# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e406aef1-b9c2-456b-92f1-66f22d4ff51a/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 SrAl12O19 / P6_3/mmc (194) / materials id 6995](https://mdr.nims.go.jp/datasets/2edeb697-8b9b-4717-9d3c-cc63204d5682)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.587927630000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.793963810000000,     4.839287280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    21.919852360000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.502375840000000,  0.497624160000000,  0.351536790000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.502375840000000,  0.004751660000000,  0.351536790000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.995248340000000,  0.497624160000000,  0.351536790000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.004751660000000,  0.502375840000000,  0.851536790000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.497624160000000,  0.995248340000000,  0.648463210000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.497624160000000,  0.502375840000000,  0.851536790000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.497624160000000,  0.995248340000000,  0.851536790000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.502375840000000,  0.497624160000000,  0.148463210000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.995248340000000,  0.497624160000000,  0.148463210000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.004751660000000,  0.502375840000000,  0.648463210000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.497624160000000,  0.502375840000000,  0.648463210000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.502375840000000,  0.004751660000000,  0.148463210000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.154483730000000,  0.845516270000000,  0.447778730000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.154483730000000,  0.308967470000000,  0.447778730000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.691032530000000,  0.845516270000000,  0.447778730000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.635938520000000,  0.817969260000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.308967470000000,  0.154483730000000,  0.947778730000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.845516270000000,  0.154483730000000,  0.947778730000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.845516270000000,  0.691032530000000,  0.947778730000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.154483730000000,  0.845516270000000,  0.052221270000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.691032530000000,  0.845516270000000,  0.052221270000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.308967470000000,  0.154483730000000,  0.552221270000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.845516270000000,  0.154483730000000,  0.552221270000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.154483730000000,  0.308967470000000,  0.052221270000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.817969260000000,  0.635938520000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.182030740000000,  0.817969260000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.150258050000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.650258050000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.849741950000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.000000000000000,  0.349741950000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.333333330000000,  0.666666670000000,  0.945772770000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.666666670000000,  0.333333330000000,  0.445772770000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.666666670000000,  0.333333330000000,  0.054227230000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.333333330000000,  0.666666670000000,  0.554227230000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.182030740000000,  0.364061480000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.817969260000000,  0.182030740000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.364061480000000,  0.182030740000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.845516270000000,  0.691032530000000,  0.552221270000000 ]    mass: 15.999400  - symbol: Al # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.309269240000000 ]    mass: 26.981539  - symbol: Al # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.809269240000000 ]    mass: 26.981539  - symbol: Al # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.690730760000000 ]    mass: 26.981539  - symbol: Al # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.190730760000000 ]    mass: 26.981539  - symbol: Al # 43    coordinates: [  0.168100440000000,  0.831899560000000,  0.608948290000000 ]    mass: 26.981539  - symbol: Al # 44    coordinates: [  0.168100440000000,  0.336200880000000,  0.608948290000000 ]    mass: 26.981539  - symbol: Al # 45    coordinates: [  0.663799120000000,  0.831899560000000,  0.608948290000000 ]    mass: 26.981539  - symbol: Al # 46    coordinates: [  0.336200880000000,  0.168100440000000,  0.108948290000000 ]    mass: 26.981539  - symbol: Al # 47    coordinates: [  0.831899560000000,  0.663799120000000,  0.391051710000000 ]    mass: 26.981539  - symbol: Al # 48    coordinates: [  0.831899560000000,  0.168100440000000,  0.108948290000000 ]    mass: 26.981539  - symbol: Al # 49    coordinates: [  0.831899560000000,  0.663799120000000,  0.108948290000000 ]    mass: 26.981539  - symbol: Al # 50    coordinates: [  0.168100440000000,  0.831899560000000,  0.891051710000000 ]    mass: 26.981539  - symbol: Al # 51    coordinates: [  0.663799120000000,  0.831899560000000,  0.891051710000000 ]    mass: 26.981539  - symbol: Al # 52    coordinates: [  0.336200880000000,  0.168100440000000,  0.391051710000000 ]    mass: 26.981539  - symbol: Al # 53    coordinates: [  0.831899560000000,  0.168100440000000,  0.391051710000000 ]    mass: 26.981539  - symbol: Al # 54    coordinates: [  0.168100440000000,  0.336200880000000,  0.891051710000000 ]    mass: 26.981539  - symbol: Al # 55    coordinates: [  0.333333330000000,  0.666666670000000,  0.471251280000000 ]    mass: 26.981539  - symbol: Al # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.971251280000000 ]    mass: 26.981539  - symbol: Al # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.528748720000000 ]    mass: 26.981539  - symbol: Al # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.028748720000000 ]    mass: 26.981539  - symbol: Al # 59    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 26.981539  - symbol: Al # 60    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 26.981539  - symbol: Al # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Al # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Sr # 63    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 64    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [     0.178957221033301,     0.103320999596704,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.206641999563208,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.045620745230238 ] # c*unit_cell:  lattice:  - [     5.587927630000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.793963810000000,     4.839287280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    21.919852360000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.502375840000000,  0.497624160000000,  0.351536790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.502375840000000,  0.004751660000000,  0.351536790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.995248340000000,  0.497624160000000,  0.351536790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.004751660000000,  0.502375840000000,  0.851536790000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.497624160000000,  0.995248340000000,  0.648463210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.497624160000000,  0.502375840000000,  0.851536790000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.497624160000000,  0.995248340000000,  0.851536790000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.502375840000000,  0.497624160000000,  0.148463210000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.995248340000000,  0.497624160000000,  0.148463210000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.004751660000000,  0.502375840000000,  0.648463210000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.497624160000000,  0.502375840000000,  0.648463210000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.502375840000000,  0.004751660000000,  0.148463210000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.154483730000000,  0.845516270000000,  0.447778730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.154483730000000,  0.308967470000000,  0.447778730000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.691032530000000,  0.845516270000000,  0.447778730000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.635938520000000,  0.817969260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.308967470000000,  0.154483730000000,  0.947778730000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.845516270000000,  0.154483730000000,  0.947778730000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.845516270000000,  0.691032530000000,  0.947778730000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.154483730000000,  0.845516270000000,  0.052221270000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.691032530000000,  0.845516270000000,  0.052221270000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.308967470000000,  0.154483730000000,  0.552221270000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.845516270000000,  0.154483730000000,  0.552221270000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.154483730000000,  0.308967470000000,  0.052221270000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.817969260000000,  0.635938520000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.182030740000000,  0.817969260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.150258050000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.650258050000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.849741950000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.000000000000000,  0.349741950000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.333333330000000,  0.666666670000000,  0.945772770000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.666666670000000,  0.333333330000000,  0.445772770000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.666666670000000,  0.333333330000000,  0.054227230000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.333333330000000,  0.666666670000000,  0.554227230000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.182030740000000,  0.364061480000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.817969260000000,  0.182030740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.364061480000000,  0.182030740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.845516270000000,  0.691032530000000,  0.552221270000000 ]    mass: 15.999400    reduced_to: 38  - symbol: Al # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.309269240000000 ]    mass: 26.981539    reduced_to: 39  - symbol: Al # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.809269240000000 ]    mass: 26.981539    reduced_to: 40  - symbol: Al # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.690730760000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.190730760000000 ]    mass: 26.981539    reduced_to: 42  - symbol: Al # 43    coordinates: [  0.168100440000000,  0.831899560000000,  0.608948290000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 44    coordinates: [  0.168100440000000,  0.336200880000000,  0.608948290000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 45    coordinates: [  0.663799120000000,  0.831899560000000,  0.608948290000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 46    coordinates: [  0.336200880000000,  0.168100440000000,  0.108948290000000 ]    mass: 26.981539    reduced_to: 46  - symbol: Al # 47    coordinates: [  0.831899560000000,  0.663799120000000,  0.391051710000000 ]    mass: 26.981539    reduced_to: 47  - symbol: Al # 48    coordinates: [  0.831899560000000,  0.168100440000000,  0.108948290000000 ]    mass: 26.981539    reduced_to: 48  - symbol: Al # 49    coordinates: [  0.831899560000000,  0.663799120000000,  0.108948290000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 50    coordinates: [  0.168100440000000,  0.831899560000000,  0.891051710000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 51    coordinates: [  0.663799120000000,  0.831899560000000,  0.891051710000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 52    coordinates: [  0.336200880000000,  0.168100440000000,  0.391051710000000 ]    mass: 26.981539    reduced_to: 52  - symbol: Al # 53    coordinates: [  0.831899560000000,  0.168100440000000,  0.391051710000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 54    coordinates: [  0.168100440000000,  0.336200880000000,  0.891051710000000 ]    mass: 26.981539    reduced_to: 54  - symbol: Al # 55    coordinates: [  0.333333330000000,  0.666666670000000,  0.471251280000000 ]    mass: 26.981539    reduced_to: 55  - symbol: Al # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.971251280000000 ]    mass: 26.981539    reduced_to: 56  - symbol: Al # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.528748720000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.028748720000000 ]    mass: 26.981539    reduced_to: 58  - symbol: Al # 59    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 59  - symbol: Al # 60    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 60  - symbol: Al # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 62  - symbol: Sr # 63    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 63  - symbol: Sr # 64    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 64supercell:  lattice:  - [     5.587927630000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.793963810000000,     4.839287280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    21.919852360000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.502375840000000,  0.497624160000000,  0.351536790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.502375840000000,  0.004751660000000,  0.351536790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.995248340000000,  0.497624160000000,  0.351536790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.004751660000000,  0.502375840000000,  0.851536790000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.497624160000000,  0.995248340000000,  0.648463210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.497624160000000,  0.502375840000000,  0.851536790000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.497624160000000,  0.995248340000000,  0.851536790000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.502375840000000,  0.497624160000000,  0.148463210000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.995248340000000,  0.497624160000000,  0.148463210000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.004751660000000,  0.502375840000000,  0.648463210000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.497624160000000,  0.502375840000000,  0.648463210000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.502375840000000,  0.004751660000000,  0.148463210000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.154483730000000,  0.845516270000000,  0.447778730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.154483730000000,  0.308967470000000,  0.447778730000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.691032530000000,  0.845516270000000,  0.447778730000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.635938520000000,  0.817969260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.308967470000000,  0.154483730000000,  0.947778730000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.845516270000000,  0.154483730000000,  0.947778730000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.845516270000000,  0.691032530000000,  0.947778730000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.154483730000000,  0.845516270000000,  0.052221270000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.691032530000000,  0.845516270000000,  0.052221270000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.308967470000000,  0.154483730000000,  0.552221270000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.845516270000000,  0.154483730000000,  0.552221270000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.154483730000000,  0.308967470000000,  0.052221270000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.817969260000000,  0.635938520000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.182030740000000,  0.817969260000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.150258050000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.650258050000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.849741950000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.000000000000000,  0.349741950000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.333333330000000,  0.666666670000000,  0.945772770000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.666666670000000,  0.333333330000000,  0.445772770000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.666666670000000,  0.333333330000000,  0.054227230000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.333333330000000,  0.666666670000000,  0.554227230000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.182030740000000,  0.364061480000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.817969260000000,  0.182030740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.364061480000000,  0.182030740000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.845516270000000,  0.691032530000000,  0.552221270000000 ]    mass: 15.999400    reduced_to: 38  - symbol: Al # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.309269240000000 ]    mass: 26.981539    reduced_to: 39  - symbol: Al # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.809269240000000 ]    mass: 26.981539    reduced_to: 40  - symbol: Al # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.690730760000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.190730760000000 ]    mass: 26.981539    reduced_to: 42  - symbol: Al # 43    coordinates: [  0.168100440000000,  0.831899560000000,  0.608948290000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 44    coordinates: [  0.168100440000000,  0.336200880000000,  0.608948290000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 45    coordinates: [  0.663799120000000,  0.831899560000000,  0.608948290000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 46    coordinates: [  0.336200880000000,  0.168100440000000,  0.108948290000000 ]    mass: 26.981539    reduced_to: 46  - symbol: Al # 47    coordinates: [  0.831899560000000,  0.663799120000000,  0.391051710000000 ]    mass: 26.981539    reduced_to: 47  - symbol: Al # 48    coordinates: [  0.831899560000000,  0.168100440000000,  0.108948290000000 ]    mass: 26.981539    reduced_to: 48  - symbol: Al # 49    coordinates: [  0.831899560000000,  0.663799120000000,  0.108948290000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 50    coordinates: [  0.168100440000000,  0.831899560000000,  0.891051710000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 51    coordinates: [  0.663799120000000,  0.831899560000000,  0.891051710000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 52    coordinates: [  0.336200880000000,  0.168100440000000,  0.391051710000000 ]    mass: 26.981539    reduced_to: 52  - symbol: Al # 53    coordinates: [  0.831899560000000,  0.168100440000000,  0.391051710000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 54    coordinates: [  0.168100440000000,  0.336200880000000,  0.891051710000000 ]    mass: 26.981539    reduced_to: 54  - symbol: Al # 55    coordinates: [  0.333333330000000,  0.666666670000000,  0.471251280000000 ]    mass: 26.981539    reduced_to: 55  - symbol: Al # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.971251280000000 ]    mass: 26.981539    reduced_to: 56  - symbol: Al # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.528748720000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.028748720000000 ]    mass: 26.981539    reduced_to: 58  - symbol: Al # 59    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 59  - symbol: Al # 60    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 60  - symbol: Al # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 62  - symbol: Sr # 63    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 63  - symbol: Sr # 64    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 64displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1820216800000000, -0.0164987500000000, -0.0766232600000000 ]  - [   0.0080434700000000, -0.0221981100000000, -0.0028461100000000 ]  - [   0.0454728800000000,  0.0006389600000000, -0.0027359300000000 ]  - [   0.0000776600000000,  0.0000434700000000,  0.0004896900000000 ]  - [   0.0000074700000000,  0.0000139900000000,  0.0002886200000000 ]  - [  -0.0000756600000000,  0.0000419800000000,  0.0004888700000000 ]  - [  -0.0000004200000000, -0.0000904100000000,  0.0004888000000000 ]  - [  -0.0006015200000000,  0.0000038500000000,  0.0005128300000000 ]  - [   0.0009022800000000, -0.0001178900000000,  0.0006165200000000 ]  - [  -0.0000009600000000, -0.0000071400000000,  0.0004118100000000 ]  - [   0.0000009900000000, -0.0000171900000000,  0.0004022600000000 ]  - [   0.0000217500000000, -0.0003925200000000, -0.0003276900000000 ]  - [   0.0001049100000000,  0.0007177400000000, -0.0002272600000000 ]  - [   0.0061032200000000,  0.0062867600000000, -0.0118145600000000 ]  - [  -0.0025143000000000,  0.0002800900000000, -0.0004355600000000 ]  - [  -0.0026475500000000, -0.0015391700000000,  0.0009194300000000 ]  - [   0.0000219000000000,  0.0000113600000000,  0.0004927000000000 ]  - [  -0.0000211900000000,  0.0000120600000000,  0.0004913200000000 ]  - [   0.0000004300000000, -0.0000226900000000,  0.0004772200000000 ]  - [  -0.0001716400000000,  0.0000227000000000,  0.0004899200000000 ]  - [   0.0001552000000000,  0.0000180400000000,  0.0004687300000000 ]  - [  -0.0009488800000000, -0.0000557300000000,  0.0003906000000000 ]  - [   0.0014744800000000, -0.0000958000000000,  0.0004897400000000 ]  - [   0.0000076600000000, -0.0000940800000000,  0.0004831200000000 ]  - [   0.0000004700000000, -0.0000156100000000,  0.0004641500000000 ]  - [   0.0007063100000000, -0.0003400900000000, -0.0005716000000000 ]  - [  -0.0001781000000000,  0.0004570200000000,  0.0012730000000000 ]  - [   0.0000234700000000,  0.0000036600000000,  0.0007207600000000 ]  - [   0.0000008800000000,  0.0000031800000000,  0.0005287800000000 ]  - [   0.0076825500000000,  0.0191558700000000, -0.0015370100000000 ]  - [  -0.0000009800000000,  0.0000018400000000,  0.0005907400000000 ]  - [   0.0085451200000000, -0.0067455000000000,  0.0184708600000000 ]  - [   0.0000039500000000,  0.0000935900000000,  0.0005380300000000 ]  - [  -0.0000233900000000, -0.0003663500000000, -0.0001791700000000 ]  - [   0.0060292600000000,  0.0039540400000000,  0.0114358300000000 ]  - [  -0.0000191400000000,  0.0000042500000000,  0.0004554000000000 ]  - [   0.0000192700000000,  0.0000029600000000,  0.0004553300000000 ]  - [  -0.0000568900000000,  0.0006877800000000,  0.0008240600000000 ]  - [   0.0310391000000000, -0.0101463000000000,  0.0179378200000000 ]  - [  -0.0000011600000000,  0.0000039400000000, -0.0007661700000000 ]  - [   0.0000010600000000,  0.0000390000000000, -0.0007224700000000 ]  - [  -0.0002378500000000,  0.0025933800000000, -0.0020491100000000 ]  - [  -0.0003935700000000,  0.0000576100000000, -0.0006109500000000 ]  - [  -0.0000423900000000, -0.0003295600000000, -0.0004328900000000 ]  - [   0.0004202200000000,  0.0000995600000000, -0.0006457600000000 ]  - [   0.0005087800000000, -0.0000573400000000, -0.0006459500000000 ]  - [   0.0618026300000000,  0.0249498400000000,  0.0351478200000000 ]  - [  -0.0005163700000000, -0.0000462600000000, -0.0007290400000000 ]  - [   0.0000148400000000, -0.0002484700000000, -0.0006189500000000 ]  - [   0.0000164400000000, -0.0000130900000000, -0.0006801200000000 ]  - [  -0.0000163400000000, -0.0000116400000000, -0.0006798200000000 ]  - [   0.0162140800000000,  0.0008865700000000,  0.0037934300000000 ]  - [  -0.0071461100000000,  0.0012234800000000,  0.0020234900000000 ]  - [  -0.0000015900000000,  0.0000220300000000, -0.0006812700000000 ]  - [  -0.0011418700000000,  0.0041539900000000,  0.0051568700000000 ]  - [   0.0000009000000000,  0.0000097300000000, -0.0007232600000000 ]  - [   0.0006281300000000, -0.0004374500000000, -0.0044905200000000 ]  - [   0.0000025600000000,  0.0000345000000000, -0.0006357800000000 ]  - [  -0.0000004000000000, -0.0000030300000000, -0.0008894400000000 ]  - [   0.0005432200000000, -0.0044111600000000,  0.0016169100000000 ]  - [   0.0002067900000000, -0.0028143200000000,  0.0016063500000000 ]  - [  -0.0000029700000000, -0.0000155400000000, -0.0007639100000000 ]  - [  -0.0000005300000000, -0.0000071700000000, -0.0006607200000000 ]  - [   0.0019791500000000,  0.0006095700000000,  0.0032824600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1809393400000000,  0.0126948400000000,  0.0763057500000000 ]  - [  -0.0080842500000000,  0.0222448100000000,  0.0028796600000000 ]  - [  -0.0453855900000000, -0.0006627500000000,  0.0027986500000000 ]  - [  -0.0000601300000000, -0.0000327800000000, -0.0004407500000000 ]  - [  -0.0000074100000000, -0.0000356600000000, -0.0003417500000000 ]  - [   0.0000619900000000, -0.0000342600000000, -0.0004421600000000 ]  - [  -0.0000005200000000,  0.0000655100000000, -0.0004437000000000 ]  - [   0.0006170200000000, -0.0000082500000000, -0.0005632200000000 ]  - [  -0.0009222500000000,  0.0001066700000000, -0.0006720000000000 ]  - [   0.0000226700000000,  0.0000204400000000, -0.0004620000000000 ]  - [  -0.0000151400000000,  0.0000259500000000, -0.0004523400000000 ]  - [  -0.0000165400000000,  0.0004141300000000,  0.0002764000000000 ]  - [  -0.0001092800000000, -0.0006934600000000,  0.0002771700000000 ]  - [  -0.0060647600000000, -0.0063491500000000,  0.0119396700000000 ]  - [   0.0025133600000000, -0.0003525900000000,  0.0003849300000000 ]  - [   0.0026547400000000,  0.0014996600000000, -0.0008647400000000 ]  - [  -0.0000238700000000, -0.0000118300000000, -0.0004624100000000 ]  - [   0.0000228000000000, -0.0000130600000000, -0.0004618400000000 ]  - [  -0.0000010900000000,  0.0000232200000000, -0.0004481800000000 ]  - [   0.0001700600000000, -0.0000215600000000, -0.0005227500000000 ]  - [  -0.0001534900000000, -0.0000177400000000, -0.0005032600000000 ]  - [   0.0009461200000000,  0.0000560300000000, -0.0004153600000000 ]  - [  -0.0014717600000000,  0.0000894300000000, -0.0005270600000000 ]  - [  -0.0000069300000000,  0.0000938300000000, -0.0005167000000000 ]  - [   0.0000022000000000,  0.0000168100000000, -0.0004654400000000 ]  - [  -0.0007074100000000,  0.0003551300000000,  0.0005563400000000 ]  - [   0.0001733700000000, -0.0004633500000000, -0.0012985500000000 ]  - [  -0.0000261900000000, -0.0000068800000000, -0.0007445900000000 ]  - [   0.0000006800000000, -0.0000000100000000, -0.0005089500000000 ]  - [  -0.0076750500000000, -0.0191708400000000,  0.0015642800000000 ]  - [   0.0000006100000000, -0.0000006400000000, -0.0005712500000000 ]  - [  -0.0085781900000000,  0.0066854400000000, -0.0182592600000000 ]  - [  -0.0000044800000000, -0.0000954500000000, -0.0005623000000000 ]  - [   0.0000246900000000,  0.0003661000000000,  0.0001530800000000 ]  - [  -0.0060229800000000, -0.0040011600000000, -0.0115630900000000 ]  - [   0.0000161600000000, -0.0000025100000000, -0.0004574200000000 ]  - [  -0.0000187500000000, -0.0000058200000000, -0.0004580600000000 ]  - [   0.0000527500000000, -0.0006835300000000, -0.0008580800000000 ]  - [  -0.0330583000000000,  0.0115104900000000, -0.0195191500000000 ]  - [  -0.0000007000000000, -0.0000021800000000,  0.0007539700000000 ]  - [  -0.0000036700000000, -0.0000383400000000,  0.0007422200000000 ]  - [   0.0002261100000000, -0.0026025800000000,  0.0020647200000000 ]  - [   0.0004116200000000, -0.0000651600000000,  0.0006578900000000 ]  - [   0.0000434400000000,  0.0003495500000000,  0.0004810300000000 ]  - [  -0.0004399400000000, -0.0001093300000000,  0.0006966900000000 ]  - [  -0.0004894000000000,  0.0000661100000000,  0.0006970200000000 ]  - [  -0.0588523700000000, -0.0228729700000000, -0.0329496100000000 ]  - [   0.0004983600000000,  0.0000569000000000,  0.0007777800000000 ]  - [  -0.0000129200000000,  0.0002267500000000,  0.0006678500000000 ]  - [   0.0000014100000000,  0.0000021700000000,  0.0006384000000000 ]  - [  -0.0000029900000000,  0.0000029300000000,  0.0006378300000000 ]  - [  -0.0161781700000000, -0.0003948200000000, -0.0040969700000000 ]  - [   0.0071262700000000, -0.0010834000000000, -0.0021549300000000 ]  - [  -0.0000008700000000, -0.0000005500000000,  0.0006390700000000 ]  - [   0.0010981500000000, -0.0041537000000000, -0.0052131300000000 ]  - [  -0.0000007500000000, -0.0000112500000000,  0.0007188100000000 ]  - [  -0.0006322100000000,  0.0004333400000000,  0.0045155400000000 ]  - [  -0.0000020000000000, -0.0000362100000000,  0.0006456800000000 ]  - [  -0.0000008700000000,  0.0000031000000000,  0.0008935200000000 ]  - [  -0.0005275700000000,  0.0044127600000000, -0.0016193000000000 ]  - [  -0.0001754200000000,  0.0028120600000000, -0.0015908900000000 ]  - [   0.0000022600000000,  0.0000170300000000,  0.0007670200000000 ]  - [   0.0000007300000000,  0.0000068900000000,  0.0006641300000000 ]  - [  -0.0018926600000000, -0.0006243400000000, -0.0033639400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0765683500000000,  0.0442067600000000, -0.1638766800000000 ]  - [  -0.0001015700000000, -0.0032280000000000, -0.0157881600000000 ]  - [   0.0027447400000000,  0.0017019600000000, -0.0157881600000000 ]  - [   0.0004756300000000,  0.0002760900000000,  0.0033039000000000 ]  - [  -0.0001225500000000,  0.0004215000000000,  0.0032814200000000 ]  - [  -0.0004730600000000,  0.0002731200000000,  0.0033091500000000 ]  - [  -0.0000012800000000, -0.0005499500000000,  0.0033039000000000 ]  - [  -0.0005318500000000,  0.0003070600000000,  0.0030678200000000 ]  - [   0.0006344600000000, -0.0007221600000000,  0.0033569800000000 ]  - [  -0.0004263000000000, -0.0001046100000000,  0.0032814200000000 ]  - [   0.0004196700000000, -0.0002423000000000,  0.0030509900000000 ]  - [   0.0009426400000000, -0.0001883800000000,  0.0033569800000000 ]  - [   0.0006379200000000, -0.0003683000000000, -0.0051268000000000 ]  - [  -0.0103953800000000, -0.0087610200000000,  0.0085103800000000 ]  - [   0.0023895700000000,  0.0133831800000000,  0.0085103800000000 ]  - [   0.0006645600000000, -0.0124199500000000,  0.0108891400000000 ]  - [   0.0001528200000000,  0.0000786900000000,  0.0033773100000000 ]  - [  -0.0001511200000000,  0.0000872500000000,  0.0033687500000000 ]  - [   0.0000082600000000, -0.0001716900000000,  0.0033773100000000 ]  - [  -0.0001433900000000,  0.0000827900000000,  0.0034687500000000 ]  - [   0.0001567300000000,  0.0000661300000000,  0.0032965800000000 ]  - [  -0.0001777600000000, -0.0005306300000000,  0.0026711700000000 ]  - [   0.0005863100000000, -0.0003385000000000,  0.0054582700000000 ]  - [   0.0000211000000000, -0.0001687900000000,  0.0032965800000000 ]  - [  -0.0000137500000000, -0.0000157500000000,  0.0032292600000000 ]  - [   0.0010396100000000, -0.0006002200000000, -0.0040215600000000 ]  - [  -0.0006676600000000,  0.0003854700000000,  0.0036688000000000 ]  - [   0.0001651900000000, -0.0000953700000000,  0.0037961000000000 ]  - [   0.0000007600000000, -0.0000004400000000,  0.0036788200000000 ]  - [   0.0001507200000000, -0.0000870200000000, -0.0159469700000000 ]  - [  -0.0000073600000000,  0.0000042500000000,  0.0040221700000000 ]  - [   0.0159327800000000, -0.0091988000000000,  0.0153169600000000 ]  - [  -0.0000218800000000,  0.0000126300000000,  0.0039670900000000 ]  - [  -0.0002956900000000,  0.0001707200000000,  0.0031026200000000 ]  - [   0.0110882700000000,  0.0056344400000000,  0.0108891400000000 ]  - [  -0.0000062400000000,  0.0000036000000000,  0.0032328300000000 ]  - [   0.0000067700000000,  0.0000197800000000,  0.0032292600000000 ]  - [   0.0003706600000000,  0.0004192600000000,  0.0026711700000000 ]  - [   0.0135207100000000, -0.0078061900000000,  0.0378730000000000 ]  - [   0.0000004300000000, -0.0000002500000000, -0.0053525200000000 ]  - [   0.0000744300000000, -0.0000429700000000, -0.0053275600000000 ]  - [  -0.0024490500000000,  0.0014139600000000, -0.0045437000000000 ]  - [  -0.0001771600000000,  0.0001022800000000, -0.0041754800000000 ]  - [  -0.0005959600000000, -0.0005859700000000, -0.0047681000000000 ]  - [   0.0002094900000000,  0.0008091000000000, -0.0047681000000000 ]  - [  -0.0000891500000000, -0.0000254400000000, -0.0044725300000000 ]  - [   0.0305631700000000,  0.0144338900000000,  0.0493831900000000 ]  - [   0.0000928400000000, -0.0000536000000000, -0.0050049000000000 ]  - [  -0.0000225400000000,  0.0000899200000000, -0.0044725300000000 ]  - [   0.0001016300000000, -0.0000586800000000, -0.0046738400000000 ]  - [  -0.0001023800000000, -0.0000563100000000, -0.0046710600000000 ]  - [   0.0027814700000000, -0.0336854300000000,  0.0493831900000000 ]  - [  -0.0012398600000000,  0.0007158300000000,  0.0224962200000000 ]  - [  -0.0000024300000000,  0.0001168100000000, -0.0046710600000000 ]  - [   0.0061155400000000, -0.0035308100000000, -0.0033522700000000 ]  - [  -0.0000003000000000,  0.0000001700000000, -0.0051937800000000 ]  - [   0.0016285400000000, -0.0009402400000000, -0.0074707700000000 ]  - [   0.0000512100000000, -0.0000295700000000, -0.0052066500000000 ]  - [   0.0000060500000000, -0.0000034900000000, -0.0059285900000000 ]  - [   0.0043978400000000, -0.0025390900000000,  0.0072231600000000 ]  - [  -0.0044901400000000,  0.0025923800000000, -0.0035567700000000 ]  - [  -0.0000337200000000,  0.0000194700000000, -0.0052816200000000 ]  - [  -0.0000156700000000,  0.0000090400000000, -0.0047486700000000 ]  - [   0.0011910100000000, -0.0006876300000000,  0.0054886500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0763122400000000, -0.0440588900000000,  0.1637642600000000 ]  - [   0.0000897100000000,  0.0032719900000000,  0.0158190000000000 ]  - [  -0.0027887700000000, -0.0017136800000000,  0.0158190000000000 ]  - [  -0.0004549200000000, -0.0002634600000000, -0.0032569400000000 ]  - [   0.0001208500000000, -0.0004467300000000, -0.0033290900000000 ]  - [   0.0004581200000000, -0.0002645000000000, -0.0032620500000000 ]  - [   0.0000007100000000,  0.0005257100000000, -0.0032569400000000 ]  - [   0.0005437600000000, -0.0003139400000000, -0.0031133100000000 ]  - [  -0.0006528100000000,  0.0007187400000000, -0.0034094300000000 ]  - [   0.0004473100000000,  0.0001187000000000, -0.0033290900000000 ]  - [  -0.0004349200000000,  0.0002511000000000, -0.0030995900000000 ]  - [  -0.0009488500000000,  0.0002059800000000, -0.0034094300000000 ]  - [  -0.0006375500000000,  0.0003680900000000,  0.0050999700000000 ]  - [   0.0102080600000000,  0.0086209400000000, -0.0083371200000000 ]  - [  -0.0023619200000000, -0.0131509100000000, -0.0083371200000000 ]  - [  -0.0006816300000000,  0.0126267700000000, -0.0110662700000000 ]  - [  -0.0001543600000000, -0.0000789300000000, -0.0033476100000000 ]  - [   0.0001530500000000, -0.0000883700000000, -0.0033392000000000 ]  - [  -0.0000088200000000,  0.0001731500000000, -0.0033476100000000 ]  - [   0.0001409300000000, -0.0000813700000000, -0.0035004300000000 ]  - [  -0.0001541400000000, -0.0000652100000000, -0.0033257500000000 ]  - [   0.0001743300000000,  0.0005275100000000, -0.0027062900000000 ]  - [  -0.0005781200000000,  0.0003337800000000, -0.0054670300000000 ]  - [  -0.0000205900000000,  0.0001660900000000, -0.0033257500000000 ]  - [   0.0000164100000000,  0.0000168000000000, -0.0032296700000000 ]  - [  -0.0010394500000000,  0.0006001300000000,  0.0040681500000000 ]  - [   0.0006722700000000, -0.0003881400000000, -0.0036888900000000 ]  - [  -0.0001639100000000,  0.0000946400000000, -0.0038172500000000 ]  - [  -0.0000009700000000,  0.0000005600000000, -0.0036568300000000 ]  - [  -0.0001575600000000,  0.0000909700000000,  0.0159484100000000 ]  - [   0.0000062700000000, -0.0000036200000000, -0.0040033700000000 ]  - [  -0.0156216000000000,  0.0090191400000000, -0.0150082800000000 ]  - [   0.0000224700000000, -0.0000129700000000, -0.0039871100000000 ]  - [   0.0002937900000000, -0.0001696200000000, -0.0031295900000000 ]  - [  -0.0112759200000000, -0.0057230800000000, -0.0110662700000000 ]  - [   0.0000033100000000, -0.0000019100000000, -0.0032333500000000 ]  - [  -0.0000063500000000, -0.0000226100000000, -0.0032296700000000 ]  - [  -0.0003696700000000, -0.0004147300000000, -0.0027062900000000 ]  - [  -0.0145717000000000,  0.0084129800000000, -0.0383857600000000 ]  - [  -0.0000026800000000,  0.0000015500000000,  0.0053372600000000 ]  - [  -0.0000755800000000,  0.0000436400000000,  0.0053432300000000 ]  - [   0.0024601000000000, -0.0014203400000000,  0.0045410100000000 ]  - [   0.0001937500000000, -0.0001118600000000,  0.0042217300000000 ]  - [   0.0005887200000000,  0.0006023000000000,  0.0048101800000000 ]  - [  -0.0002272500000000, -0.0008110000000000,  0.0048101800000000 ]  - [   0.0001098200000000,  0.0000329100000000,  0.0045141100000000 ]  - [  -0.0293341200000000, -0.0137697800000000, -0.0490468000000000 ]  - [  -0.0001120700000000,  0.0000647000000000,  0.0050527200000000 ]  - [   0.0000264100000000, -0.0001115600000000,  0.0045141100000000 ]  - [  -0.0000844900000000,  0.0000487800000000,  0.0046307600000000 ]  - [   0.0000837500000000,  0.0000478400000000,  0.0046275000000000 ]  - [  -0.0027420800000000,  0.0322889800000000, -0.0490468000000000 ]  - [   0.0012119900000000, -0.0006997400000000, -0.0223563200000000 ]  - [   0.0000004400000000, -0.0000964500000000,  0.0046275000000000 ]  - [  -0.0060753800000000,  0.0035076200000000,  0.0033763600000000 ]  - [   0.0000010600000000, -0.0000006100000000,  0.0051846100000000 ]  - [  -0.0016129100000000,  0.0009312100000000,  0.0074694700000000 ]  - [  -0.0000556200000000,  0.0000321100000000,  0.0052134600000000 ]  - [  -0.0000068400000000,  0.0000039500000000,  0.0059284400000000 ]  - [  -0.0044229900000000,  0.0025536200000000, -0.0073176700000000 ]  - [   0.0044565900000000, -0.0025730100000000,  0.0035756400000000 ]  - [   0.0000353200000000, -0.0000203900000000,  0.0052795800000000 ]  - [   0.0000157900000000, -0.0000091200000000,  0.0047486300000000 ]  - [  -0.0010107900000000,  0.0005835800000000, -0.0058493000000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001149400000000,  0.0006901100000000,  0.0006470100000000 ]  - [   0.0075198300000000,  0.0055264400000000, -0.0127271400000000 ]  - [  -0.0025392100000000, -0.0013089300000000, -0.0023015000000000 ]  - [   0.0000324100000000,  0.0000158300000000,  0.0001803600000000 ]  - [   0.0000415200000000,  0.0006216300000000,  0.0005243000000000 ]  - [  -0.0000291500000000,  0.0000167500000000,  0.0001778200000000 ]  - [   0.0000017600000000, -0.0000367300000000,  0.0001698900000000 ]  - [  -0.0001639800000000,  0.0000181200000000,  0.0001201600000000 ]  - [   0.0001458900000000,  0.0000036000000000,  0.0001317700000000 ]  - [  -0.0009399300000000, -0.0001645100000000,  0.0001605700000000 ]  - [   0.0014697800000000, -0.0000941300000000,  0.0005569100000000 ]  - [   0.0000156100000000, -0.0000859000000000,  0.0001127400000000 ]  - [  -0.2102387600000000,  0.0614885500000000, -0.0056270900000000 ]  - [   0.0093873700000000, -0.0262313100000000, -0.0018026600000000 ]  - [   0.0518942700000000,  0.0015557800000000, -0.0023605300000000 ]  - [   0.0012548000000000,  0.0000449200000000,  0.0001733300000000 ]  - [   0.0000081900000000,  0.0000037000000000,  0.0001730200000000 ]  - [  -0.0000078100000000,  0.0000035000000000,  0.0001727200000000 ]  - [   0.0000000900000000, -0.0000086800000000,  0.0001728100000000 ]  - [  -0.0000190100000000,  0.0000074600000000,  0.0001456300000000 ]  - [   0.0000205600000000,  0.0000077000000000,  0.0001422100000000 ]  - [  -0.0034393700000000,  0.0009206400000000,  0.0014196200000000 ]  - [   0.0007711200000000, -0.0007564300000000, -0.0012572700000000 ]  - [  -0.0000000500000000, -0.0000192100000000,  0.0001339700000000 ]  - [   0.0000304600000000,  0.0000678000000000,  0.0001954200000000 ]  - [  -0.0008847700000000,  0.0001480600000000,  0.0000489400000000 ]  - [  -0.0000056000000000,  0.0000499900000000,  0.0002131700000000 ]  - [  -0.0001662700000000, -0.0005568300000000, -0.0004337000000000 ]  - [  -0.0000007100000000,  0.0000030000000000,  0.0001892800000000 ]  - [   0.0068482200000000, -0.0057549100000000,  0.0168440400000000 ]  - [   0.0000007800000000,  0.0000023400000000,  0.0001979900000000 ]  - [   0.0072044700000000,  0.0187565500000000, -0.0009713300000000 ]  - [   0.0000001400000000,  0.0000044900000000,  0.0001878900000000 ]  - [   0.0039387300000000, -0.0037140000000000,  0.0078889200000000 ]  - [   0.0000196300000000, -0.0010510000000000,  0.0010830300000000 ]  - [   0.0000790800000000, -0.0000112800000000,  0.0001427700000000 ]  - [  -0.0000872300000000, -0.0000389200000000,  0.0001654600000000 ]  - [   0.0031493700000000,  0.0028296600000000, -0.0092328000000000 ]  - [  -0.0006763700000000,  0.0034077600000000,  0.0026183300000000 ]  - [  -0.0000058600000000,  0.0000145100000000, -0.0002564400000000 ]  - [  -0.0001273100000000, -0.0000872500000000, -0.0001861400000000 ]  - [  -0.0000395700000000,  0.0002673200000000, -0.0005446500000000 ]  - [   0.0035078800000000,  0.0000140000000000, -0.0007149900000000 ]  - [   0.0008202900000000,  0.0025156000000000, -0.0014422500000000 ]  - [  -0.0037890100000000, -0.0005929400000000,  0.0002120400000000 ]  - [   0.0000362100000000,  0.0000108100000000, -0.0001966600000000 ]  - [   0.0105928600000000, -0.0065375200000000,  0.0000983600000000 ]  - [  -0.0000339300000000,  0.0000081200000000, -0.0002052200000000 ]  - [  -0.0000029300000000, -0.0000319200000000, -0.0001682700000000 ]  - [   0.0000104700000000, -0.0000083100000000, -0.0002402100000000 ]  - [  -0.0000099900000000, -0.0000069000000000, -0.0002390300000000 ]  - [   0.0171556200000000, -0.0012755000000000,  0.0008717200000000 ]  - [  -0.0078065600000000,  0.0023991900000000, -0.0014532200000000 ]  - [  -0.0000030100000000,  0.0000128000000000, -0.0002404000000000 ]  - [   0.0716472000000000, -0.0364806600000000,  0.0276878500000000 ]  - [  -0.0000009300000000,  0.0000008300000000, -0.0002479200000000 ]  - [  -0.0007957200000000, -0.0047784200000000, -0.0011987600000000 ]  - [   0.0000027700000000, -0.0000032400000000, -0.0002273700000000 ]  - [   0.0000005600000000, -0.0000411700000000, -0.0000618800000000 ]  - [   0.0003488700000000, -0.0006388200000000, -0.0042486100000000 ]  - [   0.0335397600000000, -0.0105102600000000, -0.0156575900000000 ]  - [  -0.0000011500000000,  0.0000029900000000, -0.0002469600000000 ]  - [   0.0000204800000000,  0.0000291100000000, -0.0002469700000000 ]  - [   0.0001822300000000, -0.0006440100000000,  0.0007775000000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000993900000000, -0.0007211800000000, -0.0006273900000000 ]  - [  -0.0075414200000000, -0.0054393800000000,  0.0126270000000000 ]  - [   0.0024880300000000,  0.0013983400000000,  0.0024501600000000 ]  - [  -0.0000136100000000, -0.0000044500000000, -0.0001259000000000 ]  - [  -0.0000474000000000, -0.0006354200000000, -0.0005688200000000 ]  - [   0.0000146300000000, -0.0000084700000000, -0.0001254700000000 ]  - [  -0.0000026100000000,  0.0000105900000000, -0.0001192000000000 ]  - [   0.0001775700000000, -0.0000262300000000, -0.0001653000000000 ]  - [  -0.0001630600000000, -0.0000143800000000, -0.0001800300000000 ]  - [   0.0009549900000000,  0.0001761800000000, -0.0001921800000000 ]  - [  -0.0014768700000000,  0.0000910300000000, -0.0006079800000000 ]  - [  -0.0000146800000000,  0.0001108500000000, -0.0001573400000000 ]  - [   0.2090605800000000, -0.0593025400000000,  0.0031573600000000 ]  - [  -0.0093317100000000,  0.0262464000000000,  0.0018285700000000 ]  - [  -0.0523870300000000, -0.0015276900000000,  0.0023692800000000 ]  - [  -0.0012540300000000, -0.0000401000000000, -0.0001712500000000 ]  - [  -0.0000099200000000, -0.0000041500000000, -0.0001371700000000 ]  - [   0.0000096300000000, -0.0000045400000000, -0.0001377400000000 ]  - [  -0.0000005800000000,  0.0000092300000000, -0.0001382200000000 ]  - [   0.0000169200000000, -0.0000061600000000, -0.0001727600000000 ]  - [  -0.0000180700000000, -0.0000070700000000, -0.0001705200000000 ]  - [   0.0034252500000000, -0.0009983900000000, -0.0015752200000000 ]  - [  -0.0007604400000000,  0.0007680400000000,  0.0012488200000000 ]  - [   0.0000008300000000,  0.0000183400000000, -0.0001620400000000 ]  - [  -0.0000289500000000, -0.0000659000000000, -0.0001912800000000 ]  - [   0.0008872900000000, -0.0001552300000000, -0.0000454500000000 ]  - [   0.0000043900000000, -0.0000530900000000, -0.0002321900000000 ]  - [   0.0001711200000000,  0.0005562200000000,  0.0004121300000000 ]  - [   0.0000025700000000,  0.0000001900000000, -0.0001624600000000 ]  - [  -0.0067800200000000,  0.0057817000000000, -0.0169554200000000 ]  - [   0.0000001000000000, -0.0000005300000000, -0.0001716800000000 ]  - [  -0.0072077700000000, -0.0187047400000000,  0.0009514700000000 ]  - [  -0.0000002600000000, -0.0000060800000000, -0.0002055800000000 ]  - [  -0.0039393300000000,  0.0036573600000000, -0.0077967200000000 ]  - [  -0.0000305900000000,  0.0010519600000000, -0.0010772700000000 ]  - [  -0.0000812300000000,  0.0000119800000000, -0.0001386200000000 ]  - [   0.0000872900000000,  0.0000364900000000, -0.0001630900000000 ]  - [  -0.0031216100000000, -0.0028348500000000,  0.0092557300000000 ]  - [   0.0007126600000000, -0.0033973900000000, -0.0026178000000000 ]  - [   0.0000044600000000, -0.0000128100000000,  0.0002348300000000 ]  - [   0.0001322400000000,  0.0000877200000000,  0.0001967600000000 ]  - [   0.0000419500000000, -0.0002668800000000,  0.0005543200000000 ]  - [  -0.0034694600000000, -0.0000578300000000,  0.0007593000000000 ]  - [  -0.0008602300000000, -0.0024694800000000,  0.0014771000000000 ]  - [   0.0037521600000000,  0.0005923800000000, -0.0001940100000000 ]  - [  -0.0000168700000000, -0.0000024200000000,  0.0002373900000000 ]  - [  -0.0114526300000000,  0.0059921800000000, -0.0008632400000000 ]  - [   0.0000163100000000,  0.0000017100000000,  0.0002453200000000 ]  - [   0.0000049000000000,  0.0000108700000000,  0.0002091100000000 ]  - [   0.0000074400000000, -0.0000024700000000,  0.0001909000000000 ]  - [  -0.0000089600000000, -0.0000017400000000,  0.0001893400000000 ]  - [  -0.0171578800000000,  0.0013303000000000, -0.0009085100000000 ]  - [   0.0077705500000000, -0.0024950900000000,  0.0015345900000000 ]  - [   0.0000007800000000,  0.0000084900000000,  0.0001905500000000 ]  - [  -0.0675929200000000,  0.0337191100000000, -0.0259711900000000 ]  - [   0.0000016500000000, -0.0000024500000000,  0.0002340600000000 ]  - [   0.0008378400000000,  0.0047419300000000,  0.0011811500000000 ]  - [  -0.0000019500000000,  0.0000013300000000,  0.0002277400000000 ]  - [  -0.0000017000000000,  0.0000414400000000,  0.0000568400000000 ]  - [  -0.0003463200000000,  0.0006369700000000,  0.0042396600000000 ]  - [  -0.0351534200000000,  0.0115680400000000,  0.0172699700000000 ]  - [   0.0000007400000000, -0.0000014400000000,  0.0002406900000000 ]  - [  -0.0000214500000000, -0.0000294100000000,  0.0002416900000000 ]  - [  -0.0001905000000000,  0.0006426100000000, -0.0007828100000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002447700000000,  0.0001413200000000, -0.0050696900000000 ]  - [  -0.0113714000000000, -0.0070306500000000,  0.0083763400000000 ]  - [   0.0004030200000000,  0.0133632400000000,  0.0083763400000000 ]  - [   0.0004879900000000,  0.0002649100000000,  0.0033909600000000 ]  - [   0.0004391100000000,  0.0007073800000000,  0.0026646800000000 ]  - [  -0.0004842700000000,  0.0002795900000000,  0.0033825900000000 ]  - [   0.0000145700000000, -0.0005550600000000,  0.0033909600000000 ]  - [  -0.0004997200000000,  0.0002885100000000,  0.0034624100000000 ]  - [   0.0004763700000000,  0.0002907100000000,  0.0032892100000000 ]  - [  -0.0003930600000000, -0.0007339700000000,  0.0026646800000000 ]  - [   0.0005019200000000, -0.0002897800000000,  0.0054514700000000 ]  - [  -0.0000135800000000, -0.0005579000000000,  0.0032892100000000 ]  - [  -0.0033339700000000,  0.0019248700000000, -0.1607189300000000 ]  - [   0.0005653400000000, -0.0024394500000000, -0.0162538500000000 ]  - [   0.0023953000000000,  0.0007301200000000, -0.0162538500000000 ]  - [   0.0003451100000000,  0.0011684000000000,  0.0034039200000000 ]  - [   0.0001550200000000,  0.0000903800000000,  0.0034582800000000 ]  - [  -0.0001552200000000,  0.0000896100000000,  0.0034644400000000 ]  - [  -0.0000007600000000, -0.0001794400000000,  0.0034582800000000 ]  - [  -0.0001594900000000,  0.0000920800000000,  0.0034146900000000 ]  - [   0.0001569300000000,  0.0000807100000000,  0.0034314600000000 ]  - [  -0.0015077700000000,  0.0116436700000000,  0.0108892000000000 ]  - [  -0.0012564200000000,  0.0007253900000000, -0.0044759400000000 ]  - [   0.0000085700000000, -0.0001762600000000,  0.0034314600000000 ]  - [   0.0001507300000000,  0.0000876400000000,  0.0033596000000000 ]  - [  -0.0001340100000000,  0.0000773700000000,  0.0030413800000000 ]  - [   0.0000074900000000, -0.0000043300000000,  0.0037273700000000 ]  - [  -0.0005902500000000,  0.0003407800000000,  0.0029086400000000 ]  - [  -0.0000107300000000,  0.0000062000000000,  0.0037710400000000 ]  - [   0.0150571000000000, -0.0086932200000000,  0.0144062500000000 ]  - [   0.0000000100000000,  0.0000000000000000,  0.0041211900000000 ]  - [  -0.0003497900000000,  0.0002019500000000, -0.0185178900000000 ]  - [  -0.0000118000000000,  0.0000068100000000,  0.0041066600000000 ]  - [   0.0070898200000000, -0.0040933100000000,  0.0066753700000000 ]  - [  -0.0008393000000000, -0.0008830700000000,  0.0034039200000000 ]  - [   0.0000127700000000, -0.0000073700000000,  0.0031952100000000 ]  - [  -0.0000005400000000, -0.0001743500000000,  0.0033596000000000 ]  - [  -0.0108376000000000, -0.0045160700000000,  0.0108892000000000 ]  - [   0.0030558700000000, -0.0017643100000000, -0.0032131500000000 ]  - [  -0.0000369300000000,  0.0000213200000000, -0.0054718900000000 ]  - [  -0.0008318900000000,  0.0004802900000000, -0.0055745400000000 ]  - [  -0.0001552400000000,  0.0000896300000000, -0.0055441100000000 ]  - [  -0.0004538800000000,  0.0002620500000000, -0.0068587400000000 ]  - [   0.0042176700000000,  0.0018474700000000, -0.0032803700000000 ]  - [   0.0005088800000000, -0.0045763400000000, -0.0032803700000000 ]  - [  -0.0000766500000000, -0.0001005400000000, -0.0047522900000000 ]  - [  -0.0039733600000000, -0.0033176000000000,  0.0279625900000000 ]  - [   0.0000767500000000, -0.0000443100000000, -0.0047158000000000 ]  - [   0.0000487500000000,  0.0001166500000000, -0.0047522900000000 ]  - [   0.0001055200000000, -0.0000609200000000, -0.0047960600000000 ]  - [  -0.0001061000000000, -0.0000595800000000, -0.0047873700000000 ]  - [   0.0008864400000000,  0.0050998300000000,  0.0279625900000000 ]  - [  -0.0008349600000000,  0.0004820700000000,  0.0226903700000000 ]  - [  -0.0000014500000000,  0.0001216700000000, -0.0047873700000000 ]  - [   0.0179300800000000, -0.0103519400000000,  0.0371306100000000 ]  - [   0.0000003900000000, -0.0000002300000000, -0.0053319300000000 ]  - [  -0.0031706600000000,  0.0018305800000000,  0.0124593200000000 ]  - [  -0.0000107800000000,  0.0000062300000000, -0.0053220600000000 ]  - [   0.0000301100000000, -0.0000173800000000, -0.0058172800000000 ]  - [   0.0008760700000000, -0.0005058000000000, -0.0081527300000000 ]  - [  -0.0133662200000000,  0.0077169900000000,  0.0447811300000000 ]  - [   0.0000053900000000, -0.0000031100000000, -0.0054063500000000 ]  - [   0.0001562100000000, -0.0000901900000000, -0.0049240800000000 ]  - [  -0.0009527100000000,  0.0005500500000000, -0.0045836900000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0002596300000000, -0.0001499000000000,  0.0051564800000000 ]  - [   0.0115635100000000,  0.0071581100000000, -0.0084713600000000 ]  - [  -0.0004173500000000, -0.0135933500000000, -0.0084713600000000 ]  - [  -0.0004669300000000, -0.0002520600000000, -0.0033344100000000 ]  - [  -0.0004372600000000, -0.0007292800000000, -0.0027126000000000 ]  - [   0.0004687700000000, -0.0002706500000000, -0.0033259000000000 ]  - [  -0.0000151700000000,  0.0005304000000000, -0.0033344100000000 ]  - [   0.0005130600000000, -0.0002962200000000, -0.0035063300000000 ]  - [  -0.0004956800000000, -0.0003026000000000, -0.0033327300000000 ]  - [   0.0004129500000000,  0.0007433100000000, -0.0027126000000000 ]  - [  -0.0005148600000000,  0.0002972500000000, -0.0054737500000000 ]  - [   0.0000142100000000,  0.0005805700000000, -0.0033327300000000 ]  - [   0.0054210600000000, -0.0031298500000000,  0.1615294000000000 ]  - [  -0.0005339000000000,  0.0023862600000000,  0.0162725700000000 ]  - [  -0.0023335100000000, -0.0007307600000000,  0.0162725700000000 ]  - [  -0.0003500200000000, -0.0011721500000000, -0.0033999400000000 ]  - [  -0.0001557700000000, -0.0000901300000000, -0.0034197300000000 ]  - [   0.0001561100000000, -0.0000901300000000, -0.0034259900000000 ]  - [   0.0000001700000000,  0.0001799600000000, -0.0034197300000000 ]  - [   0.0001579200000000, -0.0000911800000000, -0.0034407100000000 ]  - [  -0.0001550900000000, -0.0000800800000000, -0.0034565000000000 ]  - [   0.0014875900000000, -0.0114364000000000, -0.0107103500000000 ]  - [   0.0012500800000000, -0.0007217400000000,  0.0043991000000000 ]  - [  -0.0000081900000000,  0.0001743500000000, -0.0034565000000000 ]  - [  -0.0001472500000000, -0.0000863700000000, -0.0033531900000000 ]  - [   0.0001395700000000, -0.0000805800000000, -0.0030327700000000 ]  - [  -0.0000074000000000,  0.0000042700000000, -0.0037426000000000 ]  - [   0.0005860700000000, -0.0003383700000000, -0.0029293400000000 ]  - [   0.0000103600000000, -0.0000059800000000, -0.0037415400000000 ]  - [  -0.0153379300000000,  0.0088553600000000, -0.0146754300000000 ]  - [  -0.0000002600000000,  0.0000001500000000, -0.0040923900000000 ]  - [   0.0003533200000000, -0.0002039900000000,  0.0185187400000000 ]  - [   0.0000124300000000, -0.0000071800000000, -0.0041209500000000 ]  - [  -0.0069779400000000,  0.0040287200000000, -0.0065889400000000 ]  - [   0.0008401000000000,  0.0008892000000000, -0.0033999400000000 ]  - [  -0.0000160100000000,  0.0000092400000000, -0.0031899800000000 ]  - [   0.0000011700000000,  0.0001707100000000, -0.0033531900000000 ]  - [   0.0106480100000000,  0.0044299100000000, -0.0107103500000000 ]  - [  -0.0030544000000000,  0.0017634600000000,  0.0031652100000000 ]  - [   0.0000343400000000, -0.0000198300000000,  0.0054476700000000 ]  - [   0.0008257600000000, -0.0004767500000000,  0.0055798500000000 ]  - [   0.0001577000000000, -0.0000910500000000,  0.0055518200000000 ]  - [   0.0004707300000000, -0.0002717800000000,  0.0068860500000000 ]  - [  -0.0041931300000000, -0.0018118700000000,  0.0033292800000000 ]  - [  -0.0005274400000000,  0.0045372900000000,  0.0033292800000000 ]  - [   0.0000969600000000,  0.0001090400000000,  0.0047904400000000 ]  - [   0.0032174000000000,  0.0028459400000000, -0.0287138900000000 ]  - [  -0.0000956500000000,  0.0000552200000000,  0.0047541300000000 ]  - [  -0.0000459600000000, -0.0001384900000000,  0.0047904400000000 ]  - [  -0.0000864700000000,  0.0000499200000000,  0.0047416000000000 ]  - [   0.0000854200000000,  0.0000500400000000,  0.0047325100000000 ]  - [  -0.0008559600000000, -0.0042093200000000, -0.0287138900000000 ]  - [   0.0008385900000000, -0.0004841600000000, -0.0228772700000000 ]  - [  -0.0000006200000000, -0.0000989900000000,  0.0047325100000000 ]  - [  -0.0178654800000000,  0.0103146400000000, -0.0372986000000000 ]  - [   0.0000010800000000, -0.0000006200000000,  0.0053127800000000 ]  - [   0.0031545400000000, -0.0018212800000000, -0.0123146600000000 ]  - [   0.0000063800000000, -0.0000036800000000,  0.0053189600000000 ]  - [  -0.0000309500000000,  0.0000178700000000,  0.0058084500000000 ]  - [  -0.0008838500000000,  0.0005102900000000,  0.0081566700000000 ]  - [   0.0120268800000000, -0.0069437200000000, -0.0438750900000000 ]  - [  -0.0000041200000000,  0.0000023800000000,  0.0053949500000000 ]  - [  -0.0001550700000000,  0.0000895300000000,  0.0049154100000000 ]  - [   0.0009577100000000, -0.0005529300000000,  0.0045748100000000 ]- atom:   16  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0026590500000000, -0.0009853100000000,  0.0006370000000000 ]  - [   0.0038579100000000, -0.0052426100000000, -0.0104778200000000 ]  - [   0.0006961100000000,  0.0003320900000000, -0.0010026900000000 ]  - [  -0.0000079500000000,  0.0000028300000000,  0.0000196600000000 ]  - [  -0.0000014900000000,  0.0000045600000000, -0.0000027800000000 ]  - [   0.0000119800000000, -0.0000004200000000,  0.0000175700000000 ]  - [  -0.0000014900000000,  0.0000045600000000,  0.0000027800000000 ]  - [  -0.0026590500000000, -0.0009853100000000, -0.0006370000000000 ]  - [   0.0006961100000000,  0.0003320900000000,  0.0010026900000000 ]  - [  -0.0000079500000000,  0.0000028300000000, -0.0000196600000000 ]  - [   0.0000119800000000, -0.0000004200000000, -0.0000175700000000 ]  - [   0.0038579100000000, -0.0052426100000000,  0.0104778200000000 ]  - [   0.0012577400000000, -0.0003412700000000,  0.0003657200000000 ]  - [  -0.0002302300000000,  0.0009078200000000,  0.0012080600000000 ]  - [  -0.0008894200000000, -0.0001555400000000,  0.0001539400000000 ]  - [  -0.2230525100000000, -0.0927636600000000,  0.0000000000000000 ]  - [   0.0000795600000000,  0.0000117700000000,  0.0000300800000000 ]  - [  -0.0000871600000000, -0.0000008300000000,  0.0000172500000000 ]  - [  -0.0000040300000000, -0.0000855400000000,  0.0001660100000000 ]  - [   0.0012577400000000, -0.0003412700000000, -0.0003657200000000 ]  - [  -0.0008894200000000, -0.0001555400000000, -0.0001539400000000 ]  - [   0.0000795600000000,  0.0000117700000000, -0.0000300800000000 ]  - [  -0.0000871600000000, -0.0000008300000000, -0.0000172500000000 ]  - [  -0.0002302300000000,  0.0009078200000000, -0.0012080600000000 ]  - [   0.0000014400000000,  0.0000056700000000,  0.0000000000000000 ]  - [   0.0600493200000000, -0.0021410500000000,  0.0000000000000000 ]  - [   0.0060057800000000,  0.0042236600000000, -0.0104653000000000 ]  - [   0.0000005800000000, -0.0000091800000000, -0.0000420500000000 ]  - [   0.0000005800000000, -0.0000091800000000,  0.0000420500000000 ]  - [   0.0060057800000000,  0.0042236600000000,  0.0104653000000000 ]  - [   0.0000174400000000,  0.0000414900000000, -0.0001775000000000 ]  - [  -0.0000217500000000, -0.0007644900000000, -0.0015132200000000 ]  - [  -0.0000217500000000, -0.0007644900000000,  0.0015132200000000 ]  - [   0.0000174400000000,  0.0000414900000000,  0.0001775000000000 ]  - [   0.0108619700000000,  0.0306266500000000,  0.0000000000000000 ]  - [   0.0000047900000000, -0.0000003300000000,  0.0000000000000000 ]  - [  -0.0000059400000000, -0.0000026500000000,  0.0000000000000000 ]  - [  -0.0000040300000000, -0.0000855400000000, -0.0001660100000000 ]  - [   0.0147080900000000,  0.0001782700000000, -0.0027602800000000 ]  - [  -0.0000032800000000, -0.0000057500000000, -0.0000058300000000 ]  - [  -0.0000032800000000, -0.0000057500000000,  0.0000058300000000 ]  - [   0.0147080900000000,  0.0001782700000000,  0.0027602800000000 ]  - [   0.0000944100000000, -0.0000184400000000,  0.0000203000000000 ]  - [  -0.0000018800000000,  0.0000714600000000, -0.0000137700000000 ]  - [  -0.0000957300000000, -0.0000167900000000,  0.0000223300000000 ]  - [  -0.0054355900000000, -0.0003257400000000, -0.0003138100000000 ]  - [  -0.0004543600000000,  0.0034834100000000, -0.0024304600000000 ]  - [   0.0052600600000000, -0.0007095000000000,  0.0002519300000000 ]  - [  -0.0004543600000000,  0.0034834100000000,  0.0024304600000000 ]  - [   0.0000944100000000, -0.0000184400000000, -0.0000203000000000 ]  - [  -0.0000957300000000, -0.0000167900000000, -0.0000223300000000 ]  - [  -0.0054355900000000, -0.0003257400000000,  0.0003138100000000 ]  - [   0.0052600600000000, -0.0007095000000000, -0.0002519300000000 ]  - [  -0.0000018800000000,  0.0000714600000000,  0.0000137700000000 ]  - [  -0.0000060700000000, -0.0005454400000000,  0.0005570600000000 ]  - [   0.0000051400000000, -0.0000763900000000, -0.0004278700000000 ]  - [   0.0000051400000000, -0.0000763900000000,  0.0004278700000000 ]  - [  -0.0000060700000000, -0.0005454400000000, -0.0005570600000000 ]  - [  -0.0000010400000000, -0.0000009100000000,  0.0000000000000000 ]  - [   0.1060124300000000,  0.0557556200000000,  0.0000000000000000 ]  - [   0.0000155200000000,  0.0003119500000000, -0.0003983500000000 ]  - [   0.0000155200000000,  0.0003119500000000,  0.0003983500000000 ]  - [   0.0000001300000000,  0.0000022300000000,  0.0000000000000000 ]  - [   0.0019047600000000,  0.0079462900000000,  0.0000000000000000 ]- atom:   16  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0026431200000000,  0.0010791700000000, -0.0007095500000000 ]  - [  -0.0037744600000000,  0.0052638600000000,  0.0105378100000000 ]  - [  -0.0007172600000000, -0.0003631000000000,  0.0010759400000000 ]  - [   0.0000277500000000,  0.0000096100000000,  0.0000289200000000 ]  - [   0.0000009300000000, -0.0000276600000000, -0.0000457500000000 ]  - [  -0.0000258800000000,  0.0000088300000000,  0.0000304300000000 ]  - [   0.0000009300000000, -0.0000276600000000,  0.0000457500000000 ]  - [   0.0026431200000000,  0.0010791700000000,  0.0007095500000000 ]  - [  -0.0007172600000000, -0.0003631000000000, -0.0010759400000000 ]  - [   0.0000277500000000,  0.0000096100000000, -0.0000289200000000 ]  - [  -0.0000258800000000,  0.0000088300000000, -0.0000304300000000 ]  - [  -0.0037744600000000,  0.0052638600000000, -0.0105378100000000 ]  - [  -0.0012506000000000,  0.0003421100000000, -0.0003298000000000 ]  - [   0.0002382900000000, -0.0008960300000000, -0.0011668200000000 ]  - [   0.0008831700000000,  0.0001476700000000, -0.0001201800000000 ]  - [   0.2193255200000000,  0.0897047900000000,  0.0000000000000000 ]  - [  -0.0000802500000000, -0.0000116000000000,  0.0000009900000000 ]  - [   0.0000879200000000,  0.0000003900000000,  0.0000153100000000 ]  - [   0.0000035500000000,  0.0000864500000000, -0.0001339500000000 ]  - [  -0.0012506000000000,  0.0003421100000000,  0.0003298000000000 ]  - [   0.0008831700000000,  0.0001476700000000,  0.0001201800000000 ]  - [  -0.0000802500000000, -0.0000116000000000, -0.0000009900000000 ]  - [   0.0000879200000000,  0.0000003900000000, -0.0000153100000000 ]  - [   0.0002382900000000, -0.0008960300000000,  0.0011668200000000 ]  - [   0.0000012400000000, -0.0000042700000000,  0.0000000000000000 ]  - [  -0.0606383900000000,  0.0021309400000000,  0.0000000000000000 ]  - [  -0.0059921400000000, -0.0041568200000000,  0.0102715800000000 ]  - [  -0.0000008200000000,  0.0000094500000000,  0.0000200700000000 ]  - [  -0.0000008200000000,  0.0000094500000000, -0.0000200700000000 ]  - [  -0.0059921400000000, -0.0041568200000000, -0.0102715800000000 ]  - [  -0.0000179100000000, -0.0000406000000000,  0.0001975600000000 ]  - [   0.0000091900000000,  0.0007651600000000,  0.0015222700000000 ]  - [   0.0000091900000000,  0.0007651600000000, -0.0015222700000000 ]  - [  -0.0000179100000000, -0.0000406000000000, -0.0001975600000000 ]  - [  -0.0108770100000000, -0.0307642300000000,  0.0000000000000000 ]  - [  -0.0000077000000000,  0.0000022700000000,  0.0000000000000000 ]  - [   0.0000066000000000,  0.0000001100000000,  0.0000000000000000 ]  - [   0.0000035500000000,  0.0000864500000000,  0.0001339500000000 ]  - [  -0.0157273600000000, -0.0008207600000000,  0.0037347000000000 ]  - [   0.0000014000000000,  0.0000072400000000, -0.0000101700000000 ]  - [   0.0000014000000000,  0.0000072400000000,  0.0000101700000000 ]  - [  -0.0157273600000000, -0.0008207600000000, -0.0037347000000000 ]  - [  -0.0000754800000000,  0.0000080300000000,  0.0000244300000000 ]  - [  -0.0000001500000000, -0.0000492600000000,  0.0000588300000000 ]  - [   0.0000754100000000,  0.0000079200000000,  0.0000230100000000 ]  - [   0.0054194200000000,  0.0003027400000000,  0.0003590700000000 ]  - [   0.0004934900000000, -0.0034672800000000,  0.0023582500000000 ]  - [  -0.0052406900000000,  0.0007307200000000, -0.0002116600000000 ]  - [   0.0004934900000000, -0.0034672800000000, -0.0023582500000000 ]  - [  -0.0000754800000000,  0.0000080300000000, -0.0000244300000000 ]  - [   0.0000754100000000,  0.0000079200000000, -0.0000230100000000 ]  - [   0.0054194200000000,  0.0003027400000000, -0.0003590700000000 ]  - [  -0.0052406900000000,  0.0007307200000000,  0.0002116600000000 ]  - [  -0.0000001500000000, -0.0000492600000000, -0.0000588300000000 ]  - [   0.0000015500000000,  0.0005444700000000, -0.0005581700000000 ]  - [  -0.0000056200000000,  0.0000754500000000,  0.0004154700000000 ]  - [  -0.0000056200000000,  0.0000754500000000, -0.0004154700000000 ]  - [   0.0000015500000000,  0.0005444700000000,  0.0005581700000000 ]  - [  -0.0000001700000000,  0.0000011700000000,  0.0000000000000000 ]  - [  -0.0998525000000000, -0.0516842300000000,  0.0000000000000000 ]  - [  -0.0000136500000000, -0.0003102500000000,  0.0003949000000000 ]  - [  -0.0000136500000000, -0.0003102500000000, -0.0003949000000000 ]  - [   0.0000000600000000, -0.0000023100000000,  0.0000000000000000 ]  - [  -0.0018835900000000, -0.0078760000000000,  0.0000000000000000 ]- atom:   16  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0009086700000000, -0.0128742900000000,  0.0110944300000000 ]  - [  -0.0106951300000000,  0.0072240800000000,  0.0110944300000000 ]  - [   0.0005551500000000,  0.0003205200000000, -0.0040427900000000 ]  - [   0.0004661000000000,  0.0002691000000000,  0.0032572900000000 ]  - [  -0.0000081800000000,  0.0005220600000000,  0.0032057700000000 ]  - [  -0.0004662600000000,  0.0002783300000000,  0.0032522400000000 ]  - [   0.0000079100000000, -0.0005429500000000,  0.0032522400000000 ]  - [  -0.0008744800000000,  0.0126539200000000,  0.0108610400000000 ]  - [  -0.0005710600000000, -0.0003297000000000, -0.0040490400000000 ]  - [  -0.0004448100000000, -0.0002568100000000,  0.0032108400000000 ]  - [   0.0004480300000000, -0.0002681100000000,  0.0032057700000000 ]  - [   0.0105213800000000, -0.0070842800000000,  0.0108610400000000 ]  - [   0.0001701100000000, -0.0011508600000000,  0.0034172300000000 ]  - [  -0.0009116200000000,  0.0007227500000000,  0.0034172300000000 ]  - [  -0.0000450900000000, -0.0000260300000000,  0.0030495100000000 ]  - [   0.0014744000000000,  0.0008512500000000, -0.1285899700000000 ]  - [   0.0001396300000000,  0.0000806200000000,  0.0032086600000000 ]  - [  -0.0001632900000000,  0.0001274300000000,  0.0033709400000000 ]  - [   0.0000287100000000, -0.0002051300000000,  0.0033709400000000 ]  - [  -0.0001738300000000,  0.0011444100000000,  0.0033863600000000 ]  - [   0.0000496100000000,  0.0000286400000000,  0.0030240600000000 ]  - [  -0.0001416400000000, -0.0000817800000000,  0.0031775000000000 ]  - [   0.0001658300000000, -0.0001297400000000,  0.0033415600000000 ]  - [   0.0009041700000000, -0.0007227500000000,  0.0033863600000000 ]  - [   0.0000006100000000, -0.0000004400000000,  0.0031813600000000 ]  - [   0.0000164200000000,  0.0000008500000000, -0.0151991500000000 ]  - [  -0.0078792400000000, -0.0045490800000000,  0.0078509000000000 ]  - [   0.0000094400000000,  0.0000054500000000,  0.0036019600000000 ]  - [  -0.0000093300000000, -0.0000053900000000,  0.0036260900000000 ]  - [   0.0080022100000000,  0.0046200800000000,  0.0079796800000000 ]  - [  -0.0000251100000000, -0.0000145000000000,  0.0039702100000000 ]  - [   0.0012762100000000,  0.0007368200000000,  0.0043083600000000 ]  - [  -0.0012650400000000, -0.0007303700000000,  0.0042811300000000 ]  - [   0.0000252600000000,  0.0000145800000000,  0.0039482000000000 ]  - [   0.0000089400000000,  0.0000137900000000, -0.0151991500000000 ]  - [  -0.0000000800000000,  0.0000007500000000,  0.0031813600000000 ]  - [  -0.0000003600000000, -0.0000002100000000,  0.0031823200000000 ]  - [  -0.0000294400000000,  0.0002084800000000,  0.0033415600000000 ]  - [  -0.0004026500000000, -0.0002324700000000,  0.0326532500000000 ]  - [  -0.0000021700000000, -0.0000012500000000, -0.0052691700000000 ]  - [   0.0000010600000000,  0.0000006100000000, -0.0052532400000000 ]  - [  -0.0006346800000000, -0.0003664300000000,  0.0317284700000000 ]  - [  -0.0000908800000000,  0.0000207700000000, -0.0045528300000000 ]  - [  -0.0000274500000000, -0.0000890900000000, -0.0045528300000000 ]  - [   0.0000927400000000,  0.0000535400000000, -0.0045683400000000 ]  - [  -0.0007282500000000, -0.0004204600000000, -0.0032161200000000 ]  - [  -0.0035720900000000,  0.0011583900000000, -0.0037494900000000 ]  - [   0.0007534100000000,  0.0036693400000000, -0.0037238400000000 ]  - [   0.0035544500000000, -0.0011822000000000, -0.0037238400000000 ]  - [   0.0001070400000000, -0.0000309500000000, -0.0045953700000000 ]  - [  -0.0001095800000000, -0.0000632700000000, -0.0046114600000000 ]  - [   0.0007562900000000,  0.0004366400000000, -0.0032400900000000 ]  - [  -0.0007828500000000, -0.0036727100000000, -0.0037494900000000 ]  - [   0.0000267200000000,  0.0001081700000000, -0.0045953700000000 ]  - [   0.0002263500000000,  0.0001306800000000, -0.0047214500000000 ]  - [  -0.0001279300000000, -0.0000738600000000, -0.0051815700000000 ]  - [   0.0001279100000000,  0.0000738500000000, -0.0051736800000000 ]  - [  -0.0002264400000000, -0.0001307400000000, -0.0047179600000000 ]  - [  -0.0000004300000000, -0.0000002500000000, -0.0057991800000000 ]  - [  -0.0004062100000000, -0.0002345300000000,  0.0291730700000000 ]  - [  -0.0000727500000000, -0.0000420000000000, -0.0051935600000000 ]  - [   0.0000737500000000,  0.0000425800000000, -0.0051953000000000 ]  - [   0.0000000700000000,  0.0000000400000000, -0.0046823300000000 ]  - [  -0.0000102300000000, -0.0000059100000000,  0.0216932500000000 ]- atom:   27  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001698500000000,  0.0004552300000000, -0.0006461100000000 ]  - [   0.0006217100000000,  0.0000103100000000,  0.0000240200000000 ]  - [  -0.0001853000000000, -0.0004678400000000,  0.0006932400000000 ]  - [   0.0000341700000000,  0.0000001500000000,  0.0001885500000000 ]  - [   0.0000027200000000, -0.0000107400000000, -0.0000253900000000 ]  - [   0.0000175600000000,  0.0000093100000000, -0.0001416400000000 ]  - [   0.0000336500000000, -0.0000128200000000,  0.0000226700000000 ]  - [   0.0076918400000000,  0.0191700400000000, -0.0001707200000000 ]  - [   0.0076643400000000, -0.0191596300000000,  0.0001366500000000 ]  - [   0.0000110000000000,  0.0000052400000000, -0.0000242100000000 ]  - [  -0.0000069200000000,  0.0000058500000000, -0.0000232200000000 ]  - [   0.0408782800000000,  0.0000164400000000, -0.0000312900000000 ]  - [  -0.0000060000000000,  0.0000521100000000,  0.0000223600000000 ]  - [   0.0000844500000000, -0.0000012100000000,  0.0000148800000000 ]  - [  -0.0000045700000000, -0.0000515300000000,  0.0000070700000000 ]  - [   0.0060049600000000,  0.0041733700000000, -0.0079048800000000 ]  - [  -0.0001710900000000,  0.0005573900000000, -0.0005724200000000 ]  - [  -0.0001665500000000, -0.0005559200000000,  0.0006032900000000 ]  - [  -0.0011329900000000,  0.0000006100000000,  0.0000103800000000 ]  - [   0.0067948600000000, -0.0057873000000000, -0.0152779600000000 ]  - [   0.0068339900000000,  0.0057495500000000,  0.0151152600000000 ]  - [  -0.0000019800000000, -0.0000012600000000, -0.0000054300000000 ]  - [  -0.0000010300000000,  0.0000009600000000, -0.0000265500000000 ]  - [  -0.0031765600000000, -0.0000246300000000,  0.0000161300000000 ]  - [   0.0000184100000000,  0.0000007300000000, -0.0000002400000000 ]  - [   0.0059949800000000, -0.0042094600000000,  0.0079725800000000 ]  - [  -0.1804253000000000, -0.0017221700000000,  0.0017251700000000 ]  - [  -0.0000035200000000, -0.0000014900000000, -0.0000118100000000 ]  - [  -0.0000530100000000,  0.0000019000000000,  0.0000099600000000 ]  - [  -0.0003497600000000,  0.0000020500000000,  0.0000094800000000 ]  - [   0.0012951300000000, -0.0000008700000000,  0.0000113600000000 ]  - [  -0.0001322600000000,  0.0000004600000000,  0.0000100900000000 ]  - [   0.0006354700000000,  0.0000103800000000, -0.0000227600000000 ]  - [  -0.0000011600000000, -0.0000003300000000, -0.0000117600000000 ]  - [  -0.0012595800000000, -0.0000187200000000, -0.0000145300000000 ]  - [  -0.0000005600000000,  0.0000101900000000,  0.0000101600000000 ]  - [   0.0000010800000000, -0.0000108100000000, -0.0000116900000000 ]  - [   0.0000004400000000,  0.0000010000000000, -0.0000164000000000 ]  - [  -0.0038833700000000,  0.0000001700000000,  0.0000018800000000 ]  - [  -0.0000944400000000,  0.0000011000000000, -0.0000070300000000 ]  - [  -0.0000064100000000,  0.0000004400000000,  0.0000091200000000 ]  - [  -0.0051392900000000,  0.0000455400000000, -0.0000301200000000 ]  - [   0.0000084900000000, -0.0000017800000000,  0.0000220800000000 ]  - [   0.0000037400000000,  0.0000098400000000,  0.0000227200000000 ]  - [  -0.0000094800000000, -0.0000067600000000,  0.0000234000000000 ]  - [   0.0432352000000000,  0.0156929600000000, -0.0214559200000000 ]  - [   0.0004184100000000, -0.0000103700000000, -0.0000217100000000 ]  - [   0.0409597000000000, -0.0141109200000000,  0.0197368600000000 ]  - [   0.0162975500000000,  0.0001630800000000,  0.0000906600000000 ]  - [   0.0000005700000000,  0.0002407500000000,  0.0002752800000000 ]  - [  -0.0000136000000000, -0.0002503900000000, -0.0003160400000000 ]  - [   0.0000086500000000, -0.0002369300000000, -0.0000508900000000 ]  - [  -0.0000094300000000,  0.0002465600000000,  0.0000087500000000 ]  - [   0.0004189100000000,  0.0000095100000000, -0.0000219400000000 ]  - [  -0.0000422700000000,  0.0000011400000000, -0.0000026300000000 ]  - [  -0.0000843000000000,  0.0000014100000000,  0.0000014400000000 ]  - [  -0.0000133800000000, -0.0000002200000000,  0.0000056000000000 ]  - [  -0.0077047700000000,  0.0000116900000000,  0.0000126900000000 ]  - [   0.0000044600000000,  0.0000000900000000,  0.0000012900000000 ]  - [   0.0138395600000000,  0.0000230200000000,  0.0000497200000000 ]  - [   0.0000216600000000, -0.0000003800000000,  0.0000014300000000 ]  - [   0.0055553400000000, -0.0000088100000000, -0.0000050100000000 ]  - [   0.0000170400000000, -0.0000001500000000,  0.0000009400000000 ]  - [  -0.0011596500000000, -0.0000171200000000, -0.0000168600000000 ]- atom:   27  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0012977500000000, -0.0007492600000000,  0.0037051900000000 ]  - [   0.0000000000000000,  0.0014985100000000,  0.0037051900000000 ]  - [  -0.0012977500000000, -0.0007492600000000,  0.0037051900000000 ]  - [   0.0007411900000000,  0.0004279300000000,  0.0038330300000000 ]  - [   0.0000000000000000,  0.0005891600000000,  0.0036474300000000 ]  - [  -0.0007411900000000,  0.0004279300000000,  0.0038330300000000 ]  - [   0.0000000000000000, -0.0008558500000000,  0.0038330300000000 ]  - [   0.0015541700000000, -0.0008973000000000, -0.0159807900000000 ]  - [  -0.0015541700000000, -0.0008973000000000, -0.0159807900000000 ]  - [  -0.0005102300000000, -0.0002945800000000,  0.0036474300000000 ]  - [   0.0005102300000000, -0.0002945800000000,  0.0036474300000000 ]  - [   0.0000000000000000,  0.0017946000000000, -0.0159807900000000 ]  - [   0.0002229100000000, -0.0001287000000000,  0.0037524400000000 ]  - [   0.0000000000000000,  0.0002574000000000,  0.0037524400000000 ]  - [  -0.0002229100000000, -0.0001287000000000,  0.0037524400000000 ]  - [  -0.0104446500000000, -0.0060302200000000,  0.0079711300000000 ]  - [  -0.0004222100000000, -0.0002437600000000,  0.0029412000000000 ]  - [   0.0004222100000000, -0.0002437600000000,  0.0029412000000000 ]  - [   0.0000000000000000,  0.0004875200000000,  0.0029412000000000 ]  - [  -0.0167733200000000,  0.0096840800000000,  0.0144074200000000 ]  - [   0.0167733200000000,  0.0096840800000000,  0.0144074200000000 ]  - [  -0.0001762700000000, -0.0001017700000000,  0.0037442500000000 ]  - [   0.0001762700000000, -0.0001017700000000,  0.0037442500000000 ]  - [   0.0000000000000000, -0.0193681600000000,  0.0144074200000000 ]  - [   0.0000000000000000, -0.0000355000000000,  0.0036172600000000 ]  - [   0.0104446500000000, -0.0060302200000000,  0.0079711300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1634083800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040958000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037523500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042901500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0069968400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046249800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0083918600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044750900000000 ]  - [   0.0000000000000000,  0.0120604500000000,  0.0079711300000000 ]  - [  -0.0000307400000000,  0.0000177500000000,  0.0036172600000000 ]  - [   0.0000307400000000,  0.0000177500000000,  0.0036172600000000 ]  - [   0.0000000000000000,  0.0002035400000000,  0.0037442500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0089745000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060047400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059648200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0226271600000000 ]  - [  -0.0000965200000000,  0.0000557200000000, -0.0051813400000000 ]  - [   0.0000000000000000, -0.0001114500000000, -0.0051813400000000 ]  - [   0.0000965200000000,  0.0000557200000000, -0.0051813400000000 ]  - [  -0.0163210500000000, -0.0094229600000000,  0.0482380600000000 ]  - [   0.0000000000000000, -0.0000288700000000, -0.0051605900000000 ]  - [   0.0163210500000000, -0.0094229600000000,  0.0482380600000000 ]  - [   0.0000000000000000,  0.0188459300000000,  0.0482380600000000 ]  - [  -0.0007443400000000,  0.0004297500000000, -0.0054070300000000 ]  - [   0.0007443400000000,  0.0004297500000000, -0.0054070300000000 ]  - [   0.0000250000000000,  0.0000144400000000, -0.0051605900000000 ]  - [  -0.0000250000000000,  0.0000144400000000, -0.0051605900000000 ]  - [   0.0000000000000000, -0.0008594900000000, -0.0054070300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057402600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013022700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058295000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041657900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064828700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0204021400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058894900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0087043600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053394700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0050235000000000 ]- atom:   27  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0012737700000000,  0.0007354100000000, -0.0036522400000000 ]  - [   0.0000000000000000, -0.0014708300000000, -0.0036522400000000 ]  - [   0.0012737700000000,  0.0007354100000000, -0.0036522400000000 ]  - [  -0.0007242000000000, -0.0004181200000000, -0.0037817000000000 ]  - [   0.0000000000000000, -0.0006091600000000, -0.0036888500000000 ]  - [   0.0007242000000000, -0.0004181200000000, -0.0037817000000000 ]  - [   0.0000000000000000,  0.0008362400000000, -0.0037817000000000 ]  - [  -0.0015471500000000,  0.0008932500000000,  0.0159138200000000 ]  - [   0.0015471500000000,  0.0008932500000000,  0.0159138200000000 ]  - [   0.0005275500000000,  0.0003045800000000, -0.0036888500000000 ]  - [  -0.0005275500000000,  0.0003045800000000, -0.0036888500000000 ]  - [   0.0000000000000000, -0.0017864900000000,  0.0159138200000000 ]  - [  -0.0002223600000000,  0.0001283800000000, -0.0037170000000000 ]  - [   0.0000000000000000, -0.0002567600000000, -0.0037170000000000 ]  - [   0.0002223600000000,  0.0001283800000000, -0.0037170000000000 ]  - [   0.0102922400000000,  0.0059422300000000, -0.0078597500000000 ]  - [   0.0004231000000000,  0.0002442800000000, -0.0028986700000000 ]  - [  -0.0004231000000000,  0.0002442800000000, -0.0028986700000000 ]  - [   0.0000000000000000, -0.0004885600000000, -0.0028986700000000 ]  - [   0.0170300800000000, -0.0098323200000000, -0.0146767600000000 ]  - [  -0.0170300800000000, -0.0098323200000000, -0.0146767600000000 ]  - [   0.0001755000000000,  0.0001013300000000, -0.0037683500000000 ]  - [  -0.0001755000000000,  0.0001013300000000, -0.0037683500000000 ]  - [   0.0000000000000000,  0.0196646500000000, -0.0146767600000000 ]  - [   0.0000000000000000,  0.0000358300000000, -0.0036120300000000 ]  - [  -0.0102922400000000,  0.0059422300000000, -0.0078597500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1636182100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0041128400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037236300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042607300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0069947200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045964800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084287600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044899600000000 ]  - [   0.0000000000000000, -0.0118844500000000, -0.0078597500000000 ]  - [   0.0000310300000000, -0.0000179200000000, -0.0036120300000000 ]  - [  -0.0000310300000000, -0.0000179200000000, -0.0036120300000000 ]  - [   0.0000000000000000, -0.0002026500000000, -0.0037683500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0089371300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0059795900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0059733800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0223964400000000 ]  - [   0.0001124000000000, -0.0000649000000000,  0.0052170100000000 ]  - [   0.0000000000000000,  0.0001297900000000,  0.0052170100000000 ]  - [  -0.0001124000000000, -0.0000649000000000,  0.0052170100000000 ]  - [   0.0173484300000000,  0.0100161200000000, -0.0485278100000000 ]  - [   0.0000000000000000,  0.0000109700000000,  0.0051106000000000 ]  - [  -0.0173484300000000,  0.0100161200000000, -0.0485278100000000 ]  - [   0.0000000000000000, -0.0200322400000000, -0.0485278100000000 ]  - [   0.0007666500000000, -0.0004426300000000,  0.0053593700000000 ]  - [  -0.0007666500000000, -0.0004426300000000,  0.0053593700000000 ]  - [  -0.0000095000000000, -0.0000054900000000,  0.0051106000000000 ]  - [   0.0000095000000000, -0.0000054900000000,  0.0051106000000000 ]  - [   0.0000000000000000,  0.0008852500000000,  0.0053593700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057250300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012615400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058286200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042236700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064734200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0213668800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058806900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086907200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053320800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049505000000000 ]- atom:   31  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000065900000000, -0.0000029000000000,  0.0000186100000000 ]  - [   0.0000016100000000,  0.0000111000000000,  0.0000265800000000 ]  - [  -0.0000120400000000, -0.0000080600000000,  0.0000317900000000 ]  - [   0.0085772100000000,  0.0066965200000000,  0.0157233400000000 ]  - [   0.0001676800000000, -0.0000103500000000, -0.0000251700000000 ]  - [   0.0085489400000000, -0.0067360600000000, -0.0158302100000000 ]  - [  -0.0030698000000000, -0.0000601800000000,  0.0000757500000000 ]  - [  -0.0000195300000000, -0.0003708200000000,  0.0002712700000000 ]  - [  -0.0000305200000000,  0.0003600700000000, -0.0003192500000000 ]  - [   0.0000148900000000, -0.0000880500000000, -0.0000007400000000 ]  - [  -0.0000028200000000,  0.0000984600000000, -0.0000459100000000 ]  - [  -0.0006578500000000,  0.0000116800000000, -0.0000191900000000 ]  - [  -0.0000007900000000,  0.0000017100000000,  0.0000169100000000 ]  - [   0.0000029000000000, -0.0000012800000000,  0.0000168000000000 ]  - [   0.0000007500000000, -0.0000016800000000,  0.0000161200000000 ]  - [   0.0000182700000000,  0.0000425900000000, -0.0000247200000000 ]  - [   0.0071899400000000, -0.0187111900000000, -0.0003357200000000 ]  - [   0.0072219900000000,  0.0187501900000000,  0.0003670300000000 ]  - [   0.0396526600000000,  0.0000244100000000,  0.0000139000000000 ]  - [   0.0039360200000000, -0.0036643100000000, -0.0070103500000000 ]  - [   0.0039417800000000,  0.0037067500000000,  0.0070560900000000 ]  - [  -0.0000004000000000, -0.0000052200000000, -0.0000027500000000 ]  - [   0.0000007900000000,  0.0000048200000000, -0.0000271200000000 ]  - [  -0.0024444600000000,  0.0000293800000000, -0.0000518700000000 ]  - [   0.0013107800000000, -0.0000004900000000, -0.0000004400000000 ]  - [   0.0000186800000000, -0.0000418400000000,  0.0000263000000000 ]  - [   0.0012941500000000,  0.0000032200000000, -0.0000137100000000 ]  - [  -0.0001340000000000, -0.0000013000000000, -0.0000104900000000 ]  - [   0.0006362100000000,  0.0000121500000000, -0.0000043500000000 ]  - [   0.0000005400000000,  0.0000015600000000,  0.0000121500000000 ]  - [  -0.1050402800000000, -0.0006162400000000,  0.0012150600000000 ]  - [  -0.0000016400000000,  0.0000004500000000,  0.0000118300000000 ]  - [   0.0003368100000000, -0.0000065300000000,  0.0000026600000000 ]  - [  -0.0000119500000000, -0.0000003700000000, -0.0000104600000000 ]  - [  -0.0000546100000000, -0.0000008900000000,  0.0000002600000000 ]  - [  -0.0000210600000000,  0.0007640800000000,  0.0012715600000000 ]  - [  -0.0000109000000000, -0.0007679800000000, -0.0012688500000000 ]  - [   0.0000089000000000,  0.0000010900000000, -0.0000152900000000 ]  - [  -0.0000167100000000, -0.0000008700000000, -0.0000089200000000 ]  - [  -0.0080726400000000,  0.0000156200000000, -0.0000130500000000 ]  - [  -0.0005664000000000,  0.0000010700000000,  0.0000070800000000 ]  - [   0.0002273900000000,  0.0000010600000000,  0.0000064300000000 ]  - [   0.0000087400000000,  0.0000108300000000,  0.0000625000000000 ]  - [   0.0000259000000000,  0.0000103300000000,  0.0000214600000000 ]  - [  -0.0000100400000000, -0.0000199300000000, -0.0000192900000000 ]  - [   0.0004248700000000,  0.0020219200000000,  0.0014352500000000 ]  - [   0.0000050100000000, -0.0000103600000000, -0.0000237900000000 ]  - [   0.0003762900000000, -0.0020200200000000, -0.0013897800000000 ]  - [  -0.0030999100000000, -0.0000145000000000,  0.0000140200000000 ]  - [   0.0068816200000000,  0.0048722900000000, -0.0003427400000000 ]  - [   0.0077810100000000, -0.0043672500000000, -0.0004960200000000 ]  - [   0.0000075900000000,  0.0000011900000000, -0.0000225800000000 ]  - [  -0.0000104500000000,  0.0000085300000000, -0.0000244900000000 ]  - [   0.0153370500000000,  0.0000189000000000, -0.0000352500000000 ]  - [  -0.0000013000000000,  0.0000011600000000, -0.0000042900000000 ]  - [  -0.0061940200000000,  0.0000752900000000, -0.0000104500000000 ]  - [   0.0000041300000000, -0.0000001500000000,  0.0000035400000000 ]  - [   0.0180778400000000,  0.0000317300000000, -0.0002878100000000 ]  - [   0.0008715300000000, -0.0000004600000000,  0.0000064800000000 ]  - [   0.0000818300000000, -0.0000000700000000,  0.0000003900000000 ]  - [  -0.0000029300000000, -0.0000004300000000, -0.0000006400000000 ]  - [  -0.0046850100000000, -0.0000570300000000, -0.0000341200000000 ]  - [   0.0012279800000000, -0.0000031600000000, -0.0000003000000000 ]  - [  -0.0000548500000000, -0.0000001700000000, -0.0000010300000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005914000000000, -0.0003414500000000,  0.0040471600000000 ]  - [   0.0000000000000000,  0.0006828900000000,  0.0040471600000000 ]  - [  -0.0005914000000000, -0.0003414500000000,  0.0040471600000000 ]  - [   0.0182431500000000,  0.0105326900000000,  0.0150783300000000 ]  - [   0.0000000000000000,  0.0006265600000000,  0.0039602900000000 ]  - [  -0.0182431500000000,  0.0105326900000000,  0.0150783300000000 ]  - [   0.0000000000000000, -0.0210653700000000,  0.0150783300000000 ]  - [   0.0001767800000000, -0.0001020700000000,  0.0030976200000000 ]  - [  -0.0001767800000000, -0.0001020700000000,  0.0030976200000000 ]  - [  -0.0005426200000000, -0.0003132800000000,  0.0039602900000000 ]  - [   0.0005426200000000, -0.0003132800000000,  0.0039602900000000 ]  - [   0.0000000000000000,  0.0002041300000000,  0.0030976200000000 ]  - [   0.0001852400000000, -0.0001069500000000,  0.0041314300000000 ]  - [   0.0000000000000000,  0.0002139000000000,  0.0041314300000000 ]  - [  -0.0001852400000000, -0.0001069500000000,  0.0041314300000000 ]  - [  -0.0001882500000000, -0.0001086900000000,  0.0039672400000000 ]  - [  -0.0009646400000000, -0.0005569400000000, -0.0185510300000000 ]  - [   0.0009646400000000, -0.0005569400000000, -0.0185510300000000 ]  - [   0.0000000000000000,  0.0011138700000000, -0.0185510300000000 ]  - [  -0.0079104400000000,  0.0045670900000000,  0.0066702400000000 ]  - [   0.0079104400000000,  0.0045670900000000,  0.0066702400000000 ]  - [  -0.0001969700000000, -0.0001137200000000,  0.0041066300000000 ]  - [   0.0001969700000000, -0.0001137200000000,  0.0041066300000000 ]  - [   0.0000000000000000, -0.0091341900000000,  0.0066702400000000 ]  - [   0.0000000000000000, -0.0017499900000000,  0.0043006900000000 ]  - [   0.0001882500000000, -0.0001086900000000,  0.0039672400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070062900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046084700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0083849400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045023100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2430776900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049300400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044940100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048845400000000 ]  - [   0.0000000000000000,  0.0002173800000000,  0.0039672400000000 ]  - [  -0.0015155300000000,  0.0008749900000000,  0.0043006900000000 ]  - [   0.0015155300000000,  0.0008749900000000,  0.0043006900000000 ]  - [   0.0000000000000000,  0.0002274400000000,  0.0041066300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065890600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064288200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065024600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062403100000000 ]  - [  -0.0000577000000000,  0.0000333100000000, -0.0056843000000000 ]  - [   0.0000000000000000, -0.0000666200000000, -0.0056843000000000 ]  - [   0.0000577000000000,  0.0000333100000000, -0.0056843000000000 ]  - [  -0.0044348400000000, -0.0025604600000000, -0.0046291600000000 ]  - [   0.0000000000000000, -0.0001417800000000, -0.0057202600000000 ]  - [   0.0044348400000000, -0.0025604600000000, -0.0046291600000000 ]  - [   0.0000000000000000,  0.0051209200000000, -0.0046291600000000 ]  - [  -0.0075493300000000,  0.0043586100000000,  0.0345638700000000 ]  - [   0.0075493300000000,  0.0043586100000000,  0.0345638700000000 ]  - [   0.0001227800000000,  0.0000708900000000, -0.0057202600000000 ]  - [  -0.0001227800000000,  0.0000708900000000, -0.0057202600000000 ]  - [   0.0000000000000000, -0.0087172100000000,  0.0345638700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063626800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0215449900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063534600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1049593700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025290800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079462200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064656200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0228481600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062481700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056778800000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005700300000000,  0.0003291100000000, -0.0039781400000000 ]  - [   0.0000000000000000, -0.0006582100000000, -0.0039781400000000 ]  - [   0.0005700300000000,  0.0003291100000000, -0.0039781400000000 ]  - [  -0.0184885000000000, -0.0106743400000000, -0.0152458600000000 ]  - [   0.0000000000000000, -0.0006444200000000, -0.0039920700000000 ]  - [   0.0184885000000000, -0.0106743400000000, -0.0152458600000000 ]  - [   0.0000000000000000,  0.0213486800000000, -0.0152458600000000 ]  - [  -0.0001549200000000,  0.0000894400000000, -0.0031338800000000 ]  - [   0.0001549200000000,  0.0000894400000000, -0.0031338800000000 ]  - [   0.0005580900000000,  0.0003222100000000, -0.0039920700000000 ]  - [  -0.0005580900000000,  0.0003222100000000, -0.0039920700000000 ]  - [   0.0000000000000000, -0.0001788800000000, -0.0031338800000000 ]  - [  -0.0001852300000000,  0.0001069400000000, -0.0040805100000000 ]  - [   0.0000000000000000, -0.0002138900000000, -0.0040805100000000 ]  - [   0.0001852300000000,  0.0001069400000000, -0.0040805100000000 ]  - [   0.0001872200000000,  0.0001080900000000, -0.0039507800000000 ]  - [   0.0009571800000000,  0.0005526300000000,  0.0184868300000000 ]  - [  -0.0009571800000000,  0.0005526300000000,  0.0184868300000000 ]  - [   0.0000000000000000, -0.0011052600000000,  0.0184868300000000 ]  - [   0.0077753500000000, -0.0044891000000000, -0.0065937600000000 ]  - [  -0.0077753500000000, -0.0044891000000000, -0.0065937600000000 ]  - [   0.0001954900000000,  0.0001128700000000, -0.0041203400000000 ]  - [  -0.0001954900000000,  0.0001128700000000, -0.0041203400000000 ]  - [   0.0000000000000000,  0.0089782000000000, -0.0065937600000000 ]  - [   0.0000000000000000,  0.0017557000000000, -0.0042875300000000 ]  - [  -0.0001872200000000,  0.0001080900000000, -0.0039507800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0069836400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046127500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084381200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044615200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2379350500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048853100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044048200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048857400000000 ]  - [   0.0000000000000000, -0.0002161800000000, -0.0039507800000000 ]  - [   0.0015204800000000, -0.0008778500000000, -0.0042875300000000 ]  - [  -0.0015204800000000, -0.0008778500000000, -0.0042875300000000 ]  - [   0.0000000000000000, -0.0002257400000000, -0.0041203400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065453400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063824900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064921400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062290500000000 ]  - [   0.0000753100000000, -0.0000434800000000,  0.0057070500000000 ]  - [   0.0000000000000000,  0.0000869600000000,  0.0057070500000000 ]  - [  -0.0000753100000000, -0.0000434800000000,  0.0057070500000000 ]  - [   0.0044182700000000,  0.0025508900000000,  0.0046546700000000 ]  - [   0.0000000000000000,  0.0001187600000000,  0.0056491800000000 ]  - [  -0.0044182700000000,  0.0025508900000000,  0.0046546700000000 ]  - [   0.0000000000000000, -0.0051017700000000,  0.0046546700000000 ]  - [   0.0068030200000000, -0.0039277200000000, -0.0353174400000000 ]  - [  -0.0068030200000000, -0.0039277200000000, -0.0353174400000000 ]  - [  -0.0001028500000000, -0.0000593800000000,  0.0056491800000000 ]  - [   0.0001028500000000, -0.0000593800000000,  0.0056491800000000 ]  - [   0.0000000000000000,  0.0078554500000000, -0.0353174400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063286300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0213434800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063330700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0975066200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024936200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079119300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064378600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0225256100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062265400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056537000000000 ]- atom:   39  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0330811700000000, -0.0114813700000000,  0.0148262400000000 ]  - [   0.0133035000000000, -0.0001596100000000, -0.0000800400000000 ]  - [   0.0310131000000000,  0.0101722800000000, -0.0132850800000000 ]  - [   0.0000087400000000,  0.0000028800000000,  0.0000246000000000 ]  - [   0.0000688600000000, -0.0000111500000000, -0.0000272100000000 ]  - [  -0.0000070200000000,  0.0000064400000000,  0.0000220800000000 ]  - [   0.0000037900000000, -0.0000125200000000,  0.0000219600000000 ]  - [  -0.0002216100000000,  0.0025970500000000,  0.0024317400000000 ]  - [  -0.0002448700000000, -0.0026004500000000, -0.0024777600000000 ]  - [   0.0000143900000000, -0.0000311000000000, -0.0000996100000000 ]  - [  -0.0000043300000000,  0.0000424400000000,  0.0000488800000000 ]  - [   0.0042680900000000,  0.0000078100000000, -0.0000078700000000 ]  - [  -0.0007074500000000,  0.0033990800000000,  0.0030620800000000 ]  - [   0.0051987200000000, -0.0000014300000000, -0.0000119400000000 ]  - [  -0.0006827400000000, -0.0034065200000000, -0.0030491900000000 ]  - [   0.0157171100000000,  0.0007620200000000, -0.0003102800000000 ]  - [  -0.0000058500000000, -0.0000140900000000, -0.0000207300000000 ]  - [  -0.0000041900000000,  0.0000134100000000,  0.0000497200000000 ]  - [   0.0000187900000000,  0.0000002300000000,  0.0000142600000000 ]  - [  -0.0000391900000000,  0.0002668900000000,  0.0001384200000000 ]  - [  -0.0000429100000000, -0.0002679600000000, -0.0001741200000000 ]  - [  -0.0001328300000000,  0.0000864000000000,  0.0008120800000000 ]  - [  -0.0001270800000000, -0.0000883500000000, -0.0008457300000000 ]  - [   0.0004221500000000,  0.0000024900000000, -0.0000188900000000 ]  - [   0.0000107400000000,  0.0000005900000000, -0.0000010500000000 ]  - [   0.0147201500000000, -0.0002381500000000, -0.0005436000000000 ]  - [  -0.0038861000000000,  0.0000005400000000, -0.0000420400000000 ]  - [  -0.0000951600000000, -0.0000014400000000, -0.0000119000000000 ]  - [  -0.0000044700000000,  0.0000016200000000,  0.0000093600000000 ]  - [  -0.0051391400000000, -0.0000377600000000, -0.0000100500000000 ]  - [  -0.0000184200000000,  0.0000008000000000,  0.0000089100000000 ]  - [  -0.0080730000000000,  0.0000043900000000,  0.0000583100000000 ]  - [  -0.0005654400000000, -0.0000020000000000, -0.0000098500000000 ]  - [   0.0002226600000000, -0.0000007900000000, -0.0000153700000000 ]  - [   0.0143559700000000,  0.0000822400000000,  0.0000807300000000 ]  - [  -0.0000020700000000,  0.0000066000000000, -0.0000032500000000 ]  - [  -0.0000002300000000, -0.0000071700000000,  0.0000000200000000 ]  - [  -0.0002812700000000,  0.0000029700000000, -0.0000155900000000 ]  - [  -0.1707799000000000,  0.0009837000000000, -0.0007046600000000 ]  - [  -0.0000019300000000,  0.0000008800000000, -0.0000054300000000 ]  - [  -0.0000468200000000,  0.0000004600000000,  0.0000100900000000 ]  - [  -0.0244597600000000, -0.0000333600000000,  0.0001214900000000 ]  - [  -0.0000010900000000,  0.0002005100000000, -0.0001559600000000 ]  - [   0.0003453500000000,  0.0000096300000000,  0.0000249000000000 ]  - [  -0.0000180100000000, -0.0002093800000000,  0.0002049600000000 ]  - [  -0.0000038100000000, -0.0010365200000000,  0.0008212600000000 ]  - [   0.0360834200000000, -0.0000696600000000,  0.0001056500000000 ]  - [  -0.0000006100000000,  0.0010421000000000, -0.0007705200000000 ]  - [   0.0017978600000000, -0.0000024300000000,  0.0000267600000000 ]  - [   0.0000089200000000,  0.0000010900000000, -0.0000173300000000 ]  - [  -0.0000102700000000, -0.0000111000000000, -0.0000231500000000 ]  - [   0.0013069300000000, -0.0201107700000000,  0.0061226300000000 ]  - [   0.0011426400000000,  0.0201397900000000, -0.0061266900000000 ]  - [   0.0000099600000000,  0.0000110600000000, -0.0000203600000000 ]  - [  -0.0054311100000000,  0.0000098900000000, -0.0000161000000000 ]  - [  -0.0000589800000000, -0.0000009300000000, -0.0000028100000000 ]  - [  -0.0008177200000000,  0.0000000700000000,  0.0000004300000000 ]  - [  -0.0000787100000000, -0.0000016100000000,  0.0000033200000000 ]  - [  -0.0000044500000000,  0.0000001300000000,  0.0000023700000000 ]  - [   0.0319014500000000,  0.0000805600000000, -0.0001007100000000 ]  - [   0.0027075500000000, -0.0000047000000000,  0.0000101300000000 ]  - [   0.0000167300000000,  0.0000011700000000,  0.0000028300000000 ]  - [   0.0000097800000000, -0.0000001200000000,  0.0000021100000000 ]  - [   0.0142400100000000, -0.0000977900000000, -0.0000634500000000 ]- atom:   39  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0191471500000000, -0.0110546100000000,  0.0383494400000000 ]  - [   0.0000000000000000,  0.0221092200000000,  0.0383494400000000 ]  - [  -0.0191471500000000, -0.0110546100000000,  0.0383494400000000 ]  - [  -0.0007523400000000, -0.0004343600000000, -0.0053233400000000 ]  - [   0.0000000000000000, -0.0008569500000000, -0.0053622100000000 ]  - [   0.0007523400000000, -0.0004343600000000, -0.0053233400000000 ]  - [   0.0000000000000000,  0.0008687300000000, -0.0053233400000000 ]  - [   0.0020583500000000, -0.0011883900000000, -0.0045641900000000 ]  - [  -0.0020583500000000, -0.0011883900000000, -0.0045641900000000 ]  - [   0.0007421400000000,  0.0004284700000000, -0.0053622100000000 ]  - [  -0.0007421400000000,  0.0004284700000000, -0.0053622100000000 ]  - [   0.0000000000000000,  0.0023767800000000, -0.0045641900000000 ]  - [   0.0026274700000000, -0.0015169700000000, -0.0031681300000000 ]  - [   0.0000000000000000,  0.0030339400000000, -0.0031681300000000 ]  - [  -0.0026274700000000, -0.0015169700000000, -0.0031681300000000 ]  - [  -0.0028170300000000, -0.0016264100000000,  0.0317367400000000 ]  - [  -0.0002456500000000, -0.0001418300000000, -0.0054448400000000 ]  - [   0.0002456500000000, -0.0001418300000000, -0.0054448400000000 ]  - [   0.0000000000000000,  0.0002836500000000, -0.0054448400000000 ]  - [   0.0005504200000000, -0.0003177900000000, -0.0055665500000000 ]  - [  -0.0005504200000000, -0.0003177900000000, -0.0055665500000000 ]  - [   0.0001884100000000,  0.0001087800000000, -0.0055949400000000 ]  - [  -0.0001884100000000,  0.0001087800000000, -0.0055949400000000 ]  - [   0.0000000000000000,  0.0006355700000000, -0.0055665500000000 ]  - [   0.0000000000000000,  0.0000032700000000, -0.0052633300000000 ]  - [   0.0028170300000000, -0.0016264100000000,  0.0317367400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0089928900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060068000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059603200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0225284000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065607100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063377400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065088900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062518700000000 ]  - [   0.0000000000000000,  0.0032528300000000,  0.0317367400000000 ]  - [   0.0000028400000000, -0.0000016400000000, -0.0052633300000000 ]  - [  -0.0000028400000000, -0.0000016400000000, -0.0052633300000000 ]  - [   0.0000000000000000, -0.0002175600000000, -0.0055949400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2413378100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086959600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0087187100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0584143800000000 ]  - [   0.0002372800000000, -0.0001369900000000,  0.0075922000000000 ]  - [   0.0000000000000000,  0.0002739800000000,  0.0075922000000000 ]  - [  -0.0002372800000000, -0.0001369900000000,  0.0075922000000000 ]  - [  -0.0008108700000000, -0.0004681600000000,  0.0077539500000000 ]  - [   0.0000000000000000,  0.0095297600000000,  0.0031301400000000 ]  - [   0.0008108700000000, -0.0004681600000000,  0.0077539500000000 ]  - [   0.0000000000000000,  0.0009363100000000,  0.0077539500000000 ]  - [  -0.0001329300000000,  0.0000767500000000,  0.0075568800000000 ]  - [   0.0001329300000000,  0.0000767500000000,  0.0075568800000000 ]  - [  -0.0082530100000000, -0.0047648800000000,  0.0031301400000000 ]  - [   0.0082530100000000, -0.0047648800000000,  0.0031301400000000 ]  - [   0.0000000000000000, -0.0001534900000000,  0.0075568800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0170688400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084208200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084456100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0081877600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0095986000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0263210600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084421600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086639200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0077476500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0281501600000000 ]- atom:   39  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0182916600000000,  0.0105606900000000, -0.0379115400000000 ]  - [   0.0000000000000000, -0.0211213900000000, -0.0379115400000000 ]  - [   0.0182916600000000,  0.0105606900000000, -0.0379115400000000 ]  - [   0.0007698500000000,  0.0004444700000000,  0.0053672400000000 ]  - [   0.0000000000000000,  0.0008348800000000,  0.0053100600000000 ]  - [  -0.0007698500000000,  0.0004444700000000,  0.0053672400000000 ]  - [   0.0000000000000000, -0.0008889400000000,  0.0053672400000000 ]  - [  -0.0020540600000000,  0.0011859100000000,  0.0045216500000000 ]  - [   0.0020540600000000,  0.0011859100000000,  0.0045216500000000 ]  - [  -0.0007230200000000, -0.0004174400000000,  0.0053100600000000 ]  - [   0.0007230200000000, -0.0004174400000000,  0.0053100600000000 ]  - [   0.0000000000000000, -0.0023718200000000,  0.0045216500000000 ]  - [  -0.0026090500000000,  0.0015063400000000,  0.0032110400000000 ]  - [   0.0000000000000000, -0.0030126700000000,  0.0032110400000000 ]  - [   0.0026090500000000,  0.0015063400000000,  0.0032110400000000 ]  - [   0.0036744100000000,  0.0021214200000000, -0.0326449900000000 ]  - [   0.0002458100000000,  0.0001419200000000,  0.0054720800000000 ]  - [  -0.0002458100000000,  0.0001419200000000,  0.0054720800000000 ]  - [   0.0000000000000000, -0.0002838300000000,  0.0054720800000000 ]  - [  -0.0005472900000000,  0.0003159800000000,  0.0055307700000000 ]  - [   0.0005472900000000,  0.0003159800000000,  0.0055307700000000 ]  - [  -0.0001946100000000, -0.0001123600000000,  0.0055620200000000 ]  - [   0.0001946100000000, -0.0001123600000000,  0.0055620200000000 ]  - [   0.0000000000000000, -0.0006319600000000,  0.0055307700000000 ]  - [   0.0000000000000000, -0.0000032500000000,  0.0052593100000000 ]  - [  -0.0036744100000000,  0.0021214200000000, -0.0326449900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0089217400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0059794000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0059784800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0224985600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065772000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064732900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064888100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062202000000000 ]  - [   0.0000000000000000, -0.0042428400000000, -0.0326449900000000 ]  - [  -0.0000028200000000,  0.0000016300000000,  0.0052593100000000 ]  - [   0.0000028200000000,  0.0000016300000000,  0.0052593100000000 ]  - [   0.0000000000000000,  0.0002247100000000,  0.0055620200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2439152900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0087076800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086937400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0596092200000000 ]  - [  -0.0002232400000000,  0.0001288900000000, -0.0075419300000000 ]  - [   0.0000000000000000, -0.0002577800000000, -0.0075419300000000 ]  - [   0.0002232400000000,  0.0001288900000000, -0.0075419300000000 ]  - [   0.0008131500000000,  0.0004694700000000, -0.0077015500000000 ]  - [   0.0000000000000000, -0.0096209700000000, -0.0032760100000000 ]  - [  -0.0008131500000000,  0.0004694700000000, -0.0077015500000000 ]  - [   0.0000000000000000, -0.0009389500000000, -0.0077015500000000 ]  - [   0.0001490800000000, -0.0000860700000000, -0.0075944900000000 ]  - [  -0.0001490800000000, -0.0000860700000000, -0.0075944900000000 ]  - [   0.0083320000000000,  0.0048104800000000, -0.0032760100000000 ]  - [  -0.0083320000000000,  0.0048104800000000, -0.0032760100000000 ]  - [   0.0000000000000000,  0.0001721400000000, -0.0075944900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0169180700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084290600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084530700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0081754300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0095914900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0263364400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084126900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086590000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0077419700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0283081300000000 ]- atom:   43  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003954000000000,  0.0000569900000000, -0.0001589700000000 ]  - [  -0.0000099200000000, -0.0003475800000000, -0.0007829700000000 ]  - [   0.0004191600000000,  0.0000597300000000, -0.0001940200000000 ]  - [   0.0005079800000000, -0.0000352000000000, -0.0000721400000000 ]  - [   0.0609668300000000,  0.0253589600000000,  0.0282316200000000 ]  - [  -0.0005141300000000, -0.0000484800000000, -0.0000777300000000 ]  - [  -0.0000050200000000, -0.0002410400000000, -0.0000505900000000 ]  - [   0.0000148400000000, -0.0000116300000000, -0.0001187400000000 ]  - [  -0.0000169000000000, -0.0000133700000000, -0.0001197700000000 ]  - [   0.0162127300000000,  0.0018743500000000, -0.0029458400000000 ]  - [  -0.0071393600000000,  0.0012028200000000, -0.0012644800000000 ]  - [   0.0000005900000000,  0.0000246600000000, -0.0001160000000000 ]  - [   0.0034852800000000,  0.0000279800000000, -0.0004427300000000 ]  - [   0.0001702800000000,  0.0028739600000000,  0.0037015700000000 ]  - [  -0.0037700700000000,  0.0001779100000000, -0.0005055700000000 ]  - [   0.0000855200000000,  0.0000123300000000, -0.0000982800000000 ]  - [   0.0000251500000000,  0.0000037800000000, -0.0000700100000000 ]  - [  -0.0000253100000000,  0.0000027800000000, -0.0000700300000000 ]  - [  -0.0000013700000000, -0.0000222200000000, -0.0001177000000000 ]  - [  -0.0000004900000000, -0.0000024800000000, -0.0001121400000000 ]  - [   0.0000003000000000, -0.0000027700000000, -0.0001126200000000 ]  - [   0.0171545700000000,  0.0026797300000000, -0.0008365400000000 ]  - [  -0.0077874600000000,  0.0024191800000000, -0.0008461400000000 ]  - [   0.0000002000000000,  0.0000027500000000, -0.0001117900000000 ]  - [  -0.0000064300000000, -0.0037448400000000,  0.0027909100000000 ]  - [  -0.0000850200000000,  0.0000115600000000, -0.0001012900000000 ]  - [  -0.0000010900000000,  0.0000006400000000, -0.0001167200000000 ]  - [   0.0409424000000000, -0.0141622400000000, -0.0160495000000000 ]  - [   0.0000011800000000,  0.0002425100000000, -0.0000055900000000 ]  - [  -0.0000043200000000,  0.0002474500000000,  0.0007660700000000 ]  - [   0.0000007800000000,  0.0000157700000000, -0.0000551200000000 ]  - [   0.0004108700000000, -0.0020195700000000, -0.0044146900000000 ]  - [  -0.0000002600000000,  0.0000014200000000, -0.0001245500000000 ]  - [   0.0077890900000000,  0.0044144200000000,  0.0068408400000000 ]  - [   0.0000003200000000, -0.0000625200000000, -0.0000720500000000 ]  - [  -0.0054329800000000,  0.0003155300000000, -0.0007154400000000 ]  - [   0.0052507500000000,  0.0001692100000000, -0.0007874500000000 ]  - [   0.0070515600000000, -0.0044453500000000, -0.0048386600000000 ]  - [  -0.0000087300000000,  0.0002042400000000,  0.0002222000000000 ]  - [   0.0000039400000000,  0.0010380500000000, -0.0008192700000000 ]  - [   0.0012946500000000,  0.0201140000000000,  0.0083249700000000 ]  - [   0.0000007300000000,  0.0000060800000000,  0.0001486300000000 ]  - [  -0.2466594700000000,  0.0123430900000000, -0.0229033600000000 ]  - [   0.0083931200000000, -0.0501347000000000,  0.0148515700000000 ]  - [   0.0968795600000000, -0.0009040600000000, -0.0000271500000000 ]  - [   0.0000115200000000,  0.0000065200000000,  0.0001550200000000 ]  - [   0.0000250000000000, -0.0013881500000000,  0.0013221900000000 ]  - [  -0.0000111500000000,  0.0000069800000000,  0.0001543300000000 ]  - [  -0.0000003000000000, -0.0000144000000000,  0.0001574800000000 ]  - [  -0.0000565200000000,  0.0000102600000000,  0.0000771500000000 ]  - [   0.0000555700000000,  0.0000157300000000,  0.0000762000000000 ]  - [   0.0022508000000000,  0.0001011200000000,  0.0000632400000000 ]  - [  -0.0022886200000000,  0.0001303500000000,  0.0000114900000000 ]  - [  -0.0000048800000000, -0.0000483400000000,  0.0002315700000000 ]  - [   0.0001659000000000,  0.0009543800000000, -0.0151858100000000 ]  - [   0.0000005400000000, -0.0000160700000000,  0.0001768800000000 ]  - [   0.0004954500000000,  0.0217912700000000, -0.0021052700000000 ]  - [   0.0000006000000000,  0.0000006300000000,  0.0001435200000000 ]  - [   0.0003256600000000, -0.0016212000000000, -0.0159680200000000 ]  - [   0.0000007100000000, -0.0000002200000000, -0.0000694200000000 ]  - [   0.0032637300000000, -0.0157645200000000,  0.0182326400000000 ]  - [  -0.0000004900000000,  0.0000105200000000,  0.0001522100000000 ]  - [   0.0005666700000000, -0.0038394600000000,  0.0065691000000000 ]  - [   0.0000011700000000, -0.0000391900000000,  0.0001827200000000 ]- atom:   43  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0004103100000000, -0.0000658800000000,  0.0002099500000000 ]  - [   0.0000094200000000,  0.0003693700000000,  0.0008352500000000 ]  - [  -0.0004412700000000, -0.0000731100000000,  0.0002407400000000 ]  - [  -0.0004897800000000,  0.0000497700000000,  0.0001254300000000 ]  - [  -0.0580677200000000, -0.0233990500000000, -0.0261667700000000 ]  - [   0.0005002400000000,  0.0000547900000000,  0.0001256600000000 ]  - [   0.0000004300000000,  0.0002147300000000,  0.0000993900000000 ]  - [   0.0000000400000000,  0.0000034100000000,  0.0000687500000000 ]  - [  -0.0000016600000000,  0.0000020800000000,  0.0000677900000000 ]  - [  -0.0161793300000000, -0.0012790700000000,  0.0025805100000000 ]  - [   0.0071327900000000, -0.0011043800000000,  0.0011894500000000 ]  - [   0.0000005300000000,  0.0000014000000000,  0.0000671600000000 ]  - [  -0.0034906300000000, -0.0000432900000000,  0.0004806400000000 ]  - [  -0.0001913800000000, -0.0028742100000000, -0.0036736600000000 ]  - [   0.0037709500000000, -0.0001604800000000,  0.0005289200000000 ]  - [  -0.0000856100000000, -0.0000091600000000,  0.0000990700000000 ]  - [  -0.0000274700000000, -0.0000041900000000,  0.0001028700000000 ]  - [   0.0000273900000000, -0.0000041000000000,  0.0001017000000000 ]  - [   0.0000004000000000,  0.0000232400000000,  0.0001492200000000 ]  - [  -0.0000018300000000,  0.0000038600000000,  0.0000811500000000 ]  - [   0.0000021000000000,  0.0000035600000000,  0.0000804100000000 ]  - [  -0.0171601900000000, -0.0027724000000000,  0.0009063200000000 ]  - [   0.0077906600000000, -0.0024753800000000,  0.0008266300000000 ]  - [   0.0000003600000000, -0.0000035400000000,  0.0000798500000000 ]  - [  -0.0000107000000000,  0.0037550300000000, -0.0027995500000000 ]  - [   0.0000880400000000, -0.0000132200000000,  0.0001010800000000 ]  - [  -0.0000005300000000, -0.0000039400000000,  0.0000930700000000 ]  - [  -0.0432515700000000,  0.0156415100000000,  0.0176440500000000 ]  - [   0.0000032600000000, -0.0002398700000000,  0.0000293500000000 ]  - [   0.0000075000000000, -0.0002445500000000, -0.0007426800000000 ]  - [  -0.0000001500000000, -0.0000143900000000,  0.0000778200000000 ]  - [  -0.0003911500000000,  0.0020231200000000,  0.0044358800000000 ]  - [   0.0000000500000000, -0.0000030100000000,  0.0001027200000000 ]  - [  -0.0068738800000000, -0.0048283000000000, -0.0075095300000000 ]  - [  -0.0000029300000000,  0.0000610400000000,  0.0000713600000000 ]  - [   0.0054248600000000, -0.0003129800000000,  0.0007698400000000 ]  - [  -0.0052487600000000, -0.0001711500000000,  0.0007493000000000 ]  - [  -0.0080201900000000,  0.0040589400000000,  0.0040933700000000 ]  - [   0.0000098500000000, -0.0002063200000000, -0.0002376500000000 ]  - [   0.0000091900000000, -0.0010398800000000,  0.0008044500000000 ]  - [  -0.0011540000000000, -0.0201356100000000, -0.0082609000000000 ]  - [   0.0000017000000000, -0.0000069300000000, -0.0001329100000000 ]  - [   0.2460134600000000, -0.0155941800000000,  0.0208324800000000 ]  - [  -0.0084437000000000,  0.0500847200000000, -0.0148087500000000 ]  - [  -0.0968251600000000,  0.0009824000000000,  0.0000889200000000 ]  - [   0.0000083900000000,  0.0000025700000000, -0.0001086000000000 ]  - [  -0.0000211100000000,  0.0013653200000000, -0.0013698200000000 ]  - [  -0.0000073700000000,  0.0000031100000000, -0.0001089900000000 ]  - [   0.0000017100000000, -0.0000074700000000, -0.0001113900000000 ]  - [   0.0000749900000000, -0.0000216500000000, -0.0001216000000000 ]  - [  -0.0000754600000000, -0.0000235300000000, -0.0001222200000000 ]  - [  -0.0022315700000000, -0.0000911000000000, -0.0001066900000000 ]  - [   0.0022712400000000, -0.0001178400000000, -0.0000582400000000 ]  - [   0.0000011800000000,  0.0000700800000000, -0.0002773300000000 ]  - [  -0.0001385300000000, -0.0009637800000000,  0.0151649400000000 ]  - [   0.0000000000000000,  0.0000143700000000, -0.0001851200000000 ]  - [  -0.0005999200000000, -0.0217859900000000,  0.0020848200000000 ]  - [   0.0000001700000000, -0.0000027300000000, -0.0001378500000000 ]  - [  -0.0003508300000000,  0.0016308500000000,  0.0159946100000000 ]  - [  -0.0000001800000000, -0.0000001400000000,  0.0000694300000000 ]  - [  -0.0031704900000000,  0.0158079300000000, -0.0183218300000000 ]  - [  -0.0000001900000000, -0.0000087500000000, -0.0001528700000000 ]  - [  -0.0006046000000000,  0.0038388600000000, -0.0065569500000000 ]  - [  -0.0000013800000000,  0.0000395200000000, -0.0001824100000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0006277100000000,  0.0003624100000000, -0.0041803500000000 ]  - [   0.0002126800000000, -0.0006413300000000, -0.0047678500000000 ]  - [   0.0006617500000000,  0.0001364800000000, -0.0047678500000000 ]  - [  -0.0006621600000000, -0.0003467900000000, -0.0044705500000000 ]  - [   0.0306279500000000,  0.0222398400000000,  0.0493609600000000 ]  - [   0.0007481300000000, -0.0004319300000000, -0.0050134100000000 ]  - [  -0.0000307500000000,  0.0007468400000000, -0.0044705500000000 ]  - [   0.0006670400000000, -0.0003851100000000, -0.0046801600000000 ]  - [  -0.0006695000000000, -0.0003893000000000, -0.0046774300000000 ]  - [  -0.0039462900000000, -0.0376445000000000,  0.0493609600000000 ]  - [   0.0020843400000000, -0.0012033900000000,  0.0224164200000000 ]  - [   0.0000023900000000,  0.0007744600000000, -0.0046774300000000 ]  - [  -0.0007331500000000,  0.0004232800000000, -0.0068460900000000 ]  - [  -0.0016665700000000, -0.0007323400000000, -0.0033086100000000 ]  - [  -0.0001990500000000,  0.0018094600000000, -0.0033086100000000 ]  - [  -0.0000019800000000, -0.0000390300000000, -0.0045765000000000 ]  - [  -0.0002171600000000, -0.0000923100000000, -0.0047600500000000 ]  - [   0.0002255300000000, -0.0001302100000000, -0.0047241200000000 ]  - [  -0.0000286400000000,  0.0002342200000000, -0.0047600500000000 ]  - [   0.0002156200000000, -0.0001244900000000, -0.0047867900000000 ]  - [  -0.0002139200000000, -0.0001252400000000, -0.0047779800000000 ]  - [  -0.0009080900000000,  0.0003367700000000,  0.0279636300000000 ]  - [  -0.0014895600000000,  0.0008600000000000,  0.0227616300000000 ]  - [   0.0000015000000000,  0.0002478800000000, -0.0047779800000000 ]  - [   0.0021746700000000,  0.0015271200000000, -0.0037381200000000 ]  - [   0.0000018300000000, -0.0000010500000000, -0.0045966800000000 ]  - [  -0.0000011100000000,  0.0000006400000000, -0.0052139200000000 ]  - [  -0.0210471400000000,  0.0121515700000000,  0.0485773100000000 ]  - [   0.0000315200000000, -0.0000182000000000, -0.0051288700000000 ]  - [  -0.0002926400000000,  0.0001689600000000, -0.0053752300000000 ]  - [   0.0000407400000000, -0.0000235200000000, -0.0056897600000000 ]  - [   0.0014166400000000, -0.0008178900000000, -0.0046482600000000 ]  - [  -0.0000005900000000,  0.0000003400000000, -0.0056983900000000 ]  - [   0.0002514400000000, -0.0001451700000000,  0.0345596500000000 ]  - [   0.0000328200000000,  0.0000212300000000, -0.0045765000000000 ]  - [  -0.0003447700000000,  0.0001990500000000, -0.0031987400000000 ]  - [  -0.0002351900000000, -0.0026468800000000, -0.0037381200000000 ]  - [  -0.0007456900000000,  0.0006180400000000,  0.0279636300000000 ]  - [  -0.0001784900000000,  0.0001030500000000,  0.0075643000000000 ]  - [   0.0008089500000000, -0.0004670400000000,  0.0077273900000000 ]  - [  -0.0060961200000000,  0.0035196000000000,  0.0031371500000000 ]  - [  -0.0000017600000000,  0.0000010200000000,  0.0075894800000000 ]  - [  -0.0218361900000000,  0.0126071300000000, -0.1901556500000000 ]  - [   0.0148720600000000,  0.0085348100000000, -0.0614729100000000 ]  - [   0.0000446700000000, -0.0171469900000000, -0.0614729100000000 ]  - [   0.0001411500000000,  0.0000830200000000,  0.0066196700000000 ]  - [   0.0012507800000000,  0.0008097700000000,  0.0070260100000000 ]  - [  -0.0001402400000000,  0.0000809700000000,  0.0066167500000000 ]  - [  -0.0000013200000000, -0.0001637500000000,  0.0066196700000000 ]  - [  -0.0000905800000000,  0.0000522900000000,  0.0065231300000000 ]  - [   0.0000895900000000,  0.0002345500000000,  0.0065898200000000 ]  - [  -0.0000758900000000, -0.0014880900000000,  0.0070260100000000 ]  - [   0.0000272500000000, -0.0000157300000000,  0.0056382200000000 ]  - [  -0.0001583400000000, -0.0001948600000000,  0.0065898200000000 ]  - [  -0.0036656200000000,  0.0021163500000000,  0.0134881100000000 ]  - [   0.0000267000000000, -0.0000154100000000,  0.0073682600000000 ]  - [  -0.0115831300000000,  0.0066875200000000, -0.0071831000000000 ]  - [   0.0000022500000000, -0.0000013000000000,  0.0073762100000000 ]  - [  -0.0042648500000000,  0.0024623100000000,  0.0116630500000000 ]  - [  -0.0000065000000000,  0.0000037500000000,  0.0084052900000000 ]  - [   0.0194997000000000, -0.0112581600000000,  0.0172309100000000 ]  - [  -0.0000128800000000,  0.0000074400000000,  0.0074804500000000 ]  - [   0.0059782400000000, -0.0034515400000000,  0.0122349800000000 ]  - [   0.0000356600000000, -0.0000205900000000,  0.0067406400000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0006411800000000, -0.0003701900000000,  0.0042181100000000 ]  - [  -0.0002171400000000,  0.0006609500000000,  0.0048106300000000 ]  - [  -0.0006809700000000, -0.0001424200000000,  0.0048106300000000 ]  - [   0.0006806300000000,  0.0003626500000000,  0.0045164800000000 ]  - [  -0.0295507600000000, -0.0216161400000000, -0.0490688500000000 ]  - [  -0.0007587000000000,  0.0004380400000000,  0.0050473700000000 ]  - [   0.0000262500000000, -0.0007707700000000,  0.0045164800000000 ]  - [  -0.0006516100000000,  0.0003762100000000,  0.0046245700000000 ]  - [   0.0006483300000000,  0.0003762700000000,  0.0046214900000000 ]  - [   0.0039447400000000,  0.0363997800000000, -0.0490688500000000 ]  - [  -0.0020941100000000,  0.0012090400000000, -0.0224390900000000 ]  - [  -0.0000017000000000, -0.0007496000000000,  0.0046214900000000 ]  - [   0.0007413200000000, -0.0004280000000000,  0.0069025400000000 ]  - [   0.0016587800000000,  0.0007182900000000,  0.0033033400000000 ]  - [   0.0002073300000000, -0.0017956900000000,  0.0033033400000000 ]  - [   0.0000021800000000,  0.0000427300000000,  0.0045695600000000 ]  - [   0.0002155800000000,  0.0000929000000000,  0.0047837300000000 ]  - [  -0.0002234600000000,  0.0001290100000000,  0.0047480500000000 ]  - [   0.0000273300000000, -0.0002331500000000,  0.0047837300000000 ]  - [  -0.0002169700000000,  0.0001252700000000,  0.0047486300000000 ]  - [   0.0002155300000000,  0.0001256400000000,  0.0047409500000000 ]  - [   0.0008684700000000,  0.0004172000000000, -0.0287118900000000 ]  - [   0.0014995600000000, -0.0008657700000000, -0.0228081000000000 ]  - [  -0.0000010400000000, -0.0002494700000000,  0.0047409500000000 ]  - [  -0.0021504800000000, -0.0015047300000000,  0.0037365200000000 ]  - [   0.0000007500000000, -0.0000004300000000,  0.0045897000000000 ]  - [   0.0000012200000000, -0.0000007000000000,  0.0051837900000000 ]  - [   0.0201246400000000, -0.0116189600000000, -0.0481929400000000 ]  - [  -0.0000287200000000,  0.0000165800000000,  0.0051457800000000 ]  - [   0.0002998100000000, -0.0001731000000000,  0.0053911800000000 ]  - [  -0.0000402700000000,  0.0000232500000000,  0.0057021900000000 ]  - [  -0.0014077900000000,  0.0008127900000000,  0.0046365600000000 ]  - [   0.0000012100000000, -0.0000007000000000,  0.0056690000000000 ]  - [   0.0003999100000000, -0.0002308900000000, -0.0353252000000000 ]  - [  -0.0000359100000000, -0.0000232600000000,  0.0045695600000000 ]  - [   0.0003294300000000, -0.0001902000000000,  0.0032596000000000 ]  - [   0.0002279000000000,  0.0026147300000000,  0.0037365200000000 ]  - [   0.0000729300000000, -0.0009607100000000, -0.0287118900000000 ]  - [   0.0001824100000000, -0.0001053100000000, -0.0075685500000000 ]  - [  -0.0007826400000000,  0.0004518500000000, -0.0077287300000000 ]  - [   0.0061530100000000, -0.0035524400000000, -0.0032702500000000 ]  - [   0.0000037500000000, -0.0000021600000000, -0.0075609300000000 ]  - [   0.0218967400000000, -0.0126420900000000,  0.1913793600000000 ]  - [  -0.0149039300000000, -0.0085207100000000,  0.0615480100000000 ]  - [  -0.0000728100000000,  0.0171675300000000,  0.0615480100000000 ]  - [  -0.0001216800000000, -0.0000749300000000, -0.0065650900000000 ]  - [  -0.0012714400000000, -0.0008443600000000, -0.0070662800000000 ]  - [   0.0001222900000000, -0.0000706000000000, -0.0065620500000000 ]  - [   0.0000040500000000,  0.0001428400000000, -0.0065650900000000 ]  - [   0.0001085100000000, -0.0000626500000000, -0.0065580400000000 ]  - [  -0.0001091300000000, -0.0002387400000000, -0.0066252000000000 ]  - [   0.0000955200000000,  0.0015232800000000, -0.0070662800000000 ]  - [  -0.0000438800000000,  0.0000253300000000, -0.0056590300000000 ]  - [   0.0001521900000000,  0.0002138800000000, -0.0066252000000000 ]  - [   0.0037882000000000, -0.0021871200000000, -0.0135292600000000 ]  - [  -0.0000250200000000,  0.0000144400000000, -0.0073680700000000 ]  - [   0.0115437200000000, -0.0066647700000000,  0.0072683500000000 ]  - [  -0.0000060700000000,  0.0000035000000000, -0.0073586100000000 ]  - [   0.0041620800000000, -0.0024029800000000, -0.0116364800000000 ]  - [   0.0000075800000000, -0.0000043700000000, -0.0083930700000000 ]  - [  -0.0197569200000000,  0.0114066600000000, -0.0174150800000000 ]  - [   0.0000138200000000, -0.0000079800000000, -0.0074718400000000 ]  - [  -0.0058793600000000,  0.0033944500000000, -0.0121263400000000 ]  - [  -0.0000363600000000,  0.0000209900000000, -0.0067299000000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010905800000000,  0.0041551200000000,  0.0061415400000000 ]  - [   0.0060741400000000,  0.0000318600000000,  0.0000390400000000 ]  - [  -0.0011537600000000, -0.0041547100000000, -0.0060503300000000 ]  - [   0.0000096800000000, -0.0000048100000000,  0.0000226900000000 ]  - [  -0.0001249900000000,  0.0000043300000000, -0.0000093700000000 ]  - [  -0.0000066900000000,  0.0000146200000000,  0.0000253900000000 ]  - [   0.0000181600000000, -0.0000126300000000,  0.0000227700000000 ]  - [   0.0000109900000000,  0.0000302800000000, -0.0000791600000000 ]  - [  -0.0000060500000000, -0.0000404900000000,  0.0000253900000000 ]  - [   0.0006236800000000,  0.0004403400000000, -0.0016425800000000 ]  - [   0.0006401600000000, -0.0004338600000000,  0.0015994000000000 ]  - [   0.0000639100000000,  0.0000133500000000, -0.0000258600000000 ]  - [   0.0675191100000000, -0.0336283800000000,  0.0170788100000000 ]  - [   0.0088448300000000,  0.0002893100000000,  0.0000827600000000 ]  - [   0.0717249400000000,  0.0365739500000000, -0.0187564800000000 ]  - [  -0.0000055800000000, -0.0005450500000000,  0.0002245500000000 ]  - [  -0.0000007200000000, -0.0000011800000000,  0.0000148700000000 ]  - [   0.0000013900000000,  0.0000002800000000,  0.0000150800000000 ]  - [   0.0000015800000000,  0.0000005100000000,  0.0000145900000000 ]  - [   0.0000004000000000, -0.0000017500000000, -0.0000079000000000 ]  - [   0.0000024900000000,  0.0000026500000000, -0.0000265500000000 ]  - [  -0.0008105600000000,  0.0047548100000000,  0.0031402800000000 ]  - [  -0.0008224200000000, -0.0047653700000000, -0.0031834900000000 ]  - [  -0.0000023700000000, -0.0000002300000000, -0.0000173600000000 ]  - [   0.0001380100000000,  0.0000020000000000, -0.0000008000000000 ]  - [   0.0000010700000000,  0.0005415100000000, -0.0002277500000000 ]  - [  -0.0000423700000000, -0.0000015500000000, -0.0000131100000000 ]  - [  -0.0000847900000000, -0.0000103700000000, -0.0000276400000000 ]  - [  -0.0000129500000000,  0.0000015600000000,  0.0000104100000000 ]  - [  -0.0077047400000000, -0.0000098000000000, -0.0000372200000000 ]  - [  -0.0000015900000000,  0.0000007500000000,  0.0000099300000000 ]  - [  -0.0061937700000000,  0.0000746700000000,  0.0000695700000000 ]  - [   0.0000044100000000, -0.0000007700000000, -0.0000127200000000 ]  - [   0.0180767600000000,  0.0000100300000000, -0.0002423900000000 ]  - [   0.0009387800000000,  0.0000027400000000, -0.0000001800000000 ]  - [   0.0000055400000000,  0.0000767700000000, -0.0001283100000000 ]  - [   0.0000029400000000, -0.0000777400000000,  0.0001259700000000 ]  - [  -0.0090617900000000, -0.0000286700000000, -0.0000835100000000 ]  - [  -0.0054284400000000,  0.0000035400000000,  0.0000101100000000 ]  - [  -0.0000600900000000,  0.0000009800000000, -0.0000060600000000 ]  - [  -0.0008188800000000, -0.0000043100000000,  0.0000097500000000 ]  - [  -0.0000780200000000,  0.0000000900000000,  0.0000106900000000 ]  - [   0.0002343700000000,  0.0009563100000000, -0.0036855100000000 ]  - [   0.0018116100000000,  0.0000540900000000, -0.0000098800000000 ]  - [   0.0000698100000000, -0.0009600600000000,  0.0037667500000000 ]  - [   0.0000105400000000,  0.0000194200000000,  0.0000513200000000 ]  - [   0.0382855700000000,  0.0000633200000000, -0.0001404300000000 ]  - [  -0.0000087000000000, -0.0000098400000000, -0.0000003700000000 ]  - [  -0.0000245800000000, -0.0000109100000000,  0.0000256000000000 ]  - [   0.0000094200000000, -0.0000042200000000, -0.0000256300000000 ]  - [  -0.0000091600000000, -0.0000057300000000, -0.0000171500000000 ]  - [   0.0004676100000000, -0.0218037200000000,  0.0115242300000000 ]  - [   0.0006292800000000,  0.0217703900000000, -0.0116009600000000 ]  - [   0.0000015100000000,  0.0000108600000000, -0.0000216500000000 ]  - [  -0.2313625300000000, -0.0034263800000000,  0.0019998500000000 ]  - [   0.0000011800000000, -0.0000007600000000, -0.0000023800000000 ]  - [   0.0112187000000000, -0.0001316400000000,  0.0000733200000000 ]  - [   0.0000087900000000, -0.0000009900000000,  0.0000051700000000 ]  - [   0.0000847200000000, -0.0000002900000000,  0.0000070900000000 ]  - [  -0.0001769600000000, -0.0000013900000000,  0.0000125400000000 ]  - [   0.0363758700000000,  0.0001761200000000, -0.0000797600000000 ]  - [  -0.0000060900000000,  0.0000008200000000,  0.0000017100000000 ]  - [   0.0001354100000000,  0.0000009100000000,  0.0000006800000000 ]  - [   0.0010518000000000, -0.0000007200000000,  0.0000006300000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0051431400000000, -0.0029693900000000, -0.0033466400000000 ]  - [   0.0000000000000000,  0.0059387800000000, -0.0033466400000000 ]  - [  -0.0051431400000000, -0.0029693900000000, -0.0033466400000000 ]  - [  -0.0007123400000000, -0.0004112700000000, -0.0051572800000000 ]  - [   0.0000000000000000, -0.0052008300000000, -0.0074862900000000 ]  - [   0.0007123400000000, -0.0004112700000000, -0.0051572800000000 ]  - [   0.0000000000000000,  0.0008225400000000, -0.0051572800000000 ]  - [   0.0006490900000000, -0.0003747500000000, -0.0052264500000000 ]  - [  -0.0006490900000000, -0.0003747500000000, -0.0052264500000000 ]  - [   0.0045040500000000,  0.0026004100000000, -0.0074862900000000 ]  - [  -0.0045040500000000,  0.0026004100000000, -0.0074862900000000 ]  - [   0.0000000000000000,  0.0007495000000000, -0.0052264500000000 ]  - [   0.0267273100000000, -0.0154310200000000,  0.0373666500000000 ]  - [   0.0000000000000000,  0.0308620400000000,  0.0373666500000000 ]  - [  -0.0267273100000000, -0.0154310200000000,  0.0373666500000000 ]  - [   0.0005533800000000,  0.0003195000000000, -0.0047165800000000 ]  - [  -0.0002397000000000, -0.0001383900000000, -0.0052983700000000 ]  - [   0.0002397000000000, -0.0001383900000000, -0.0052983700000000 ]  - [   0.0000000000000000,  0.0002767800000000, -0.0052983700000000 ]  - [   0.0002283000000000, -0.0001318100000000, -0.0053280000000000 ]  - [  -0.0002283000000000, -0.0001318100000000, -0.0053280000000000 ]  - [   0.0011942800000000,  0.0006895200000000,  0.0124078700000000 ]  - [  -0.0011942800000000,  0.0006895200000000,  0.0124078700000000 ]  - [   0.0000000000000000,  0.0002636200000000, -0.0053280000000000 ]  - [   0.0000000000000000, -0.0004862700000000, -0.0051691700000000 ]  - [  -0.0005533800000000,  0.0003195000000000, -0.0047165800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057357800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012821400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058110800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041266100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063242500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0213816500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063459200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1050735000000000 ]  - [   0.0000000000000000, -0.0006389900000000, -0.0047165800000000 ]  - [  -0.0004211200000000,  0.0002431300000000, -0.0051691700000000 ]  - [   0.0004211200000000,  0.0002431300000000, -0.0051691700000000 ]  - [   0.0000000000000000, -0.0013790300000000,  0.0124078700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0169023400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084033000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084457200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0081802000000000 ]  - [  -0.0151827900000000,  0.0087657900000000,  0.0135798700000000 ]  - [   0.0000000000000000, -0.0175315800000000,  0.0135798700000000 ]  - [   0.0151827900000000,  0.0087657900000000,  0.0135798700000000 ]  - [   0.0001889800000000,  0.0001091100000000,  0.0073801100000000 ]  - [   0.0000000000000000, -0.0023728400000000, -0.0070721900000000 ]  - [  -0.0001889800000000,  0.0001091100000000,  0.0073801100000000 ]  - [   0.0000000000000000, -0.0002182200000000,  0.0073801100000000 ]  - [  -0.0001316300000000,  0.0000760000000000,  0.0073338300000000 ]  - [   0.0001316300000000,  0.0000760000000000,  0.0073338300000000 ]  - [   0.0020549400000000,  0.0011864200000000, -0.0070721900000000 ]  - [  -0.0020549400000000,  0.0011864200000000, -0.0070721900000000 ]  - [   0.0000000000000000, -0.0001519900000000,  0.0073338300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2147485700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0082090100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0288822900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0082323600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079158000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065442700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0468667000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083393300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078157200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086248100000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0052272900000000,  0.0030179800000000,  0.0033823400000000 ]  - [   0.0000000000000000, -0.0060359500000000,  0.0033823400000000 ]  - [   0.0052272900000000,  0.0030179800000000,  0.0033823400000000 ]  - [   0.0007317700000000,  0.0004224900000000,  0.0052227200000000 ]  - [   0.0000000000000000,  0.0051972300000000,  0.0074546200000000 ]  - [  -0.0007317700000000,  0.0004224900000000,  0.0052227200000000 ]  - [   0.0000000000000000, -0.0008449800000000,  0.0052227200000000 ]  - [  -0.0006330400000000,  0.0003654900000000,  0.0051924200000000 ]  - [   0.0006330400000000,  0.0003654900000000,  0.0051924200000000 ]  - [  -0.0045009300000000, -0.0025986100000000,  0.0074546200000000 ]  - [   0.0045009300000000, -0.0025986100000000,  0.0074546200000000 ]  - [   0.0000000000000000, -0.0007309700000000,  0.0051924200000000 ]  - [  -0.0268979000000000,  0.0155295100000000, -0.0370631600000000 ]  - [   0.0000000000000000, -0.0310590200000000, -0.0370631600000000 ]  - [   0.0268979000000000,  0.0155295100000000, -0.0370631600000000 ]  - [  -0.0005627100000000, -0.0003248800000000,  0.0047249900000000 ]  - [   0.0002412700000000,  0.0001393000000000,  0.0053471200000000 ]  - [  -0.0002412700000000,  0.0001393000000000,  0.0053471200000000 ]  - [   0.0000000000000000, -0.0002786000000000,  0.0053471200000000 ]  - [  -0.0002284800000000,  0.0001319100000000,  0.0053120500000000 ]  - [   0.0002284800000000,  0.0001319100000000,  0.0053120500000000 ]  - [  -0.0011860800000000, -0.0006847800000000, -0.0123640300000000 ]  - [   0.0011860800000000, -0.0006847800000000, -0.0123640300000000 ]  - [   0.0000000000000000, -0.0002638300000000,  0.0053120500000000 ]  - [   0.0000000000000000,  0.0004871200000000,  0.0051846200000000 ]  - [   0.0005627100000000, -0.0003248800000000,  0.0047249900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057313900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012802400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058482800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042598700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063667600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0215098100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063412800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0974002400000000 ]  - [   0.0000000000000000,  0.0006497600000000,  0.0047249900000000 ]  - [   0.0004218500000000, -0.0002435600000000,  0.0051846200000000 ]  - [  -0.0004218500000000, -0.0002435600000000,  0.0051846200000000 ]  - [   0.0000000000000000,  0.0013695700000000, -0.0123640300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0170852900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084449800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084527200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0081819200000000 ]  - [   0.0151656300000000, -0.0087558800000000, -0.0134358800000000 ]  - [   0.0000000000000000,  0.0175117600000000, -0.0134358800000000 ]  - [  -0.0151656300000000, -0.0087558800000000, -0.0134358800000000 ]  - [  -0.0001720600000000, -0.0000993400000000, -0.0073549900000000 ]  - [   0.0000000000000000,  0.0024665900000000,  0.0073803700000000 ]  - [   0.0001720600000000, -0.0000993400000000, -0.0073549900000000 ]  - [   0.0000000000000000,  0.0001986800000000, -0.0073549900000000 ]  - [   0.0001502200000000, -0.0000867300000000, -0.0074011900000000 ]  - [  -0.0001502200000000, -0.0000867300000000, -0.0074011900000000 ]  - [  -0.0021361300000000, -0.0012332900000000,  0.0073803700000000 ]  - [   0.0021361300000000, -0.0012332900000000,  0.0073803700000000 ]  - [   0.0000000000000000,  0.0001734600000000, -0.0074011900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2055360800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082456100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0287223000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082483800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079427000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065238100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0465937000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0083666600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0078377300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086663000000000 ]- atom:   59  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000081700000000, -0.0000072300000000,  0.0000304100000000 ]  - [  -0.0000039400000000,  0.0000117100000000,  0.0000242100000000 ]  - [  -0.0000088100000000, -0.0000030300000000,  0.0000181200000000 ]  - [   0.0005550500000000,  0.0044151300000000,  0.0044240100000000 ]  - [  -0.0071071400000000, -0.0000117100000000,  0.0000135500000000 ]  - [   0.0005187500000000, -0.0044112000000000, -0.0043968500000000 ]  - [  -0.0071071400000000, -0.0000117100000000, -0.0000135500000000 ]  - [   0.0000081700000000, -0.0000072300000000, -0.0000304100000000 ]  - [  -0.0000088100000000, -0.0000030300000000, -0.0000181200000000 ]  - [   0.0005550500000000,  0.0044151300000000, -0.0044240100000000 ]  - [   0.0005187500000000, -0.0044112000000000,  0.0043968500000000 ]  - [  -0.0000039400000000,  0.0000117100000000, -0.0000242100000000 ]  - [   0.0000010300000000, -0.0000413500000000,  0.0000465600000000 ]  - [  -0.0000707800000000, -0.0000002500000000,  0.0000168400000000 ]  - [   0.0000018300000000,  0.0000420200000000, -0.0000149600000000 ]  - [  -0.0000002500000000,  0.0000010900000000,  0.0000000000000000 ]  - [   0.0003581400000000,  0.0006415800000000,  0.0008991500000000 ]  - [   0.0003360900000000, -0.0006355100000000, -0.0008619400000000 ]  - [  -0.0007588600000000, -0.0000092400000000,  0.0000234800000000 ]  - [   0.0000010300000000, -0.0000413500000000, -0.0000465600000000 ]  - [   0.0000018300000000,  0.0000420200000000,  0.0000149600000000 ]  - [   0.0003581400000000,  0.0006415800000000, -0.0008991500000000 ]  - [   0.0003360900000000, -0.0006355100000000,  0.0008619400000000 ]  - [  -0.0000707800000000, -0.0000002500000000, -0.0000168400000000 ]  - [   0.0099125300000000,  0.0004724700000000,  0.0000000000000000 ]  - [   0.0000013900000000, -0.0000004700000000,  0.0000000000000000 ]  - [   0.0000048700000000,  0.0000000400000000, -0.0000111600000000 ]  - [   0.0138399900000000,  0.0000110800000000, -0.0000464300000000 ]  - [   0.0138399900000000,  0.0000110800000000,  0.0000464300000000 ]  - [   0.0000048700000000,  0.0000000400000000,  0.0000111600000000 ]  - [   0.0008723500000000,  0.0000042600000000,  0.0000036200000000 ]  - [   0.0000815800000000, -0.0000003300000000,  0.0000092700000000 ]  - [   0.0000815800000000, -0.0000003300000000, -0.0000092700000000 ]  - [   0.0008723500000000,  0.0000042600000000, -0.0000036200000000 ]  - [  -0.0000007400000000, -0.0000005600000000,  0.0000000000000000 ]  - [   0.0998545800000000, -0.0516499500000000,  0.0000000000000000 ]  - [   0.1060088900000000,  0.0557888400000000,  0.0000000000000000 ]  - [  -0.0007588600000000, -0.0000092400000000, -0.0000234800000000 ]  - [  -0.0000030300000000, -0.0000006000000000, -0.0000080000000000 ]  - [   0.0318997800000000,  0.0001021800000000, -0.0000442400000000 ]  - [   0.0318997800000000,  0.0001021800000000,  0.0000442400000000 ]  - [  -0.0000030300000000, -0.0000006000000000,  0.0000080000000000 ]  - [   0.0003017100000000, -0.0016298000000000, -0.0042009600000000 ]  - [  -0.0024792900000000, -0.0000216000000000,  0.0000377500000000 ]  - [   0.0003735900000000,  0.0016229400000000,  0.0042258400000000 ]  - [   0.0000103800000000,  0.0000044600000000,  0.0000158900000000 ]  - [   0.0000013600000000, -0.0000110600000000, -0.0000227800000000 ]  - [  -0.0000094200000000,  0.0000054700000000,  0.0000297200000000 ]  - [   0.0000013600000000, -0.0000110600000000,  0.0000227800000000 ]  - [   0.0003017100000000, -0.0016298000000000,  0.0042009600000000 ]  - [   0.0003735900000000,  0.0016229400000000, -0.0042258400000000 ]  - [   0.0000103800000000,  0.0000044600000000, -0.0000158900000000 ]  - [  -0.0000094200000000,  0.0000054700000000, -0.0000297200000000 ]  - [  -0.0024792900000000, -0.0000216000000000, -0.0000377500000000 ]  - [   0.0000843100000000,  0.0000005900000000, -0.0000057800000000 ]  - [  -0.0001773900000000,  0.0000026900000000,  0.0000025800000000 ]  - [  -0.0001773900000000,  0.0000026900000000, -0.0000025800000000 ]  - [   0.0000843100000000,  0.0000005900000000,  0.0000057800000000 ]  - [  -0.3197787000000000, -0.0045434000000000,  0.0000000000000000 ]  - [   0.0000026600000000, -0.0000001900000000,  0.0000000000000000 ]  - [   0.0001923900000000, -0.0000015600000000,  0.0000037100000000 ]  - [   0.0001923900000000, -0.0000015600000000, -0.0000037100000000 ]  - [   0.0263538700000000, -0.0002272800000000,  0.0000000000000000 ]  - [   0.0000003500000000,  0.0000001200000000,  0.0000000000000000 ]- atom:   59  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0008821200000000,  0.0005092900000000, -0.0059053800000000 ]  - [   0.0000000000000000, -0.0010185900000000, -0.0059053800000000 ]  - [   0.0008821200000000,  0.0005092900000000, -0.0059053800000000 ]  - [   0.0016388800000000,  0.0009462100000000,  0.0073426300000000 ]  - [   0.0000000000000000,  0.0018445000000000,  0.0071987100000000 ]  - [  -0.0016388800000000,  0.0009462100000000,  0.0073426300000000 ]  - [   0.0000000000000000, -0.0018924100000000,  0.0073426300000000 ]  - [   0.0009007900000000, -0.0005200700000000, -0.0059539600000000 ]  - [  -0.0009007900000000, -0.0005200700000000, -0.0059539600000000 ]  - [  -0.0015973900000000, -0.0009222500000000,  0.0071987100000000 ]  - [   0.0015973900000000, -0.0009222500000000,  0.0071987100000000 ]  - [   0.0000000000000000,  0.0010401400000000, -0.0059539600000000 ]  - [  -0.0000605100000000,  0.0000349400000000, -0.0057984900000000 ]  - [   0.0000000000000000, -0.0000698700000000, -0.0057984900000000 ]  - [   0.0000605100000000,  0.0000349400000000, -0.0057984900000000 ]  - [   0.0000001500000000,  0.0000000900000000, -0.0057989100000000 ]  - [  -0.0042510600000000, -0.0024543500000000, -0.0081452200000000 ]  - [   0.0042510600000000, -0.0024543500000000, -0.0081452200000000 ]  - [   0.0000000000000000,  0.0049087000000000, -0.0081452200000000 ]  - [   0.0000575500000000, -0.0000332300000000, -0.0058285300000000 ]  - [  -0.0000575500000000, -0.0000332300000000, -0.0058285300000000 ]  - [   0.0042353800000000,  0.0024453000000000, -0.0081658300000000 ]  - [  -0.0042353800000000,  0.0024453000000000, -0.0081658300000000 ]  - [   0.0000000000000000,  0.0000664600000000, -0.0058285300000000 ]  - [   0.0000000000000000,  0.0004838000000000,  0.0291742100000000 ]  - [  -0.0000001500000000,  0.0000000900000000, -0.0057989100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064874100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0213511900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0204171000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064654200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024881000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079186500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079402200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025336800000000 ]  - [   0.0000000000000000, -0.0000001700000000, -0.0057989100000000 ]  - [   0.0004189900000000, -0.0002419000000000,  0.0291742100000000 ]  - [  -0.0004189900000000, -0.0002419000000000,  0.0291742100000000 ]  - [   0.0000000000000000, -0.0048905900000000, -0.0081658300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0095865800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0264962400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0261613600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096029800000000 ]  - [  -0.0159135000000000,  0.0091876600000000,  0.0116272700000000 ]  - [   0.0000000000000000, -0.0183753300000000,  0.0116272700000000 ]  - [   0.0159135000000000,  0.0091876600000000,  0.0116272700000000 ]  - [  -0.0000609600000000, -0.0000351900000000,  0.0084218800000000 ]  - [   0.0000000000000000, -0.0000906100000000,  0.0083768300000000 ]  - [   0.0000609600000000, -0.0000351900000000,  0.0084218800000000 ]  - [   0.0000000000000000,  0.0000703900000000,  0.0084218800000000 ]  - [   0.0160519200000000, -0.0092675800000000,  0.0116728000000000 ]  - [  -0.0160519200000000, -0.0092675800000000,  0.0116728000000000 ]  - [   0.0000784700000000,  0.0000453100000000,  0.0083768300000000 ]  - [  -0.0000784700000000,  0.0000453100000000,  0.0083768300000000 ]  - [   0.0000000000000000,  0.0185351600000000,  0.0116728000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079287400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065231300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065408400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079289800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0409930100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0105055600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0110438800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0110487400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0346562300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085451500000000 ]- atom:   61  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002159000000000, -0.0028213300000000, -0.0044479400000000 ]  - [  -0.0046803600000000,  0.0000242400000000,  0.0000243300000000 ]  - [   0.0001681500000000,  0.0028047000000000,  0.0044986900000000 ]  - [   0.0000056600000000,  0.0000208900000000, -0.0000084400000000 ]  - [  -0.0046803600000000, -0.0000242400000000, -0.0000243300000000 ]  - [  -0.0000110600000000, -0.0000110400000000,  0.0000602500000000 ]  - [  -0.0000303700000000, -0.0000131800000000,  0.0000248000000000 ]  - [   0.0000056600000000, -0.0000208900000000,  0.0000084400000000 ]  - [  -0.0000110600000000,  0.0000110400000000, -0.0000602500000000 ]  - [   0.0002159000000000,  0.0028213300000000,  0.0044479400000000 ]  - [   0.0001681500000000, -0.0028047000000000, -0.0044986900000000 ]  - [  -0.0000303700000000,  0.0000131800000000, -0.0000248000000000 ]  - [   0.0351465800000000, -0.0115429100000000, -0.0134085200000000 ]  - [   0.0152328300000000, -0.0001714000000000,  0.0001385000000000 ]  - [   0.0335453600000000,  0.0105352300000000,  0.0119943700000000 ]  - [   0.0000125800000000,  0.0003108400000000, -0.0000727200000000 ]  - [  -0.0000019900000000, -0.0000020500000000,  0.0000208800000000 ]  - [   0.0000003900000000,  0.0000009600000000,  0.0000116400000000 ]  - [   0.0000018000000000,  0.0000007000000000,  0.0000160100000000 ]  - [  -0.0000019900000000,  0.0000020500000000, -0.0000208800000000 ]  - [   0.0000003900000000, -0.0000009600000000, -0.0000116400000000 ]  - [   0.0351465800000000,  0.0115429100000000,  0.0134085200000000 ]  - [   0.0335453600000000, -0.0105352300000000, -0.0119943700000000 ]  - [   0.0000018000000000, -0.0000007000000000, -0.0000160100000000 ]  - [  -0.0005242300000000,  0.0000003000000000, -0.0000006500000000 ]  - [   0.0000157600000000, -0.0003107800000000,  0.0000737000000000 ]  - [   0.0000199300000000, -0.0000016400000000, -0.0000123400000000 ]  - [   0.0055544000000000,  0.0000118800000000, -0.0000168900000000 ]  - [   0.0000199300000000,  0.0000016400000000,  0.0000123400000000 ]  - [   0.0055544000000000, -0.0000118800000000,  0.0000168900000000 ]  - [  -0.0000032000000000,  0.0000007600000000,  0.0000110900000000 ]  - [  -0.0046840900000000, -0.0000307300000000,  0.0000371400000000 ]  - [  -0.0000032000000000, -0.0000007600000000, -0.0000110900000000 ]  - [  -0.0046840900000000,  0.0000307300000000, -0.0000371400000000 ]  - [  -0.0005242300000000, -0.0000003000000000,  0.0000006500000000 ]  - [   0.0000125800000000, -0.0003108400000000,  0.0000727200000000 ]  - [   0.0000157600000000,  0.0003107800000000, -0.0000737000000000 ]  - [   0.0152328300000000,  0.0001714000000000, -0.0001385000000000 ]  - [   0.0027069300000000, -0.0000006500000000, -0.0000025300000000 ]  - [   0.0000175200000000,  0.0000004300000000, -0.0000078400000000 ]  - [   0.0027069300000000,  0.0000006500000000,  0.0000025300000000 ]  - [   0.0000175200000000, -0.0000004300000000,  0.0000078400000000 ]  - [   0.0031796300000000, -0.0158074400000000,  0.0197066600000000 ]  - [  -0.0241232600000000, -0.0000278200000000,  0.0000100800000000 ]  - [   0.0032545500000000,  0.0157628300000000, -0.0195468800000000 ]  - [   0.0000096100000000, -0.0000046800000000,  0.0000100500000000 ]  - [  -0.0241232600000000,  0.0000278200000000, -0.0000100800000000 ]  - [  -0.0000097900000000,  0.0000142500000000,  0.0000365300000000 ]  - [   0.0000163000000000, -0.0000109500000000,  0.0000233300000000 ]  - [   0.0000096100000000,  0.0000046800000000, -0.0000100500000000 ]  - [  -0.0000097900000000, -0.0000142500000000, -0.0000365300000000 ]  - [   0.0031796300000000,  0.0158074400000000, -0.0197066600000000 ]  - [   0.0032545500000000, -0.0157628300000000,  0.0195468800000000 ]  - [   0.0000163000000000,  0.0000109500000000, -0.0000233300000000 ]  - [   0.0363775300000000, -0.0001343800000000, -0.0001073600000000 ]  - [  -0.0000074200000000, -0.0000002900000000, -0.0000041400000000 ]  - [   0.0363775300000000,  0.0001343800000000,  0.0001073600000000 ]  - [  -0.0000074200000000,  0.0000002900000000,  0.0000041400000000 ]  - [   0.0001919900000000,  0.0000007500000000, -0.0000003000000000 ]  - [   0.0001919900000000, -0.0000007500000000,  0.0000003000000000 ]  - [  -0.2020900400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000075000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005563600000000, -0.0000002600000000, -0.0000004500000000 ]  - [  -0.0005563600000000,  0.0000002600000000,  0.0000004500000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0016097600000000, -0.0009293900000000, -0.0035578000000000 ]  - [   0.0000000000000000,  0.0018587900000000, -0.0035578000000000 ]  - [  -0.0016097600000000, -0.0009293900000000, -0.0035578000000000 ]  - [  -0.0007573200000000, -0.0004372400000000, -0.0052544800000000 ]  - [   0.0000000000000000,  0.0018323000000000, -0.0035739000000000 ]  - [   0.0007573200000000, -0.0004372400000000, -0.0052544800000000 ]  - [   0.0000000000000000,  0.0008744700000000, -0.0052544800000000 ]  - [   0.0007737300000000, -0.0004467100000000, -0.0053047000000000 ]  - [  -0.0007737300000000, -0.0004467100000000, -0.0053047000000000 ]  - [  -0.0015868100000000, -0.0009161500000000, -0.0035739000000000 ]  - [   0.0015868100000000, -0.0009161500000000, -0.0035739000000000 ]  - [   0.0000000000000000,  0.0008934200000000, -0.0053047000000000 ]  - [  -0.0158550000000000,  0.0091538900000000,  0.0438973600000000 ]  - [   0.0000000000000000, -0.0183077800000000,  0.0438973600000000 ]  - [   0.0158550000000000,  0.0091538900000000,  0.0438973600000000 ]  - [  -0.0003933900000000, -0.0002271200000000, -0.0051929600000000 ]  - [  -0.0002441600000000, -0.0001409700000000, -0.0053841000000000 ]  - [   0.0002441600000000, -0.0001409700000000, -0.0053841000000000 ]  - [   0.0000000000000000,  0.0002819300000000, -0.0053841000000000 ]  - [   0.0002440600000000, -0.0001409100000000, -0.0054171400000000 ]  - [  -0.0002440600000000, -0.0001409100000000, -0.0054171400000000 ]  - [   0.0170639200000000,  0.0098518600000000,  0.0447604000000000 ]  - [  -0.0170639200000000,  0.0098518600000000,  0.0447604000000000 ]  - [   0.0000000000000000,  0.0002818200000000, -0.0054171400000000 ]  - [   0.0000000000000000,  0.0004626000000000, -0.0051949200000000 ]  - [   0.0003933900000000, -0.0002271200000000, -0.0051929600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059008400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0087314500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058779800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086681300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064403600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0226713600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064646700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0227036700000000 ]  - [   0.0000000000000000,  0.0004542400000000, -0.0051929600000000 ]  - [   0.0004006200000000, -0.0002313000000000, -0.0051949200000000 ]  - [  -0.0004006200000000, -0.0002313000000000, -0.0051949200000000 ]  - [   0.0000000000000000, -0.0197037100000000,  0.0447604000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084329200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086543200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084222400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086693300000000 ]  - [   0.0184098700000000, -0.0106289400000000,  0.0174217900000000 ]  - [   0.0000000000000000,  0.0212578900000000,  0.0174217900000000 ]  - [  -0.0184098700000000, -0.0106289400000000,  0.0174217900000000 ]  - [   0.0001608200000000,  0.0000928500000000,  0.0074992200000000 ]  - [   0.0000000000000000,  0.0209524000000000,  0.0172219100000000 ]  - [  -0.0001608200000000,  0.0000928500000000,  0.0074992200000000 ]  - [   0.0000000000000000, -0.0001857000000000,  0.0074992200000000 ]  - [  -0.0001436500000000,  0.0000829300000000,  0.0074535600000000 ]  - [   0.0001436500000000,  0.0000829300000000,  0.0074535600000000 ]  - [  -0.0181453100000000, -0.0104762000000000,  0.0172219100000000 ]  - [   0.0181453100000000, -0.0104762000000000,  0.0172219100000000 ]  - [   0.0000000000000000, -0.0001658700000000,  0.0074535600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0467249300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083468100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0467382100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083574800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0110650000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0110317600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3041787200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084806100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0073794600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0073876000000000 ]- atom:   63  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000065600000000, -0.0000110900000000,  0.0000088700000000 ]  - [  -0.0000123300000000,  0.0000117900000000,  0.0000247900000000 ]  - [  -0.0000107700000000,  0.0000007400000000,  0.0000405200000000 ]  - [   0.0018867000000000, -0.0006283300000000,  0.0011591700000000 ]  - [   0.0030041900000000,  0.0000053000000000, -0.0000449000000000 ]  - [   0.0019882800000000,  0.0006033600000000, -0.0010450900000000 ]  - [   0.0030041900000000,  0.0000053000000000,  0.0000449000000000 ]  - [   0.0000065600000000, -0.0000110900000000, -0.0000088700000000 ]  - [  -0.0000107700000000,  0.0000007400000000, -0.0000405200000000 ]  - [   0.0018867000000000, -0.0006283300000000, -0.0011591700000000 ]  - [   0.0019882800000000,  0.0006033600000000,  0.0010450900000000 ]  - [  -0.0000123300000000,  0.0000117900000000, -0.0000247900000000 ]  - [   0.0000198900000000,  0.0000297400000000,  0.0001714700000000 ]  - [   0.0000716900000000, -0.0000007600000000,  0.0000151500000000 ]  - [   0.0000213900000000, -0.0000292100000000, -0.0001397500000000 ]  - [   0.0000000600000000,  0.0000038000000000,  0.0000000000000000 ]  - [   0.0001773100000000,  0.0006426000000000, -0.0009398200000000 ]  - [   0.0001952100000000, -0.0006445300000000,  0.0009704100000000 ]  - [  -0.0009284000000000,  0.0000053000000000,  0.0000144600000000 ]  - [   0.0000198900000000,  0.0000297400000000, -0.0001714700000000 ]  - [   0.0000213900000000, -0.0000292100000000,  0.0001397500000000 ]  - [   0.0001773100000000,  0.0006426000000000,  0.0009398200000000 ]  - [   0.0001952100000000, -0.0006445300000000, -0.0009704100000000 ]  - [   0.0000716900000000, -0.0000007600000000, -0.0000151500000000 ]  - [  -0.0118000300000000,  0.0000236100000000,  0.0000000000000000 ]  - [   0.0000015400000000, -0.0000030800000000,  0.0000000000000000 ]  - [   0.0000170000000000, -0.0000001200000000, -0.0000113700000000 ]  - [  -0.0011597500000000, -0.0000178800000000,  0.0000205300000000 ]  - [  -0.0011597500000000, -0.0000178800000000, -0.0000205300000000 ]  - [   0.0000170000000000, -0.0000001200000000,  0.0000113700000000 ]  - [   0.0012276500000000, -0.0000055900000000,  0.0000108500000000 ]  - [  -0.0000544200000000, -0.0000001700000000,  0.0000117300000000 ]  - [  -0.0000544200000000, -0.0000001700000000, -0.0000117300000000 ]  - [   0.0012276500000000, -0.0000055900000000, -0.0000108500000000 ]  - [  -0.0000051200000000, -0.0000006900000000,  0.0000000000000000 ]  - [   0.0018939100000000, -0.0079037100000000,  0.0000000000000000 ]  - [   0.0018951100000000,  0.0079155800000000,  0.0000000000000000 ]  - [  -0.0009284000000000,  0.0000053000000000, -0.0000144600000000 ]  - [   0.0000109400000000, -0.0000006700000000, -0.0000080200000000 ]  - [   0.0142390300000000, -0.0001509800000000,  0.0000983900000000 ]  - [   0.0142390300000000, -0.0001509800000000, -0.0000983900000000 ]  - [   0.0000109400000000, -0.0000006700000000,  0.0000080200000000 ]  - [   0.0006298000000000, -0.0038401100000000,  0.0059397500000000 ]  - [  -0.0060643400000000,  0.0000310900000000,  0.0000349000000000 ]  - [   0.0005414800000000,  0.0038387000000000, -0.0059168700000000 ]  - [   0.0000099300000000,  0.0000437100000000,  0.0000591100000000 ]  - [  -0.0000664500000000, -0.0000104600000000, -0.0000232400000000 ]  - [  -0.0000080500000000, -0.0000341100000000, -0.0000132600000000 ]  - [  -0.0000664500000000, -0.0000104600000000,  0.0000232400000000 ]  - [   0.0006298000000000, -0.0038401100000000, -0.0059397500000000 ]  - [   0.0005414800000000,  0.0038387000000000,  0.0059168700000000 ]  - [   0.0000099300000000,  0.0000437100000000, -0.0000591100000000 ]  - [  -0.0000080500000000, -0.0000341100000000,  0.0000132600000000 ]  - [  -0.0060643400000000,  0.0000310900000000, -0.0000349000000000 ]  - [   0.0001374100000000, -0.0000004600000000, -0.0000024300000000 ]  - [   0.0010515500000000, -0.0000028000000000, -0.0000111000000000 ]  - [   0.0010515500000000, -0.0000028000000000,  0.0000111000000000 ]  - [   0.0001374100000000, -0.0000004600000000,  0.0000024300000000 ]  - [   0.0263535800000000,  0.0002963200000000,  0.0000000000000000 ]  - [   0.0000019600000000, -0.0000003100000000,  0.0000000000000000 ]  - [  -0.0005571700000000,  0.0000012600000000, -0.0000005400000000 ]  - [  -0.0005571700000000,  0.0000012600000000,  0.0000005400000000 ]  - [  -0.0510854800000000, -0.0000042800000000,  0.0000000000000000 ]  - [  -0.0000041500000000,  0.0000001500000000,  0.0000000000000000 ]- atom:   63  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0006584000000000,  0.0003801300000000, -0.0047457000000000 ]  - [   0.0000000000000000, -0.0007602600000000, -0.0047457000000000 ]  - [   0.0006584000000000,  0.0003801300000000, -0.0047457000000000 ]  - [   0.0032675500000000,  0.0018865200000000,  0.0058491500000000 ]  - [   0.0000000000000000,  0.0038990600000000,  0.0054893200000000 ]  - [  -0.0032675500000000,  0.0018865200000000,  0.0058491500000000 ]  - [   0.0000000000000000, -0.0037730400000000,  0.0058491500000000 ]  - [   0.0006663400000000, -0.0003847100000000, -0.0047510400000000 ]  - [  -0.0006663400000000, -0.0003847100000000, -0.0047510400000000 ]  - [  -0.0033766900000000, -0.0019495300000000,  0.0054893200000000 ]  - [   0.0033766900000000, -0.0019495300000000,  0.0054893200000000 ]  - [   0.0000000000000000,  0.0007694300000000, -0.0047510400000000 ]  - [  -0.0002413800000000,  0.0001393600000000, -0.0049227600000000 ]  - [   0.0000000000000000, -0.0002787200000000, -0.0049227600000000 ]  - [   0.0002413800000000,  0.0001393600000000, -0.0049227600000000 ]  - [  -0.0000009200000000, -0.0000005300000000, -0.0046823900000000 ]  - [   0.0007821500000000,  0.0004515700000000, -0.0045796300000000 ]  - [  -0.0007821500000000,  0.0004515700000000, -0.0045796300000000 ]  - [   0.0000000000000000, -0.0009031500000000, -0.0045796300000000 ]  - [   0.0002472400000000, -0.0001427400000000, -0.0049167600000000 ]  - [  -0.0002472400000000, -0.0001427400000000, -0.0049167600000000 ]  - [  -0.0007783200000000, -0.0004493600000000, -0.0045786400000000 ]  - [   0.0007783200000000, -0.0004493600000000, -0.0045786400000000 ]  - [   0.0000000000000000,  0.0002854800000000, -0.0049167600000000 ]  - [   0.0000000000000000, -0.0000101700000000,  0.0216931300000000 ]  - [   0.0000009200000000, -0.0000005300000000, -0.0046823900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053343700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049614300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0050115300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053364800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062472400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056700700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056601000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062269600000000 ]  - [   0.0000000000000000,  0.0000010600000000, -0.0046823900000000 ]  - [  -0.0000088000000000,  0.0000050800000000,  0.0216931300000000 ]  - [   0.0000088000000000,  0.0000050800000000,  0.0216931300000000 ]  - [   0.0000000000000000,  0.0008987300000000, -0.0045786400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0077402000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0283458200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0281101400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0077459100000000 ]  - [   0.0065276300000000, -0.0037687300000000,  0.0121323300000000 ]  - [   0.0000000000000000,  0.0075374600000000,  0.0121323300000000 ]  - [  -0.0065276300000000, -0.0037687300000000,  0.0121323300000000 ]  - [   0.0001891800000000,  0.0001092200000000,  0.0067468100000000 ]  - [   0.0000000000000000,  0.0002028900000000,  0.0067225100000000 ]  - [  -0.0001891800000000,  0.0001092200000000,  0.0067468100000000 ]  - [   0.0000000000000000, -0.0002184500000000,  0.0067468100000000 ]  - [  -0.0065986000000000,  0.0038097000000000,  0.0122299400000000 ]  - [   0.0065986000000000,  0.0038097000000000,  0.0122299400000000 ]  - [  -0.0001757100000000, -0.0001014500000000,  0.0067225100000000 ]  - [   0.0001757100000000, -0.0001014500000000,  0.0067225100000000 ]  - [   0.0000000000000000, -0.0076194100000000,  0.0122299400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078192200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086355400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0086528500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078336700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0346563800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085446200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0073840100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0073794900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0760714900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0068917700000000 ]