000000, -0.0011073300000000, -0.0002210500000000 ]  - [   0.0053328300000000, -0.0084794000000000,  0.0115523200000000 ]  - [  -0.0053328300000000, -0.0084794000000000,  0.0115523200000000 ]  - [   0.0004275200000000, -0.0017051800000000,  0.0011584000000000 ]  - [  -0.0004275200000000, -0.0017051800000000,  0.0011584000000000 ]  - [   0.0001079900000000, -0.0014762600000000, -0.0007362000000000 ]  - [  -0.0001079900000000, -0.0014762600000000, -0.0007362000000000 ]  - [  -0.0000950000000000, -0.0014124700000000,  0.0000571800000000 ]  - [   0.0000950000000000, -0.0014124700000000,  0.0000571800000000 ]  - [   0.0000000000000000,  0.0011064000000000, -0.0030589300000000 ]  - [  -0.0005852000000000,  0.0016678200000000, -0.0011880800000000 ]  - [   0.0000000000000000,  0.0015379900000000, -0.0008529600000000 ]  - [   0.0005852000000000,  0.0016678200000000, -0.0011880800000000 ]  - [   0.0000000000000000,  0.0080124400000000,  0.0051479500000000 ]  - [   0.0011929800000000,  0.0010781500000000, -0.0001738700000000 ]  - [   0.0000000000000000,  0.0013810500000000, -0.0002755000000000 ]  - [  -0.0011929800000000,  0.0010781500000000, -0.0001738700000000 ]  - [   0.0000000000000000, -0.0013838400000000, -0.0000115700000000 ]  - [  -0.0000392600000000, -0.0014765000000000, -0.0002091000000000 ]  - [   0.0000000000000000, -0.0014504900000000, -0.0003378100000000 ]  - [   0.0000392600000000, -0.0014765000000000, -0.0002091000000000 ]  - [   0.0000000000000000, -0.0015142500000000, -0.0009351800000000 ]  - [   0.0000520300000000, -0.0014947800000000, -0.0008493800000000 ]  - [   0.0000000000000000, -0.0014751400000000, -0.0007492900000000 ]  - [  -0.0000520300000000, -0.0014947800000000, -0.0008493800000000 ]  - [   0.0000945500000000,  0.0014125100000000,  0.0007019300000000 ]  - [  -0.0000945500000000,  0.0014125100000000,  0.0007019300000000 ]  - [  -0.0000690500000000,  0.0014602100000000,  0.0007191300000000 ]  - [   0.0000690500000000,  0.0014602100000000,  0.0007191300000000 ]  - [  -0.0000800200000000,  0.0014624900000000,  0.0002888400000000 ]  - [   0.0000800200000000,  0.0014624900000000,  0.0002888400000000 ]  - [   0.0000725800000000,  0.0014630800000000,  0.0003712200000000 ]  - [  -0.0000725800000000,  0.0014630800000000,  0.0003712200000000 ]  - [   0.0001626400000000,  0.0015902600000000,  0.0000057400000000 ]  - [  -0.0001626400000000,  0.0015902600000000,  0.0000057400000000 ]  - [  -0.0001019400000000,  0.0011850500000000,  0.0000024200000000 ]  - [   0.0001019400000000,  0.0011850500000000,  0.0000024200000000 ]  - [  -0.0001613000000000,  0.0006278000000000,  0.0000055600000000 ]  - [   0.0001613000000000,  0.0006278000000000,  0.0000055600000000 ]  - [   0.0001017100000000,  0.0010296400000000,  0.0000021100000000 ]  - [  -0.0001017100000000,  0.0010296400000000,  0.0000021100000000 ]  - [   0.0000000000000000, -0.0011136300000000,  0.0000662300000000 ]  - [  -0.0000004100000000, -0.0011140600000000,  0.0000738600000000 ]  - [   0.0000000000000000, -0.0011127800000000,  0.0000851400000000 ]  - [   0.0000004100000000, -0.0011140600000000,  0.0000738600000000 ]  - [   0.0000000000000000, -0.0011131400000000, -0.0001280800000000 ]  - [  -0.0000002700000000, -0.0011128600000000, -0.0001033700000000 ]  - [   0.0000000000000000, -0.0011127200000000, -0.0000836300000000 ]  - [   0.0000002700000000, -0.0011128600000000, -0.0001033700000000 ]  - [   0.0000000000000000, -0.0015393200000000,  0.0010696300000000 ]  - [   0.0000400900000000, -0.0014485200000000,  0.0008731300000000 ]  - [   0.0000000000000000, -0.0014723100000000,  0.0007454500000000 ]  - [  -0.0000400900000000, -0.0014485200000000,  0.0008731300000000 ]  - [   0.0000000000000000, -0.0014080100000000,  0.0001482800000000 ]  - [  -0.0000525900000000, -0.0014275200000000,  0.0002342700000000 ]  - [   0.0000000000000000, -0.0014474700000000,  0.0003342000000000 ]  - [   0.0000525900000000, -0.0014275200000000,  0.0002342700000000 ]  - [   0.0000804900000000,  0.0014716300000000, -0.0007956000000000 ]  - [  -0.0000804900000000,  0.0014716300000000, -0.0007956000000000 ]  - [  -0.0000728900000000,  0.0014711400000000, -0.0007132900000000 ]  - [   0.0000728900000000,  0.0014711400000000, -0.0007132900000000 ]  - [  -0.0000941900000000,  0.0015210300000000, -0.0003841200000000 ]  - [   0.0000941900000000,  0.0015210300000000, -0.0003841200000000 ]  - [   0.0000692800000000,  0.0014737400000000, -0.0003669100000000 ]  - [  -0.0000692800000000,  0.0014737400000000, -0.0003669100000000 ]  - [   0.0000000000000000,  0.0038454700000000, -0.0640244200000000 ]  - [  -0.0000200700000000,  0.0039635200000000, -0.0076075400000000 ]  - [   0.0000000000000000,  0.0039833400000000, -0.0017429300000000 ]  - [   0.0000200700000000,  0.0039635200000000, -0.0076075400000000 ]  - [   0.0000000000000000,  0.0039833100000000,  0.0037333200000000 ]  - [   0.0000019500000000,  0.0039849800000000,  0.0017571500000000 ]  - [   0.0000000000000000,  0.0039856500000000,  0.0009818400000000 ]  - [  -0.0000019500000000,  0.0039849800000000,  0.0017571500000000 ]  - [  -0.0052708300000000, -0.0020689400000000,  0.0053963300000000 ]  - [   0.0052708300000000, -0.0020689400000000,  0.0053963300000000 ]  - [   0.0011904700000000, -0.0040727800000000,  0.0004393500000000 ]  - [  -0.0011904700000000, -0.0040727800000000,  0.0004393500000000 ]  - [   0.0052379700000000, -0.0058829100000000,  0.0053803500000000 ]  - [  -0.0052379700000000, -0.0058829100000000,  0.0053803500000000 ]  - [  -0.0011888200000000, -0.0038909000000000,  0.0004417700000000 ]  - [   0.0011888200000000, -0.0038909000000000,  0.0004417700000000 ]  - [  -0.0000007900000000,  0.0039878400000000, -0.0012401600000000 ]  - [   0.0000007900000000,  0.0039878400000000, -0.0012401600000000 ]  - [  -0.0000007300000000,  0.0039846700000000, -0.0006010600000000 ]  - [   0.0000007300000000,  0.0039846700000000, -0.0006010600000000 ]  - [  -0.0000006300000000,  0.0039832800000000,  0.0009942500000000 ]  - [   0.0000006300000000,  0.0039832800000000,  0.0009942500000000 ]  - [   0.0000005400000000,  0.0039831400000000,  0.0006369100000000 ]  - [  -0.0000005400000000,  0.0039831400000000,  0.0006369100000000 ]  - [   0.0000000000000000, -0.0042188700000000,  0.0002185000000000 ]  - [   0.0006777500000000, -0.0040826500000000,  0.0000415300000000 ]  - [   0.0000000000000000, -0.0040200700000000,  0.0000187800000000 ]  - [  -0.0006777500000000, -0.0040826500000000,  0.0000415300000000 ]  - [   0.0000000000000000, -0.0037526200000000,  0.0002219900000000 ]  - [  -0.0006744300000000, -0.0038880600000000,  0.0000457100000000 ]  - [   0.0000000000000000, -0.0039501200000000,  0.0000206500000000 ]  - [   0.0006744300000000, -0.0038880600000000,  0.0000457100000000 ]