# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f2555856-0d67-460c-a95c-d1112d79086a/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 Sr4Ti3O10 / I4/mmm (139) / materials id 31213](https://mdr.nims.go.jp/datasets/cd2d875e-416a-40d5-839d-fb3465139aa6)

## 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: "I4/mmm"  number: 139  Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -1.948122605000000,     1.948122605000000,    14.021439285000000 ] # a  - [     1.948122605000000,    -1.948122605000000,    14.021439285000000 ] # b  - [     1.948122605000000,     1.948122605000000,   -14.021439285000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.639020870000000,  0.139020870000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.790274010000000,  0.790274010000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.209725990000000,  0.209725990000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.069568720000000,  0.069568720000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.930431280000000,  0.930431280000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.139020870000000,  0.639020870000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.860979130000000,  0.360979130000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.360979130000000,  0.860979130000000,  0.500000000000000 ]    mass: 15.999400  - symbol: Ti # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 47.867000  - symbol: Ti # 12    coordinates: [  0.859643450000000,  0.859643450000000,  0.000000000000000 ]    mass: 47.867000  - symbol: Ti # 13    coordinates: [  0.140356550000000,  0.140356550000000,  0.000000000000000 ]    mass: 47.867000  - symbol: Sr # 14    coordinates: [  0.568501650000000,  0.568501650000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 15    coordinates: [  0.431498350000000,  0.431498350000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 16    coordinates: [  0.297679270000000,  0.297679270000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 17    coordinates: [  0.702320730000000,  0.702320730000000,  0.000000000000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.256657357558869,     0.035659677286831 ] # a*  - [     0.256657357558869,     0.000000000000000,     0.035659677286831 ] # b*  - [     0.256657357558869,     0.256657357558869,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     3.896245210000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.896245210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    28.042878569999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.290274010000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.209725990000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.069568720000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.430431280000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.790274010000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 13    coordinates: [  0.500000000000000,  0.500000000000000,  0.709725990000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.569568720000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.930431280000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 10  - symbol: Ti # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 47.867000    reduced_to: 21  - symbol: Ti # 22    coordinates: [  0.500000000000000,  0.500000000000000,  0.359643450000000 ]    mass: 47.867000    reduced_to: 22  - symbol: Ti # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.140356550000000 ]    mass: 47.867000    reduced_to: 23  - symbol: Ti # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 47.867000    reduced_to: 21  - symbol: Ti # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.859643450000000 ]    mass: 47.867000    reduced_to: 22  - symbol: Ti # 26    coordinates: [  0.500000000000000,  0.500000000000000,  0.640356550000000 ]    mass: 47.867000    reduced_to: 23  - symbol: Sr # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.068501650000000 ]    mass: 87.620000    reduced_to: 27  - symbol: Sr # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.431498350000000 ]    mass: 87.620000    reduced_to: 28  - symbol: Sr # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.297679270000000 ]    mass: 87.620000    reduced_to: 29  - symbol: Sr # 30    coordinates: [  0.500000000000000,  0.500000000000000,  0.202320730000000 ]    mass: 87.620000    reduced_to: 30  - symbol: Sr # 31    coordinates: [  0.000000000000000,  0.000000000000000,  0.568501650000000 ]    mass: 87.620000    reduced_to: 27  - symbol: Sr # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.931498350000000 ]    mass: 87.620000    reduced_to: 28  - symbol: Sr # 33    coordinates: [  0.500000000000000,  0.500000000000000,  0.797679270000000 ]    mass: 87.620000    reduced_to: 29  - symbol: Sr # 34    coordinates: [  0.000000000000000,  0.000000000000000,  0.702320730000000 ]    mass: 87.620000    reduced_to: 30supercell:  lattice:  - [     7.792490420000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.792490420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    28.042878569999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.250000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.250000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.750000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.750000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.250000000000000,  0.250000000000000,  0.290274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.290274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.250000000000000,  0.750000000000000,  0.290274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.290274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.209725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.209725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.209725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.209725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.069568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.069568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.069568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.069568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.430431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.430431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.430431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.430431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.250000000000000,  0.000000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.750000000000000,  0.000000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.250000000000000,  0.500000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.750000000000000,  0.500000000000000,  0.139020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.250000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.250000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.750000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.750000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.250000000000000,  0.000000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.750000000000000,  0.000000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.250000000000000,  0.500000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.750000000000000,  0.500000000000000,  0.360979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.250000000000000,  0.000000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 42    coordinates: [  0.750000000000000,  0.000000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 43    coordinates: [  0.250000000000000,  0.500000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.790274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.790274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 47    coordinates: [  0.000000000000000,  0.500000000000000,  0.790274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.790274010000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 49    coordinates: [  0.250000000000000,  0.250000000000000,  0.709725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 50    coordinates: [  0.750000000000000,  0.250000000000000,  0.709725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 51    coordinates: [  0.250000000000000,  0.750000000000000,  0.709725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 52    coordinates: [  0.750000000000000,  0.750000000000000,  0.709725990000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 54    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 55    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 57    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 58    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 59    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 61    coordinates: [  0.250000000000000,  0.250000000000000,  0.569568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 62    coordinates: [  0.750000000000000,  0.250000000000000,  0.569568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 63    coordinates: [  0.250000000000000,  0.750000000000000,  0.569568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 64    coordinates: [  0.750000000000000,  0.750000000000000,  0.569568720000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.930431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.930431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.930431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.930431280000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 69    coordinates: [  0.000000000000000,  0.250000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 70    coordinates: [  0.500000000000000,  0.250000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 71    coordinates: [  0.000000000000000,  0.750000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 72    coordinates: [  0.500000000000000,  0.750000000000000,  0.639020870000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 73    coordinates: [  0.250000000000000,  0.000000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 74    coordinates: [  0.750000000000000,  0.000000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 75    coordinates: [  0.250000000000000,  0.500000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 76    coordinates: [  0.750000000000000,  0.500000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 78    coordinates: [  0.500000000000000,  0.250000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.750000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 80    coordinates: [  0.500000000000000,  0.750000000000000,  0.860979130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: Ti # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 85    coordinates: [  0.250000000000000,  0.250000000000000,  0.359643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 86    coordinates: [  0.750000000000000,  0.250000000000000,  0.359643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 87    coordinates: [  0.250000000000000,  0.750000000000000,  0.359643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 88    coordinates: [  0.750000000000000,  0.750000000000000,  0.359643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.140356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.140356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.140356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 92    coordinates: [  0.500000000000000,  0.500000000000000,  0.140356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 93    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 94    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 95    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 47.867000    reduced_to: 81  - symbol: Ti # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.859643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.859643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.859643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.859643450000000 ]    mass: 47.867000    reduced_to: 85  - symbol: Ti # 101    coordinates: [  0.250000000000000,  0.250000000000000,  0.640356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 102    coordinates: [  0.750000000000000,  0.250000000000000,  0.640356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 103    coordinates: [  0.250000000000000,  0.750000000000000,  0.640356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Ti # 104    coordinates: [  0.750000000000000,  0.750000000000000,  0.640356550000000 ]    mass: 47.867000    reduced_to: 89  - symbol: Sr # 105    coordinates: [  0.250000000000000,  0.250000000000000,  0.068501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 106    coordinates: [  0.750000000000000,  0.250000000000000,  0.068501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 107    coordinates: [  0.250000000000000,  0.750000000000000,  0.068501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 108    coordinates: [  0.750000000000000,  0.750000000000000,  0.068501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.431498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 110    coordinates: [  0.500000000000000,  0.000000000000000,  0.431498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 111    coordinates: [  0.000000000000000,  0.500000000000000,  0.431498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 112    coordinates: [  0.500000000000000,  0.500000000000000,  0.431498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 113    coordinates: [  0.000000000000000,  0.000000000000000,  0.297679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 114    coordinates: [  0.500000000000000,  0.000000000000000,  0.297679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 115    coordinates: [  0.000000000000000,  0.500000000000000,  0.297679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 116    coordinates: [  0.500000000000000,  0.500000000000000,  0.297679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 117    coordinates: [  0.250000000000000,  0.250000000000000,  0.202320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 118    coordinates: [  0.750000000000000,  0.250000000000000,  0.202320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 119    coordinates: [  0.250000000000000,  0.750000000000000,  0.202320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 120    coordinates: [  0.750000000000000,  0.750000000000000,  0.202320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 121    coordinates: [  0.000000000000000,  0.000000000000000,  0.568501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 122    coordinates: [  0.500000000000000,  0.000000000000000,  0.568501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 123    coordinates: [  0.000000000000000,  0.500000000000000,  0.568501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 124    coordinates: [  0.500000000000000,  0.500000000000000,  0.568501650000000 ]    mass: 87.620000    reduced_to: 105  - symbol: Sr # 125    coordinates: [  0.250000000000000,  0.250000000000000,  0.931498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 126    coordinates: [  0.750000000000000,  0.250000000000000,  0.931498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 127    coordinates: [  0.250000000000000,  0.750000000000000,  0.931498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 128    coordinates: [  0.750000000000000,  0.750000000000000,  0.931498350000000 ]    mass: 87.620000    reduced_to: 109  - symbol: Sr # 129    coordinates: [  0.250000000000000,  0.250000000000000,  0.797679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 130    coordinates: [  0.750000000000000,  0.250000000000000,  0.797679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 131    coordinates: [  0.250000000000000,  0.750000000000000,  0.797679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 132    coordinates: [  0.750000000000000,  0.750000000000000,  0.797679270000000 ]    mass: 87.620000    reduced_to: 113  - symbol: Sr # 133    coordinates: [  0.000000000000000,  0.000000000000000,  0.702320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 134    coordinates: [  0.500000000000000,  0.000000000000000,  0.702320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 135    coordinates: [  0.000000000000000,  0.500000000000000,  0.702320730000000 ]    mass: 87.620000    reduced_to: 117  - symbol: Sr # 136    coordinates: [  0.500000000000000,  0.500000000000000,  0.702320730000000 ]    mass: 87.620000    reduced_to: 117displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0596013000000000,  0.0000000000000000,  0.0019211400000000 ]  - [   0.0050492600000000,  0.0000000000000000,  0.0020620200000000 ]  - [   0.0030100600000000,  0.0000000000000000,  0.0020732300000000 ]  - [   0.0054443600000000,  0.0000000000000000,  0.0020669200000000 ]  - [  -0.0003229600000000,  0.0000000000000000,  0.0025248600000000 ]  - [  -0.0003073900000000,  0.0000000000000000, -0.0037342800000000 ]  - [  -0.0000408900000000,  0.0000000000000000, -0.0003389500000000 ]  - [  -0.0000330300000000,  0.0000000000000000, -0.0009155200000000 ]  - [  -0.0046818900000000,  0.0000321300000000,  0.0005657400000000 ]  - [   0.0024993100000000, -0.0000100800000000,  0.0006264900000000 ]  - [  -0.0046818900000000, -0.0000321300000000,  0.0005657400000000 ]  - [   0.0024993100000000,  0.0000100800000000,  0.0006264900000000 ]  - [  -0.0000278000000000, -0.0003560000000000, -0.0003917100000000 ]  - [  -0.0000091500000000,  0.0003481400000000,  0.0003890600000000 ]  - [  -0.0000278000000000,  0.0003560000000000, -0.0003917100000000 ]  - [  -0.0000091500000000, -0.0003481400000000,  0.0003890600000000 ]  - [  -0.0009411000000000,  0.0000000000000000,  0.0000042100000000 ]  - [   0.0017243000000000,  0.0000000000000000, -0.0000119900000000 ]  - [  -0.0001048400000000,  0.0000000000000000,  0.0000126000000000 ]  - [   0.0002426200000000,  0.0000000000000000, -0.0000016100000000 ]  - [  -0.0041363400000000,  0.0000317600000000,  0.0002400300000000 ]  - [   0.0017636400000000, -0.0000050200000000,  0.0001622300000000 ]  - [  -0.0041363400000000, -0.0000317600000000,  0.0002400300000000 ]  - [   0.0017636400000000,  0.0000050200000000,  0.0001622300000000 ]  - [  -0.0000144300000000,  0.0000000000000000,  0.0001557900000000 ]  - [  -0.0000142000000000,  0.0000000000000000, -0.0004989500000000 ]  - [  -0.0000015400000000,  0.0000000000000000, -0.0000648800000000 ]  - [  -0.0000016100000000,  0.0000000000000000, -0.0002831900000000 ]  - [   0.0133873300000000, -0.0143827400000000,  0.0025643000000000 ]  - [   0.0133338600000000,  0.0141629300000000,  0.0015719500000000 ]  - [   0.0133873300000000,  0.0143827400000000,  0.0025643000000000 ]  - [   0.0133338600000000, -0.0141629300000000,  0.0015719500000000 ]  - [  -0.0006635600000000,  0.0000000000000000, -0.0020667100000000 ]  - [   0.0005738400000000,  0.0000000000000000, -0.0020656000000000 ]  - [  -0.0001542400000000,  0.0000000000000000, -0.0020684200000000 ]  - [   0.0001532600000000,  0.0000000000000000, -0.0020673000000000 ]  - [   0.0000065300000000, -0.0002004700000000, -0.0019328800000000 ]  - [   0.0000083300000000,  0.0001963600000000, -0.0022009400000000 ]  - [   0.0000065300000000,  0.0002004700000000, -0.0019328800000000 ]  - [   0.0000083300000000, -0.0001963600000000, -0.0022009400000000 ]  - [   0.0000001800000000, -0.0000006700000000,  0.0020710000000000 ]  - [   0.0000001600000000,  0.0000009400000000,  0.0020646700000000 ]  - [   0.0000001800000000,  0.0000006700000000,  0.0020710000000000 ]  - [   0.0000001600000000, -0.0000009400000000,  0.0020646700000000 ]  - [  -0.0000034800000000, -0.0000000200000000, -0.0006222800000000 ]  - [   0.0000008200000000,  0.0000000100000000, -0.0006236300000000 ]  - [  -0.0000034800000000,  0.0000000200000000, -0.0006222800000000 ]  - [   0.0000008200000000, -0.0000000100000000, -0.0006236300000000 ]  - [  -0.0000000800000000,  0.0000000000000000,  0.0006293700000000 ]  - [   0.0000001300000000,  0.0000000000000000,  0.0006208900000000 ]  - [   0.0000000600000000,  0.0000000000000000,  0.0006283500000000 ]  - [   0.0000001600000000,  0.0000000000000000,  0.0006216700000000 ]  - [  -0.0000514500000000,  0.0000000000000000,  0.0000008600000000 ]  - [   0.0000484300000000,  0.0000000000000000,  0.0000008600000000 ]  - [  -0.0000319600000000,  0.0000000000000000,  0.0000006900000000 ]  - [   0.0000318200000000,  0.0000000000000000,  0.0000006400000000 ]  - [   0.0000005600000000, -0.0000103900000000,  0.0000209600000000 ]  - [   0.0000002900000000,  0.0000093300000000, -0.0000194200000000 ]  - [   0.0000005600000000,  0.0000103900000000,  0.0000209600000000 ]  - [   0.0000002900000000, -0.0000093300000000, -0.0000194200000000 ]  - [  -0.0000006000000000,  0.0000000000000000,  0.0002195700000000 ]  - [  -0.0000008200000000,  0.0000000000000000,  0.0001340700000000 ]  - [   0.0000000500000000,  0.0000000000000000,  0.0001972200000000 ]  - [  -0.0000001300000000,  0.0000000000000000,  0.0001549000000000 ]  - [  -0.0001036800000000, -0.0000006700000000, -0.0001668400000000 ]  - [   0.0000612900000000, -0.0000008000000000, -0.0001779800000000 ]  - [  -0.0001036800000000,  0.0000006700000000, -0.0001668400000000 ]  - [   0.0000612900000000,  0.0000008000000000, -0.0001779800000000 ]  - [  -0.0000068400000000,  0.0000000000000000,  0.0020680000000000 ]  - [   0.0000068600000000,  0.0000000000000000,  0.0020678500000000 ]  - [  -0.0000051500000000,  0.0000000000000000,  0.0020678400000000 ]  - [   0.0000053300000000,  0.0000000000000000,  0.0020677000000000 ]  - [  -0.0000032100000000,  0.0000051800000000, -0.0020698700000000 ]  - [  -0.0000009400000000, -0.0000053200000000, -0.0020645500000000 ]  - [  -0.0000032100000000, -0.0000051800000000, -0.0020698700000000 ]  - [  -0.0000009400000000,  0.0000053200000000, -0.0020645500000000 ]  - [   0.0000059200000000,  0.0000000000000000, -0.0020664600000000 ]  - [  -0.0000025800000000,  0.0000000000000000, -0.0020678300000000 ]  - [  -0.0000080200000000,  0.0000000000000000, -0.0020662400000000 ]  - [   0.0000104900000000,  0.0000000000000000, -0.0020676100000000 ]  - [   0.0007915400000000,  0.0000075200000000, -0.0000339300000000 ]  - [  -0.0007436800000000,  0.0000080400000000,  0.0000131100000000 ]  - [   0.0007915400000000, -0.0000075200000000, -0.0000339300000000 ]  - [  -0.0007436800000000, -0.0000080400000000,  0.0000131100000000 ]  - [   0.0000122400000000,  0.0000000000000000,  0.0033909600000000 ]  - [   0.0000096100000000,  0.0000000000000000,  0.0062433900000000 ]  - [   0.0000068100000000,  0.0000000000000000,  0.0046794300000000 ]  - [   0.0000019900000000,  0.0000000000000000,  0.0049752400000000 ]  - [   0.0152839600000000,  0.0001625200000000, -0.0048348100000000 ]  - [  -0.0166739900000000,  0.0000153400000000, -0.0048172900000000 ]  - [   0.0152839600000000, -0.0001625200000000, -0.0048348100000000 ]  - [  -0.0166739900000000, -0.0000153400000000, -0.0048172900000000 ]  - [   0.0000015200000000,  0.0000000000000000, -0.0001213600000000 ]  - [   0.0000019600000000,  0.0000000000000000,  0.0001157000000000 ]  - [   0.0000000100000000,  0.0000000000000000, -0.0000679100000000 ]  - [   0.0000008800000000,  0.0000000000000000,  0.0000642600000000 ]  - [   0.0000072400000000,  0.0000004400000000,  0.0048212600000000 ]  - [  -0.0000031300000000,  0.0000003900000000,  0.0048266200000000 ]  - [   0.0000072400000000, -0.0000004400000000,  0.0048212600000000 ]  - [  -0.0000031300000000, -0.0000003900000000,  0.0048266200000000 ]  - [   0.0000000700000000,  0.0000000000000000, -0.0048423200000000 ]  - [   0.0000005900000000,  0.0000000000000000, -0.0048111600000000 ]  - [   0.0000008600000000,  0.0000000000000000, -0.0048377800000000 ]  - [  -0.0000002300000000,  0.0000000000000000, -0.0048152500000000 ]  - [  -0.0010816300000000,  0.0000000000000000,  0.0050019800000000 ]  - [  -0.0012297900000000,  0.0000000000000000, -0.0039904700000000 ]  - [   0.0002000300000000,  0.0000000000000000,  0.0019868900000000 ]  - [   0.0001582800000000,  0.0000000000000000, -0.0008610000000000 ]  - [   0.0000756200000000,  0.0000014600000000, -0.0005615400000000 ]  - [  -0.0000761600000000, -0.0000000400000000, -0.0005614600000000 ]  - [   0.0000756200000000, -0.0000014600000000, -0.0005615400000000 ]  - [  -0.0000761600000000,  0.0000000400000000, -0.0005614600000000 ]  - [   0.0005243200000000,  0.0000048200000000, -0.0007436800000000 ]  - [  -0.0005130800000000,  0.0000033600000000, -0.0007591600000000 ]  - [   0.0005243200000000, -0.0000048200000000, -0.0007436800000000 ]  - [  -0.0005130800000000, -0.0000033600000000, -0.0007591600000000 ]  - [   0.0030922900000000,  0.0000000000000000, -0.0008885700000000 ]  - [   0.0027713000000000,  0.0000000000000000,  0.0026542200000000 ]  - [   0.0002949900000000,  0.0000000000000000, -0.0008777800000000 ]  - [   0.0002418000000000,  0.0000000000000000,  0.0023809400000000 ]  - [   0.0000126000000000, -0.0000004400000000,  0.0005615500000000 ]  - [  -0.0000123500000000, -0.0000008800000000,  0.0005601300000000 ]  - [   0.0000126000000000,  0.0000004400000000,  0.0005615500000000 ]  - [  -0.0000123500000000,  0.0000008800000000,  0.0005601300000000 ]  - [  -0.0000016800000000,  0.0000000000000000, -0.0004444100000000 ]  - [  -0.0000098600000000,  0.0000000000000000, -0.0006773400000000 ]  - [  -0.0000009800000000,  0.0000000000000000, -0.0004743200000000 ]  - [  -0.0000079400000000,  0.0000000000000000, -0.0006479600000000 ]  - [   0.0000006800000000,  0.0000000000000000, -0.0007549900000000 ]  - [  -0.0000002000000000,  0.0000000000000000, -0.0007567000000000 ]  - [   0.0000003600000000,  0.0000000000000000, -0.0007540100000000 ]  - [  -0.0000000500000000,  0.0000000000000000, -0.0007571800000000 ]  - [   0.0000024700000000,  0.0000005800000000,  0.0007542800000000 ]  - [  -0.0000022200000000,  0.0000000400000000,  0.0007544600000000 ]  - [   0.0000024700000000, -0.0000005800000000,  0.0007542800000000 ]  - [  -0.0000022200000000, -0.0000000400000000,  0.0007544600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.2041159600000000,  0.0019319000000000 ]  - [   0.0000000000000000, -0.0107968800000000,  0.0020700400000000 ]  - [   0.0000000000000000,  0.0726575400000000,  0.0020603400000000 ]  - [   0.0000000000000000,  0.0129117600000000,  0.0020651600000000 ]  - [   0.0000087400000000, -0.0011414100000000, -0.0006556800000000 ]  - [  -0.0000087400000000, -0.0011414100000000, -0.0006556800000000 ]  - [   0.0000052300000000,  0.0012104700000000, -0.0006118600000000 ]  - [  -0.0000052300000000,  0.0012104700000000, -0.0006118600000000 ]  - [   0.0000000000000000,  0.0141553000000000, -0.0206523800000000 ]  - [   0.0000000000000000, -0.0000752000000000, -0.0020546200000000 ]  - [   0.0000000000000000,  0.0140689900000000,  0.0222543900000000 ]  - [   0.0000000000000000, -0.0001286200000000,  0.0033340300000000 ]  - [  -0.0012012400000000, -0.0000122700000000,  0.0012638000000000 ]  - [   0.0012012400000000, -0.0000122700000000,  0.0012638000000000 ]  - [   0.0012136400000000, -0.0000297000000000, -0.0012597600000000 ]  - [  -0.0012136400000000, -0.0000297000000000, -0.0012597600000000 ]  - [   0.0000000000000000, -0.0054972700000000,  0.0000032400000000 ]  - [   0.0000000000000000, -0.0015722700000000,  0.0000212700000000 ]  - [   0.0000000000000000,  0.0067674700000000, -0.0000080100000000 ]  - [   0.0000000000000000,  0.0015570000000000, -0.0000018000000000 ]  - [   0.0000000000000000,  0.0131596500000000,  0.0260151900000000 ]  - [   0.0000000000000000, -0.0000056200000000,  0.0034452100000000 ]  - [   0.0000000000000000,  0.0130947000000000, -0.0259709800000000 ]  - [   0.0000000000000000, -0.0000364100000000, -0.0031277400000000 ]  - [   0.0000004400000000, -0.0000399200000000, -0.0001769600000000 ]  - [  -0.0000004400000000, -0.0000399200000000, -0.0001769600000000 ]  - [   0.0000005300000000,  0.0000447300000000, -0.0001707900000000 ]  - [  -0.0000005300000000,  0.0000447300000000, -0.0001707900000000 ]  - [  -0.0246898000000000,  0.0133919800000000,  0.0019952300000000 ]  - [   0.0246898000000000,  0.0133919800000000,  0.0019952300000000 ]  - [   0.0250098300000000,  0.0133271400000000,  0.0021236800000000 ]  - [  -0.0250098300000000,  0.0133271400000000,  0.0021236800000000 ]  - [   0.0000000000000000, -0.0006641700000000, -0.0020678200000000 ]  - [   0.0000000000000000, -0.0001539600000000, -0.0020689000000000 ]  - [   0.0000000000000000,  0.0005742900000000, -0.0020636700000000 ]  - [   0.0000000000000000,  0.0001527600000000, -0.0020654900000000 ]  - [  -0.0001973400000000,  0.0000086200000000, -0.0022640500000000 ]  - [   0.0001973400000000,  0.0000086200000000, -0.0022640500000000 ]  - [   0.0002002400000000, -0.0000013500000000, -0.0018688100000000 ]  - [  -0.0002002400000000, -0.0000013500000000, -0.0018688100000000 ]  - [  -0.0000009100000000,  0.0000001900000000,  0.0020710500000000 ]  - [   0.0000009100000000,  0.0000001900000000,  0.0020710500000000 ]  - [   0.0000009900000000,  0.0000002700000000,  0.0020644400000000 ]  - [  -0.0000009900000000,  0.0000002700000000,  0.0020644400000000 ]  - [   0.0000000000000000,  0.0000142500000000, -0.0003921200000000 ]  - [   0.0000000000000000,  0.0000006300000000, -0.0004776100000000 ]  - [   0.0000000000000000,  0.0000141900000000, -0.0008556500000000 ]  - [   0.0000000000000000,  0.0000004600000000, -0.0007676300000000 ]  - [   0.0000000500000000, -0.0000179000000000,  0.0006250100000000 ]  - [  -0.0000000500000000, -0.0000179000000000,  0.0006250100000000 ]  - [   0.0000001000000000,  0.0000189500000000,  0.0006248900000000 ]  - [  -0.0000001000000000,  0.0000189500000000,  0.0006248900000000 ]  - [   0.0000000000000000, -0.0000002800000000,  0.0000004000000000 ]  - [   0.0000000000000000, -0.0000053200000000,  0.0000003200000000 ]  - [   0.0000000000000000, -0.0000000100000000,  0.0000010800000000 ]  - [   0.0000000000000000,  0.0000049600000000,  0.0000010600000000 ]  - [   0.0000022500000000,  0.0000009000000000, -0.0000016700000000 ]  - [  -0.0000022500000000,  0.0000009000000000, -0.0000016700000000 ]  - [  -0.0000019100000000, -0.0000000700000000,  0.0000031300000000 ]  - [   0.0000019100000000, -0.0000000700000000,  0.0000031300000000 ]  - [   0.0000000600000000, -0.0000007300000000,  0.0001754000000000 ]  - [  -0.0000000600000000, -0.0000007300000000,  0.0001754000000000 ]  - [   0.0000001500000000,  0.0000020300000000,  0.0001761000000000 ]  - [  -0.0000001500000000,  0.0000020300000000,  0.0001761000000000 ]  - [   0.0000000000000000,  0.0002322000000000,  0.0017536900000000 ]  - [   0.0000000000000000,  0.0000046500000000,  0.0007917600000000 ]  - [   0.0000000000000000,  0.0002314000000000, -0.0021156900000000 ]  - [   0.0000000000000000,  0.0000012100000000, -0.0011339900000000 ]  - [   0.0000000000000000, -0.0000073900000000,  0.0020678000000000 ]  - [   0.0000000000000000, -0.0000052600000000,  0.0020677300000000 ]  - [   0.0000000000000000,  0.0000071400000000,  0.0020677500000000 ]  - [   0.0000000000000000,  0.0000052100000000,  0.0020677100000000 ]  - [  -0.0000354700000000, -0.0000020300000000, -0.0019007300000000 ]  - [   0.0000354700000000, -0.0000020300000000, -0.0019007300000000 ]  - [   0.0000374400000000, -0.0000022800000000, -0.0022328900000000 ]  - [  -0.0000374400000000, -0.0000022800000000, -0.0022328900000000 ]  - [   0.0000000000000000, -0.0002653500000000, -0.0020674600000000 ]  - [   0.0000000000000000, -0.0002509600000000, -0.0020661900000000 ]  - [   0.0000000000000000,  0.0003161800000000, -0.0020677600000000 ]  - [   0.0000000000000000,  0.0002529400000000, -0.0020662600000000 ]  - [   0.0000000000000000, -0.0003477600000000, -0.0135892200000000 ]  - [   0.0000000000000000, -0.0000191700000000, -0.0024531700000000 ]  - [   0.0000000000000000, -0.0003238100000000,  0.0136459800000000 ]  - [   0.0000000000000000,  0.0000184200000000,  0.0024558100000000 ]  - [  -0.0000019400000000,  0.0004192300000000,  0.0048375000000000 ]  - [   0.0000019400000000,  0.0004192300000000,  0.0048375000000000 ]  - [  -0.0000004700000000, -0.0004168800000000,  0.0048160400000000 ]  - [   0.0000004700000000, -0.0004168800000000,  0.0048160400000000 ]  - [   0.0000000000000000,  0.0016734000000000, -0.0094336900000000 ]  - [   0.0000000000000000, -0.0006075700000000, -0.0049754600000000 ]  - [   0.0000000000000000,  0.0070371200000000, -0.0001250600000000 ]  - [   0.0000000000000000, -0.0005549500000000, -0.0046754200000000 ]  - [   0.0000001700000000,  0.0000038400000000,  0.0000006200000000 ]  - [  -0.0000001700000000,  0.0000038400000000,  0.0000006200000000 ]  - [   0.0000005100000000, -0.0000047700000000, -0.0000015800000000 ]  - [  -0.0000005100000000, -0.0000047700000000, -0.0000015800000000 ]  - [   0.0000000000000000, -0.0000196600000000,  0.0041177200000000 ]  - [   0.0000000000000000, -0.0000003200000000,  0.0042585700000000 ]  - [   0.0000000000000000, -0.0000189700000000,  0.0055359300000000 ]  - [   0.0000000000000000, -0.0000017200000000,  0.0053868600000000 ]  - [  -0.0000007300000000,  0.0000069300000000, -0.0048272000000000 ]  - [   0.0000007300000000,  0.0000069300000000, -0.0048272000000000 ]  - [   0.0000004900000000, -0.0000074200000000, -0.0048279000000000 ]  - [  -0.0000004900000000, -0.0000074200000000, -0.0048279000000000 ]  - [   0.0000987600000000,  0.0083439800000000,  0.0004635800000000 ]  - [  -0.0000987600000000,  0.0083439800000000,  0.0004635800000000 ]  - [  -0.0000140500000000, -0.0056802900000000,  0.0005823000000000 ]  - [   0.0000140500000000, -0.0056802900000000,  0.0005823000000000 ]  - [   0.0000000000000000,  0.0000011900000000, -0.0004885100000000 ]  - [   0.0000000000000000, -0.0000018700000000, -0.0005100300000000 ]  - [   0.0000000000000000,  0.0000017200000000, -0.0006364900000000 ]  - [   0.0000000000000000,  0.0000012300000000, -0.0006130000000000 ]  - [   0.0000000000000000,  0.0000802000000000,  0.0032386800000000 ]  - [   0.0000000000000000, -0.0000130800000000,  0.0001537400000000 ]  - [   0.0000000000000000,  0.0000953300000000, -0.0047744100000000 ]  - [   0.0000000000000000,  0.0000035900000000, -0.0016559900000000 ]  - [   0.0000825700000000,  0.0108024500000000,  0.0008514300000000 ]  - [  -0.0000825700000000,  0.0108024500000000,  0.0008514300000000 ]  - [  -0.0000256700000000, -0.0070386800000000,  0.0007395000000000 ]  - [   0.0000256700000000, -0.0070386800000000,  0.0007395000000000 ]  - [   0.0000000000000000, -0.0000004600000000,  0.0005613000000000 ]  - [   0.0000000000000000, -0.0000008400000000,  0.0005603700000000 ]  - [   0.0000000000000000,  0.0000006600000000,  0.0005619900000000 ]  - [   0.0000000000000000,  0.0000009600000000,  0.0005604200000000 ]  - [  -0.0000013600000000,  0.0006300000000000, -0.0005669300000000 ]  - [   0.0000013600000000,  0.0006300000000000, -0.0005669300000000 ]  - [  -0.0000011800000000, -0.0006202100000000, -0.0005614800000000 ]  - [   0.0000011800000000, -0.0006202100000000, -0.0005614800000000 ]  - [  -0.0000003100000000,  0.0001042400000000, -0.0007557100000000 ]  - [   0.0000003100000000,  0.0001042400000000, -0.0007557100000000 ]  - [  -0.0000006500000000, -0.0001042200000000, -0.0007554500000000 ]  - [   0.0000006500000000, -0.0001042200000000, -0.0007554500000000 ]  - [   0.0000000000000000,  0.0000008200000000,  0.0007234700000000 ]  - [   0.0000000000000000, -0.0000000400000000,  0.0007268200000000 ]  - [   0.0000000000000000, -0.0000001500000000,  0.0007849200000000 ]  - [   0.0000000000000000,  0.0000000900000000,  0.0007810300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0615461700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015425600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016636900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000525500000000 ]  - [   0.0002288700000000,  0.0000000000000000,  0.0019492600000000 ]  - [  -0.0002288700000000,  0.0000000000000000,  0.0019492600000000 ]  - [   0.0006251200000000,  0.0000000000000000,  0.0001376700000000 ]  - [  -0.0006251200000000,  0.0000000000000000,  0.0001376700000000 ]  - [   0.0000000000000000, -0.0151828000000000,  0.0060717000000000 ]  - [   0.0000000000000000, -0.0014048900000000, -0.0028221100000000 ]  - [   0.0000000000000000,  0.0151828000000000,  0.0060717000000000 ]  - [   0.0000000000000000,  0.0014048900000000, -0.0028221100000000 ]  - [  -0.0013082100000000,  0.0004044200000000,  0.0002741800000000 ]  - [   0.0013082100000000,  0.0004044200000000,  0.0002741800000000 ]  - [  -0.0013082100000000, -0.0004044200000000,  0.0002741800000000 ]  - [   0.0013082100000000, -0.0004044200000000,  0.0002741800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016061100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010537200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022540000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003789800000000 ]  - [   0.0000000000000000,  0.0144054100000000,  0.0077160700000000 ]  - [   0.0000000000000000,  0.0007195700000000, -0.0042066400000000 ]  - [   0.0000000000000000, -0.0144054100000000,  0.0077160700000000 ]  - [   0.0000000000000000, -0.0007195700000000, -0.0042066400000000 ]  - [   0.0000133400000000,  0.0000000000000000,  0.0016431300000000 ]  - [  -0.0000133400000000,  0.0000000000000000,  0.0016431300000000 ]  - [   0.0000169600000000,  0.0000000000000000,  0.0014095900000000 ]  - [  -0.0000169600000000,  0.0000000000000000,  0.0014095900000000 ]  - [  -0.0001184400000000,  0.0005260100000000, -0.0036037700000000 ]  - [   0.0001184400000000,  0.0005260100000000, -0.0036037700000000 ]  - [  -0.0001184400000000, -0.0005260100000000, -0.0036037700000000 ]  - [   0.0001184400000000, -0.0005260100000000, -0.0036037700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012853000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014794200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014798700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016106100000000 ]  - [   0.0001344200000000, -0.0001965400000000, -0.0015009100000000 ]  - [  -0.0001344200000000, -0.0001965400000000, -0.0015009100000000 ]  - [   0.0001344200000000,  0.0001965400000000, -0.0015009100000000 ]  - [  -0.0001344200000000,  0.0001965400000000, -0.0015009100000000 ]  - [  -0.0000031400000000, -0.0000044900000000,  0.0026540500000000 ]  - [   0.0000031400000000, -0.0000044900000000,  0.0026540500000000 ]  - [  -0.0000031400000000,  0.0000044900000000,  0.0026540500000000 ]  - [   0.0000031400000000,  0.0000044900000000,  0.0026540500000000 ]  - [   0.0000000000000000,  0.0000031400000000,  0.0009270900000000 ]  - [   0.0000000000000000,  0.0000009100000000,  0.0007325500000000 ]  - [   0.0000000000000000, -0.0000031400000000,  0.0009270900000000 ]  - [   0.0000000000000000, -0.0000009100000000,  0.0007325500000000 ]  - [  -0.0000101200000000,  0.0000000000000000,  0.0020948900000000 ]  - [   0.0000101200000000,  0.0000000000000000,  0.0020948900000000 ]  - [  -0.0000099700000000,  0.0000000000000000,  0.0020871000000000 ]  - [   0.0000099700000000,  0.0000000000000000,  0.0020871000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005993800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005967500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005767200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005735300000000 ]  - [   0.0000014300000000, -0.0000210600000000,  0.0005852500000000 ]  - [  -0.0000014300000000, -0.0000210600000000,  0.0005852500000000 ]  - [   0.0000014300000000,  0.0000210600000000,  0.0005852500000000 ]  - [  -0.0000014300000000,  0.0000210600000000,  0.0005852500000000 ]  - [  -0.0000006000000000,  0.0000000000000000,  0.0018823800000000 ]  - [   0.0000006000000000,  0.0000000000000000,  0.0018823800000000 ]  - [  -0.0000000100000000,  0.0000000000000000,  0.0018513800000000 ]  - [   0.0000000100000000,  0.0000000000000000,  0.0018513800000000 ]  - [   0.0000000000000000,  0.0000877300000000,  0.0021653000000000 ]  - [   0.0000000000000000,  0.0001040900000000,  0.0006752300000000 ]  - [   0.0000000000000000, -0.0000877300000000,  0.0021653000000000 ]  - [   0.0000000000000000, -0.0001040900000000,  0.0006752300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026584800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026541000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026541400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026504200000000 ]  - [  -0.0001639900000000,  0.0000027700000000, -0.0014924900000000 ]  - [   0.0001639900000000,  0.0000027700000000, -0.0014924900000000 ]  - [  -0.0001639900000000, -0.0000027700000000, -0.0014924900000000 ]  - [   0.0001639900000000, -0.0000027700000000, -0.0014924900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013326200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015548200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013430900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015546900000000 ]  - [   0.0000000000000000, -0.0001235700000000, -0.0061630400000000 ]  - [   0.0000000000000000, -0.0010604800000000,  0.0015050400000000 ]  - [   0.0000000000000000,  0.0001235700000000, -0.0061630400000000 ]  - [   0.0000000000000000,  0.0010604800000000,  0.0015050400000000 ]  - [  -0.0001849900000000,  0.0000000000000000,  0.0022816700000000 ]  - [   0.0001849900000000,  0.0000000000000000,  0.0022816700000000 ]  - [  -0.0001367100000000,  0.0000000000000000,  0.0030973700000000 ]  - [   0.0001367100000000,  0.0000000000000000,  0.0030973700000000 ]  - [   0.0000000000000000, -0.0019072700000000,  0.0191203800000000 ]  - [   0.0000000000000000,  0.0002332900000000,  0.0024829500000000 ]  - [   0.0000000000000000,  0.0019072700000000,  0.0191203800000000 ]  - [   0.0000000000000000, -0.0002332900000000,  0.0024829500000000 ]  - [  -0.0000030800000000,  0.0000000000000000, -0.0021857000000000 ]  - [   0.0000030800000000,  0.0000000000000000, -0.0021857000000000 ]  - [  -0.0000040600000000,  0.0000000000000000, -0.0020824300000000 ]  - [   0.0000040600000000,  0.0000000000000000, -0.0020824300000000 ]  - [   0.0000000000000000, -0.0000045000000000,  0.0023511000000000 ]  - [   0.0000000000000000, -0.0000040000000000,  0.0031525200000000 ]  - [   0.0000000000000000,  0.0000045000000000,  0.0023511000000000 ]  - [   0.0000000000000000,  0.0000040000000000,  0.0031525200000000 ]  - [   0.0000046800000000,  0.0000000000000000, -0.0069020100000000 ]  - [  -0.0000046800000000,  0.0000000000000000, -0.0069020100000000 ]  - [   0.0000027400000000,  0.0000000000000000, -0.0068868800000000 ]  - [  -0.0000027400000000,  0.0000000000000000, -0.0068868800000000 ]  - [   0.0047320000000000,  0.0000000000000000,  0.0016813200000000 ]  - [  -0.0047320000000000,  0.0000000000000000,  0.0016813200000000 ]  - [   0.0017406600000000,  0.0000000000000000,  0.0031064900000000 ]  - [  -0.0017406600000000,  0.0000000000000000,  0.0031064900000000 ]  - [   0.0000000000000000,  0.0000493400000000, -0.0013295700000000 ]  - [   0.0000000000000000,  0.0000417100000000, -0.0012807800000000 ]  - [   0.0000000000000000, -0.0000493400000000, -0.0013295700000000 ]  - [   0.0000000000000000, -0.0000417100000000, -0.0012807800000000 ]  - [   0.0000000000000000,  0.0001513900000000, -0.0029333000000000 ]  - [   0.0000000000000000,  0.0003258900000000, -0.0008163000000000 ]  - [   0.0000000000000000, -0.0001513900000000, -0.0029333000000000 ]  - [   0.0000000000000000, -0.0003258900000000, -0.0008163000000000 ]  - [  -0.0007820200000000,  0.0000000000000000,  0.0057540100000000 ]  - [   0.0007820200000000,  0.0000000000000000,  0.0057540100000000 ]  - [  -0.0021332800000000,  0.0000000000000000,  0.0029935700000000 ]  - [   0.0021332800000000,  0.0000000000000000,  0.0029935700000000 ]  - [   0.0000000000000000,  0.0000063400000000, -0.0001924000000000 ]  - [   0.0000000000000000,  0.0000054700000000, -0.0001921400000000 ]  - [   0.0000000000000000, -0.0000063400000000, -0.0001924000000000 ]  - [   0.0000000000000000, -0.0000054700000000, -0.0001921400000000 ]  - [   0.0003235300000000,  0.0000000000000000, -0.0014626300000000 ]  - [  -0.0003235300000000,  0.0000000000000000, -0.0014626300000000 ]  - [   0.0004492600000000,  0.0000000000000000, -0.0013017000000000 ]  - [  -0.0004492600000000,  0.0000000000000000, -0.0013017000000000 ]  - [   0.0000612300000000,  0.0000000000000000, -0.0017897500000000 ]  - [  -0.0000612300000000,  0.0000000000000000, -0.0017897500000000 ]  - [   0.0000599700000000,  0.0000000000000000, -0.0017861500000000 ]  - [  -0.0000599700000000,  0.0000000000000000, -0.0017861500000000 ]  - [   0.0000000000000000,  0.0000020400000000, -0.0002963700000000 ]  - [   0.0000000000000000,  0.0000009500000000, -0.0002626900000000 ]  - [   0.0000000000000000, -0.0000020400000000, -0.0002963700000000 ]  - [   0.0000000000000000, -0.0000009500000000, -0.0002626900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0656142500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056752700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024789100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041836700000000 ]  - [  -0.0002318700000000,  0.0000000000000000, -0.0031844400000000 ]  - [   0.0002318700000000,  0.0000000000000000, -0.0031844400000000 ]  - [  -0.0006206900000000,  0.0000000000000000, -0.0013922200000000 ]  - [   0.0006206900000000,  0.0000000000000000, -0.0013922200000000 ]  - [   0.0000000000000000,  0.0149570300000000, -0.0047725500000000 ]  - [   0.0000000000000000,  0.0013834700000000,  0.0040388600000000 ]  - [   0.0000000000000000, -0.0149570300000000, -0.0047725500000000 ]  - [   0.0000000000000000, -0.0013834700000000,  0.0040388600000000 ]  - [   0.0013133200000000, -0.0004094500000000, -0.0002701700000000 ]  - [  -0.0013133200000000, -0.0004094500000000, -0.0002701700000000 ]  - [   0.0013133200000000,  0.0004094500000000, -0.0002701700000000 ]  - [  -0.0013133200000000,  0.0004094500000000, -0.0002701700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016100000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010700200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022678000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003871600000000 ]  - [   0.0000000000000000, -0.0146148500000000, -0.0074207700000000 ]  - [   0.0000000000000000, -0.0007321100000000,  0.0045924300000000 ]  - [   0.0000000000000000,  0.0146148500000000, -0.0074207700000000 ]  - [   0.0000000000000000,  0.0007321100000000,  0.0045924300000000 ]  - [  -0.0000132800000000,  0.0000000000000000, -0.0019911400000000 ]  - [   0.0000132800000000,  0.0000000000000000, -0.0019911400000000 ]  - [  -0.0000170000000000,  0.0000000000000000, -0.0017594700000000 ]  - [   0.0000170000000000,  0.0000000000000000, -0.0017594700000000 ]  - [   0.0000094300000000, -0.0004661400000000,  0.0077365000000000 ]  - [  -0.0000094300000000, -0.0004661400000000,  0.0077365000000000 ]  - [   0.0000094300000000,  0.0004661400000000,  0.0077365000000000 ]  - [  -0.0000094300000000,  0.0004661400000000,  0.0077365000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028485800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026543500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026547200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025242100000000 ]  - [  -0.0001339100000000,  0.0001969600000000, -0.0026335800000000 ]  - [   0.0001339100000000,  0.0001969600000000, -0.0026335800000000 ]  - [  -0.0001339100000000, -0.0001969600000000, -0.0026335800000000 ]  - [   0.0001339100000000, -0.0001969600000000, -0.0026335800000000 ]  - [   0.0000032000000000,  0.0000027200000000,  0.0014796600000000 ]  - [  -0.0000032000000000,  0.0000027200000000,  0.0014796600000000 ]  - [   0.0000032000000000, -0.0000027200000000,  0.0014796600000000 ]  - [  -0.0000032000000000, -0.0000027200000000,  0.0014796600000000 ]  - [   0.0000000000000000, -0.0000032600000000, -0.0021803700000000 ]  - [   0.0000000000000000, -0.0000009200000000, -0.0019815500000000 ]  - [   0.0000000000000000,  0.0000032600000000, -0.0021803700000000 ]  - [   0.0000000000000000,  0.0000009200000000, -0.0019815500000000 ]  - [   0.0000101300000000,  0.0000000000000000, -0.0008467000000000 ]  - [  -0.0000101300000000,  0.0000000000000000, -0.0008467000000000 ]  - [   0.0000101200000000,  0.0000000000000000, -0.0008426500000000 ]  - [  -0.0000101200000000,  0.0000000000000000, -0.0008426500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005999800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005969300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005769400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005740500000000 ]  - [  -0.0000016300000000,  0.0000226400000000, -0.0005854900000000 ]  - [   0.0000016300000000,  0.0000226400000000, -0.0005854900000000 ]  - [  -0.0000016300000000, -0.0000226400000000, -0.0005854900000000 ]  - [   0.0000016300000000, -0.0000226400000000, -0.0005854900000000 ]  - [   0.0000005100000000,  0.0000000000000000, -0.0015367100000000 ]  - [  -0.0000005100000000,  0.0000000000000000, -0.0015367100000000 ]  - [  -0.0000000600000000,  0.0000000000000000, -0.0015021800000000 ]  - [   0.0000000600000000,  0.0000000000000000, -0.0015021800000000 ]  - [   0.0000000000000000, -0.0000906800000000, -0.0025180400000000 ]  - [   0.0000000000000000, -0.0001055900000000, -0.0010199000000000 ]  - [   0.0000000000000000,  0.0000906800000000, -0.0025180400000000 ]  - [   0.0000000000000000,  0.0001055900000000, -0.0010199000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014753000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014794900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014794400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014830500000000 ]  - [   0.0001672300000000, -0.0000027700000000, -0.0026421300000000 ]  - [  -0.0001672300000000, -0.0000027700000000, -0.0026421300000000 ]  - [   0.0001672300000000,  0.0000027700000000, -0.0026421300000000 ]  - [  -0.0001672300000000,  0.0000027700000000, -0.0026421300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028036700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025794000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027932900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025796500000000 ]  - [   0.0000000000000000,  0.0001385500000000,  0.0061825000000000 ]  - [   0.0000000000000000,  0.0010772100000000, -0.0015263100000000 ]  - [   0.0000000000000000, -0.0001385500000000,  0.0061825000000000 ]  - [   0.0000000000000000, -0.0010772100000000, -0.0015263100000000 ]  - [   0.0001850900000000,  0.0000000000000000,  0.0073658100000000 ]  - [  -0.0001850900000000,  0.0000000000000000,  0.0073658100000000 ]  - [   0.0001344900000000,  0.0000000000000000,  0.0065569300000000 ]  - [  -0.0001344900000000,  0.0000000000000000,  0.0065569300000000 ]  - [   0.0000000000000000,  0.0022145300000000, -0.0288125000000000 ]  - [   0.0000000000000000, -0.0002072800000000, -0.0121353400000000 ]  - [   0.0000000000000000, -0.0022145300000000, -0.0288125000000000 ]  - [   0.0000000000000000,  0.0002072800000000, -0.0121353400000000 ]  - [   0.0000021900000000,  0.0000000000000000,  0.0021868900000000 ]  - [  -0.0000021900000000,  0.0000000000000000,  0.0021868900000000 ]  - [   0.0000036300000000,  0.0000000000000000,  0.0020846000000000 ]  - [  -0.0000036300000000,  0.0000000000000000,  0.0020846000000000 ]  - [   0.0000000000000000,  0.0000044200000000,  0.0073043100000000 ]  - [   0.0000000000000000,  0.0000035100000000,  0.0064961900000000 ]  - [   0.0000000000000000, -0.0000044200000000,  0.0073043100000000 ]  - [   0.0000000000000000, -0.0000035100000000,  0.0064961900000000 ]  - [  -0.0000043900000000,  0.0000000000000000, -0.0027481300000000 ]  - [   0.0000043900000000,  0.0000000000000000, -0.0027481300000000 ]  - [  -0.0000031000000000,  0.0000000000000000, -0.0027634500000000 ]  - [   0.0000031000000000,  0.0000000000000000, -0.0027634500000000 ]  - [  -0.0046119200000000,  0.0000000000000000, -0.0007107600000000 ]  - [   0.0046119200000000,  0.0000000000000000, -0.0007107600000000 ]  - [  -0.0017399700000000,  0.0000000000000000, -0.0020248800000000 ]  - [   0.0017399700000000,  0.0000000000000000, -0.0020248800000000 ]  - [   0.0000000000000000, -0.0000474600000000,  0.0002077000000000 ]  - [   0.0000000000000000, -0.0000418400000000,  0.0001597200000000 ]  - [   0.0000000000000000,  0.0000474600000000,  0.0002077000000000 ]  - [   0.0000000000000000,  0.0000418400000000,  0.0001597200000000 ]  - [   0.0000000000000000, -0.0001495400000000,  0.0014248500000000 ]  - [   0.0000000000000000, -0.0003224000000000, -0.0006847700000000 ]  - [   0.0000000000000000,  0.0001495400000000,  0.0014248500000000 ]  - [   0.0000000000000000,  0.0003224000000000, -0.0006847700000000 ]  - [   0.0010331800000000,  0.0000000000000000, -0.0040174500000000 ]  - [  -0.0010331800000000,  0.0000000000000000, -0.0040174500000000 ]  - [   0.0021324300000000,  0.0000000000000000, -0.0014465200000000 ]  - [  -0.0021324300000000,  0.0000000000000000, -0.0014465200000000 ]  - [   0.0000000000000000, -0.0000068400000000,  0.0013154000000000 ]  - [   0.0000000000000000, -0.0000067300000000,  0.0013129300000000 ]  - [   0.0000000000000000,  0.0000068400000000,  0.0013154000000000 ]  - [   0.0000000000000000,  0.0000067300000000,  0.0013129300000000 ]  - [  -0.0003221200000000,  0.0000000000000000,  0.0003403400000000 ]  - [   0.0003221200000000,  0.0000000000000000,  0.0003403400000000 ]  - [  -0.0004516000000000,  0.0000000000000000,  0.0001806900000000 ]  - [   0.0004516000000000,  0.0000000000000000,  0.0001806900000000 ]  - [  -0.0000614600000000,  0.0000000000000000,  0.0002832400000000 ]  - [   0.0000614600000000,  0.0000000000000000,  0.0002832400000000 ]  - [  -0.0000612000000000,  0.0000000000000000,  0.0002796400000000 ]  - [   0.0000612000000000,  0.0000000000000000,  0.0002796400000000 ]  - [   0.0000000000000000, -0.0000010500000000,  0.0018043700000000 ]  - [   0.0000000000000000, -0.0000010600000000,  0.0017703000000000 ]  - [   0.0000000000000000,  0.0000010500000000,  0.0018043700000000 ]  - [   0.0000000000000000,  0.0000010600000000,  0.0017703000000000 ]- atom:    5  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003100400000000,  0.0000000000000000,  0.0022970000000000 ]  - [  -0.0003201900000000,  0.0000000000000000,  0.0018364100000000 ]  - [  -0.0000355700000000,  0.0000000000000000,  0.0026871700000000 ]  - [  -0.0000383700000000,  0.0000000000000000,  0.0014419400000000 ]  - [  -0.0413341600000000,  0.0000000000000000, -0.0006150200000000 ]  - [   0.0073810100000000,  0.0000000000000000, -0.0006080300000000 ]  - [  -0.0028249300000000,  0.0000000000000000, -0.0006062500000000 ]  - [   0.0046964200000000,  0.0000000000000000, -0.0006147300000000 ]  - [   0.0008835000000000,  0.0017356000000000,  0.0046847700000000 ]  - [   0.0008710800000000, -0.0017454500000000, -0.0034626600000000 ]  - [   0.0008835000000000, -0.0017356000000000,  0.0046847700000000 ]  - [   0.0008710800000000,  0.0017454500000000, -0.0034626600000000 ]  - [  -0.0001199900000000, -0.0000001800000000, -0.0000009400000000 ]  - [   0.0001253800000000, -0.0000001500000000, -0.0000011000000000 ]  - [  -0.0001199900000000,  0.0000001800000000, -0.0000009400000000 ]  - [   0.0001253800000000,  0.0000001500000000, -0.0000011000000000 ]  - [  -0.0000007200000000,  0.0000000000000000,  0.0000660600000000 ]  - [  -0.0000012100000000,  0.0000000000000000, -0.0000681900000000 ]  - [  -0.0000005500000000,  0.0000000000000000,  0.0000631400000000 ]  - [  -0.0000010700000000,  0.0000000000000000, -0.0000652100000000 ]  - [   0.0000247000000000, -0.0000085000000000,  0.0007968800000000 ]  - [   0.0000234400000000,  0.0000082400000000, -0.0004565800000000 ]  - [   0.0000247000000000,  0.0000085000000000,  0.0007968800000000 ]  - [   0.0000234400000000, -0.0000082400000000, -0.0004565800000000 ]  - [   0.0018550800000000,  0.0000000000000000, -0.0002874600000000 ]  - [   0.0031832700000000,  0.0000000000000000, -0.0001398900000000 ]  - [  -0.0002117700000000,  0.0000000000000000, -0.0001824200000000 ]  - [   0.0003599300000000,  0.0000000000000000, -0.0001592600000000 ]  - [  -0.0011415000000000,  0.0000050100000000,  0.0020690000000000 ]  - [   0.0012107500000000, -0.0000000100000000,  0.0020652200000000 ]  - [  -0.0011415000000000, -0.0000050100000000,  0.0020690000000000 ]  - [   0.0012107500000000,  0.0000000100000000,  0.0020652200000000 ]  - [   0.0140898700000000,  0.0000000000000000, -0.0170428200000000 ]  - [   0.0141365600000000,  0.0000000000000000,  0.0130966200000000 ]  - [  -0.0000850000000000,  0.0000000000000000, -0.0034466200000000 ]  - [  -0.0001187200000000,  0.0000000000000000, -0.0006586000000000 ]  - [  -0.0046820700000000,  0.0000698900000000, -0.0021041100000000 ]  - [   0.0024992700000000, -0.0000046700000000, -0.0020561700000000 ]  - [  -0.0046820700000000, -0.0000698900000000, -0.0021041100000000 ]  - [   0.0024992700000000,  0.0000046700000000, -0.0020561700000000 ]  - [  -0.0000035000000000,  0.0000011600000000,  0.0020655300000000 ]  - [   0.0000007600000000,  0.0000002400000000,  0.0020667200000000 ]  - [  -0.0000035000000000, -0.0000011600000000,  0.0020655300000000 ]  - [   0.0000007600000000, -0.0000002400000000,  0.0020667200000000 ]  - [   0.0000007000000000,  0.0000001300000000, -0.0006155800000000 ]  - [   0.0000005300000000, -0.0000000400000000, -0.0006392500000000 ]  - [   0.0000007000000000, -0.0000001300000000, -0.0006155800000000 ]  - [   0.0000005300000000,  0.0000000400000000, -0.0006392500000000 ]  - [   0.0000088300000000,  0.0000000000000000,  0.0006190800000000 ]  - [   0.0000099400000000,  0.0000000000000000,  0.0006218000000000 ]  - [  -0.0000008300000000,  0.0000000000000000,  0.0006206700000000 ]  - [   0.0000021500000000,  0.0000000000000000,  0.0006213800000000 ]  - [   0.0002740500000000,  0.0000000000000000, -0.0000855500000000 ]  - [   0.0002498600000000,  0.0000000000000000,  0.0000850200000000 ]  - [   0.0000079800000000,  0.0000000000000000, -0.0001075900000000 ]  - [  -0.0000007100000000,  0.0000000000000000,  0.0001100300000000 ]  - [  -0.0001168900000000,  0.0000051600000000, -0.0000042900000000 ]  - [   0.0000695300000000, -0.0000002800000000,  0.0000024200000000 ]  - [  -0.0001168900000000, -0.0000051600000000, -0.0000042900000000 ]  - [   0.0000695300000000,  0.0000002800000000,  0.0000024200000000 ]  - [   0.0001015700000000,  0.0000000000000000,  0.0001594800000000 ]  - [   0.0001144000000000,  0.0000000000000000,  0.0001758600000000 ]  - [  -0.0000130700000000,  0.0000000000000000,  0.0001703400000000 ]  - [   0.0000200100000000,  0.0000000000000000,  0.0001757600000000 ]  - [   0.0000019900000000,  0.0000003400000000, -0.0000856200000000 ]  - [   0.0000015900000000, -0.0000005900000000, -0.0002708400000000 ]  - [   0.0000019900000000, -0.0000003400000000, -0.0000856200000000 ]  - [   0.0000015900000000,  0.0000005900000000, -0.0002708400000000 ]  - [   0.0000161000000000,  0.0000000000000000,  0.0020630300000000 ]  - [   0.0000126000000000,  0.0000000000000000,  0.0020692100000000 ]  - [   0.0000014600000000,  0.0000000000000000,  0.0020655900000000 ]  - [  -0.0000001300000000,  0.0000000000000000,  0.0020671700000000 ]  - [  -0.0000177200000000, -0.0000000100000000, -0.0020688300000000 ]  - [   0.0000188400000000, -0.0000000100000000, -0.0020689500000000 ]  - [  -0.0000177200000000,  0.0000000100000000, -0.0020688300000000 ]  - [   0.0000188400000000,  0.0000000100000000, -0.0020689500000000 ]  - [   0.0000000100000000,  0.0000000000000000, -0.0020589000000000 ]  - [  -0.0000000400000000,  0.0000000000000000, -0.0020790000000000 ]  - [   0.0000001300000000,  0.0000000000000000, -0.0020588000000000 ]  - [  -0.0000000100000000,  0.0000000000000000, -0.0020788700000000 ]  - [  -0.0000018700000000, -0.0000015100000000, -0.0002800200000000 ]  - [  -0.0000029300000000,  0.0000002800000000,  0.0002902200000000 ]  - [  -0.0000018700000000,  0.0000015100000000, -0.0002800200000000 ]  - [  -0.0000029300000000, -0.0000002800000000,  0.0002902200000000 ]  - [   0.0189375500000000,  0.0000000000000000,  0.0047507200000000 ]  - [  -0.0190305900000000,  0.0000000000000000,  0.0047785800000000 ]  - [   0.0026413500000000,  0.0000000000000000,  0.0048071600000000 ]  - [  -0.0022877600000000,  0.0000000000000000,  0.0047945600000000 ]  - [  -0.0000426100000000,  0.0002610300000000, -0.0076097700000000 ]  - [  -0.0000356200000000, -0.0002662600000000, -0.0020222500000000 ]  - [  -0.0000426100000000, -0.0002610300000000, -0.0076097700000000 ]  - [  -0.0000356200000000,  0.0002662600000000, -0.0020222500000000 ]  - [   0.0001463600000000,  0.0000000000000000,  0.0000407300000000 ]  - [  -0.0004094100000000,  0.0000000000000000, -0.0000176900000000 ]  - [   0.0001560800000000,  0.0000000000000000,  0.0000097100000000 ]  - [  -0.0001659200000000,  0.0000000000000000, -0.0000086200000000 ]  - [  -0.0000001200000000,  0.0000000900000000,  0.0047881800000000 ]  - [  -0.0000007200000000,  0.0000005700000000,  0.0048711800000000 ]  - [  -0.0000001200000000, -0.0000000900000000,  0.0047881800000000 ]  - [  -0.0000007200000000, -0.0000005700000000,  0.0048711800000000 ]  - [  -0.0000082900000000,  0.0000000000000000, -0.0048162000000000 ]  - [  -0.0000182300000000,  0.0000000000000000, -0.0048231500000000 ]  - [   0.0000023800000000,  0.0000000000000000, -0.0048200800000000 ]  - [  -0.0000036300000000,  0.0000000000000000, -0.0048230900000000 ]  - [   0.0002225200000000,  0.0000000000000000,  0.0005615000000000 ]  - [  -0.0002102500000000,  0.0000000000000000,  0.0005627400000000 ]  - [   0.0002714600000000,  0.0000000000000000,  0.0005621900000000 ]  - [  -0.0002645700000000,  0.0000000000000000,  0.0005631300000000 ]  - [   0.0000770000000000, -0.0007036500000000,  0.0003097600000000 ]  - [   0.0001050700000000,  0.0007012000000000, -0.0014410700000000 ]  - [   0.0000770000000000,  0.0007036500000000,  0.0003097600000000 ]  - [   0.0001050700000000, -0.0007012000000000, -0.0014410700000000 ]  - [  -0.0012358500000000, -0.0054695500000000,  0.0002182100000000 ]  - [  -0.0010566900000000,  0.0053455900000000, -0.0017337200000000 ]  - [  -0.0012358500000000,  0.0054695500000000,  0.0002182100000000 ]  - [  -0.0010566900000000, -0.0053455900000000, -0.0017337200000000 ]  - [   0.0069586100000000,  0.0000000000000000,  0.0008028700000000 ]  - [  -0.0030875900000000,  0.0000000000000000,  0.0007734000000000 ]  - [   0.0015995100000000,  0.0000000000000000,  0.0007507200000000 ]  - [  -0.0015963100000000,  0.0000000000000000,  0.0007602900000000 ]  - [   0.0000007300000000, -0.0000004500000000,  0.0005822800000000 ]  - [   0.0000036900000000, -0.0000025400000000,  0.0005428300000000 ]  - [   0.0000007300000000,  0.0000004500000000,  0.0005822800000000 ]  - [   0.0000036900000000,  0.0000025400000000,  0.0005428300000000 ]  - [   0.0000379700000000,  0.0000000000000000, -0.0005603800000000 ]  - [  -0.0000376800000000,  0.0000000000000000, -0.0005611300000000 ]  - [   0.0000372200000000,  0.0000000000000000, -0.0005587400000000 ]  - [  -0.0000368900000000,  0.0000000000000000, -0.0005594000000000 ]  - [   0.0000069800000000,  0.0000000000000000, -0.0007521700000000 ]  - [  -0.0000064500000000,  0.0000000000000000, -0.0007536700000000 ]  - [   0.0000064500000000,  0.0000000000000000, -0.0007525000000000 ]  - [  -0.0000063700000000,  0.0000000000000000, -0.0007531200000000 ]  - [  -0.0000002100000000,  0.0000002300000000,  0.0007559500000000 ]  - [   0.0000004100000000,  0.0000001100000000,  0.0007586400000000 ]  - [  -0.0000002100000000, -0.0000002300000000,  0.0007559500000000 ]  - [   0.0000004100000000, -0.0000001100000000,  0.0007586400000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0031118100000000,  0.0000000000000000,  0.0046290900000000 ]  - [  -0.0031118100000000,  0.0000000000000000,  0.0046290900000000 ]  - [   0.0002859900000000,  0.0000000000000000,  0.0028383100000000 ]  - [  -0.0002859900000000,  0.0000000000000000,  0.0028383100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1589672700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0142590800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0142590800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0093341600000000 ]  - [   0.0040691400000000,  0.0040691400000000,  0.0003155900000000 ]  - [  -0.0040691400000000,  0.0040691400000000,  0.0003155900000000 ]  - [   0.0040691400000000, -0.0040691400000000,  0.0003155900000000 ]  - [  -0.0040691400000000, -0.0040691400000000,  0.0003155900000000 ]  - [   0.0000000000000000,  0.0000003800000000,  0.0014920500000000 ]  - [   0.0000000000000000,  0.0000258600000000,  0.0014671800000000 ]  - [   0.0000000000000000, -0.0000003800000000,  0.0014920500000000 ]  - [   0.0000000000000000, -0.0000258600000000,  0.0014671800000000 ]  - [   0.0000003800000000,  0.0000000000000000,  0.0014920500000000 ]  - [  -0.0000003800000000,  0.0000000000000000,  0.0014920500000000 ]  - [   0.0000258600000000,  0.0000000000000000,  0.0014671800000000 ]  - [  -0.0000258600000000,  0.0000000000000000,  0.0014671800000000 ]  - [   0.0001880500000000,  0.0001880500000000,  0.0041642800000000 ]  - [  -0.0001880500000000,  0.0001880500000000,  0.0041642800000000 ]  - [   0.0001880500000000, -0.0001880500000000,  0.0041642800000000 ]  - [  -0.0001880500000000, -0.0001880500000000,  0.0041642800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0268691800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011586700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011586700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026247100000000 ]  - [   0.0000000000000000,  0.0031118100000000,  0.0046290900000000 ]  - [   0.0000000000000000,  0.0002859900000000,  0.0028383100000000 ]  - [   0.0000000000000000, -0.0031118100000000,  0.0046290900000000 ]  - [   0.0000000000000000, -0.0002859900000000,  0.0028383100000000 ]  - [  -0.0215886000000000,  0.0000000000000000,  0.0033306200000000 ]  - [   0.0215886000000000,  0.0000000000000000,  0.0033306200000000 ]  - [  -0.0027052200000000,  0.0000000000000000, -0.0055221500000000 ]  - [   0.0027052200000000,  0.0000000000000000, -0.0055221500000000 ]  - [   0.0000000000000000, -0.0215886000000000,  0.0033306200000000 ]  - [   0.0000000000000000, -0.0027052200000000, -0.0055221500000000 ]  - [   0.0000000000000000,  0.0215886000000000,  0.0033306200000000 ]  - [   0.0000000000000000,  0.0027052200000000, -0.0055221500000000 ]  - [   0.0000000000000000, -0.0002340000000000,  0.0036250100000000 ]  - [   0.0000000000000000, -0.0001450800000000,  0.0034265400000000 ]  - [   0.0000000000000000,  0.0002340000000000,  0.0036250100000000 ]  - [   0.0000000000000000,  0.0001450800000000,  0.0034265400000000 ]  - [  -0.0000119800000000, -0.0000119800000000,  0.0030336900000000 ]  - [   0.0000119800000000, -0.0000119800000000,  0.0030336900000000 ]  - [  -0.0000119800000000,  0.0000119800000000,  0.0030336900000000 ]  - [   0.0000119800000000,  0.0000119800000000,  0.0030336900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045896000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042534600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042534600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040872500000000 ]  - [  -0.0017704700000000,  0.0000000000000000,  0.0019930500000000 ]  - [   0.0017704700000000,  0.0000000000000000,  0.0019930500000000 ]  - [  -0.0007934900000000,  0.0000000000000000,  0.0007477500000000 ]  - [   0.0007934900000000,  0.0000000000000000,  0.0007477500000000 ]  - [   0.0000000000000000, -0.0017704700000000,  0.0019930500000000 ]  - [   0.0000000000000000, -0.0007934900000000,  0.0007477500000000 ]  - [   0.0000000000000000,  0.0017704700000000,  0.0019930500000000 ]  - [   0.0000000000000000,  0.0007934900000000,  0.0007477500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070295000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040694400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040694400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030650200000000 ]  - [   0.0000036000000000,  0.0000036000000000,  0.0040381900000000 ]  - [  -0.0000036000000000,  0.0000036000000000,  0.0040381900000000 ]  - [   0.0000036000000000, -0.0000036000000000,  0.0040381900000000 ]  - [  -0.0000036000000000, -0.0000036000000000,  0.0040381900000000 ]  - [  -0.0002340000000000,  0.0000000000000000,  0.0036250100000000 ]  - [   0.0002340000000000,  0.0000000000000000,  0.0036250100000000 ]  - [  -0.0001450800000000,  0.0000000000000000,  0.0034265400000000 ]  - [   0.0001450800000000,  0.0000000000000000,  0.0034265400000000 ]  - [   0.0000000000000000, -0.0000046100000000, -0.0005970200000000 ]  - [   0.0000000000000000, -0.0000032000000000, -0.0006020000000000 ]  - [   0.0000000000000000,  0.0000046100000000, -0.0005970200000000 ]  - [   0.0000000000000000,  0.0000032000000000, -0.0006020000000000 ]  - [  -0.0000046100000000,  0.0000000000000000, -0.0005970200000000 ]  - [   0.0000046100000000,  0.0000000000000000, -0.0005970200000000 ]  - [  -0.0000032000000000,  0.0000000000000000, -0.0006020000000000 ]  - [   0.0000032000000000,  0.0000000000000000, -0.0006020000000000 ]  - [  -0.0000218600000000, -0.0000218600000000, -0.0053126400000000 ]  - [   0.0000218600000000, -0.0000218600000000, -0.0053126400000000 ]  - [  -0.0000218600000000,  0.0000218600000000, -0.0053126400000000 ]  - [   0.0000218600000000,  0.0000218600000000, -0.0053126400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0577723000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0161276000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0161276000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0138536500000000 ]  - [  -0.0019073600000000, -0.0019073600000000, -0.0087819700000000 ]  - [   0.0019073600000000, -0.0019073600000000, -0.0087819700000000 ]  - [  -0.0019073600000000,  0.0019073600000000, -0.0087819700000000 ]  - [   0.0019073600000000,  0.0019073600000000, -0.0087819700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0129461300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0040900500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0040900500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010997100000000 ]  - [   0.0000035700000000,  0.0000035700000000, -0.0003430700000000 ]  - [  -0.0000035700000000,  0.0000035700000000, -0.0003430700000000 ]  - [   0.0000035700000000, -0.0000035700000000, -0.0003430700000000 ]  - [  -0.0000035700000000, -0.0000035700000000, -0.0003430700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0109767600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0098752300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0098752300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0092723400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022199800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014357000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014357000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010407600000000 ]  - [   0.0022685600000000,  0.0022685600000000, -0.0011911700000000 ]  - [  -0.0022685600000000,  0.0022685600000000, -0.0011911700000000 ]  - [   0.0022685600000000, -0.0022685600000000, -0.0011911700000000 ]  - [  -0.0022685600000000, -0.0022685600000000, -0.0011911700000000 ]  - [  -0.0031002400000000, -0.0031002400000000,  0.0137229600000000 ]  - [   0.0031002400000000, -0.0031002400000000,  0.0137229600000000 ]  - [  -0.0031002400000000,  0.0031002400000000,  0.0137229600000000 ]  - [   0.0031002400000000,  0.0031002400000000,  0.0137229600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0151067300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044137700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044137700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048493100000000 ]  - [   0.0003633800000000,  0.0003633800000000, -0.0012449200000000 ]  - [  -0.0003633800000000,  0.0003633800000000, -0.0012449200000000 ]  - [   0.0003633800000000, -0.0003633800000000, -0.0012449200000000 ]  - [  -0.0003633800000000, -0.0003633800000000, -0.0012449200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024609200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024528700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024528700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024430900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033721500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033287200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033287200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032952600000000 ]  - [   0.0000667200000000,  0.0000667200000000, -0.0018123600000000 ]  - [  -0.0000667200000000,  0.0000667200000000, -0.0018123600000000 ]  - [   0.0000667200000000, -0.0000667200000000, -0.0018123600000000 ]  - [  -0.0000667200000000, -0.0000667200000000, -0.0018123600000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0031466400000000,  0.0000000000000000, -0.0005048400000000 ]  - [   0.0031466400000000,  0.0000000000000000, -0.0005048400000000 ]  - [  -0.0002905100000000,  0.0000000000000000,  0.0013073400000000 ]  - [   0.0002905100000000,  0.0000000000000000,  0.0013073400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1534811900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0129383900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0129383900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0080545900000000 ]  - [  -0.0040785100000000, -0.0040785100000000,  0.0009970300000000 ]  - [   0.0040785100000000, -0.0040785100000000,  0.0009970300000000 ]  - [  -0.0040785100000000,  0.0040785100000000,  0.0009970300000000 ]  - [   0.0040785100000000,  0.0040785100000000,  0.0009970300000000 ]  - [   0.0000000000000000, -0.0000005200000000, -0.0014898200000000 ]  - [   0.0000000000000000, -0.0000261600000000, -0.0014646800000000 ]  - [   0.0000000000000000,  0.0000005200000000, -0.0014898200000000 ]  - [   0.0000000000000000,  0.0000261600000000, -0.0014646800000000 ]  - [  -0.0000005200000000,  0.0000000000000000, -0.0014898200000000 ]  - [   0.0000005200000000,  0.0000000000000000, -0.0014898200000000 ]  - [  -0.0000261600000000,  0.0000000000000000, -0.0014646800000000 ]  - [   0.0000261600000000,  0.0000000000000000, -0.0014646800000000 ]  - [  -0.0001898100000000, -0.0001898100000000, -0.0038016800000000 ]  - [   0.0001898100000000, -0.0001898100000000, -0.0038016800000000 ]  - [  -0.0001898100000000,  0.0001898100000000, -0.0038016800000000 ]  - [   0.0001898100000000,  0.0001898100000000, -0.0038016800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0267439600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015465700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015465700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022179800000000 ]  - [   0.0000000000000000, -0.0031466400000000, -0.0005048400000000 ]  - [   0.0000000000000000, -0.0002905100000000,  0.0013073400000000 ]  - [   0.0000000000000000,  0.0031466400000000, -0.0005048400000000 ]  - [   0.0000000000000000,  0.0002905100000000,  0.0013073400000000 ]  - [   0.0213195100000000,  0.0000000000000000, -0.0075107400000000 ]  - [  -0.0213195100000000,  0.0000000000000000, -0.0075107400000000 ]  - [   0.0026833300000000,  0.0000000000000000,  0.0013413100000000 ]  - [  -0.0026833300000000,  0.0000000000000000,  0.0013413100000000 ]  - [   0.0000000000000000,  0.0213195100000000, -0.0075107400000000 ]  - [   0.0000000000000000,  0.0026833300000000,  0.0013413100000000 ]  - [   0.0000000000000000, -0.0213195100000000, -0.0075107400000000 ]  - [   0.0000000000000000, -0.0026833300000000,  0.0013413100000000 ]  - [   0.0000000000000000,  0.0002310300000000,  0.0005133700000000 ]  - [   0.0000000000000000,  0.0001441400000000,  0.0007095700000000 ]  - [   0.0000000000000000, -0.0002310300000000,  0.0005133700000000 ]  - [   0.0000000000000000, -0.0001441400000000,  0.0007095700000000 ]  - [   0.0000116800000000,  0.0000116800000000, -0.0042756000000000 ]  - [  -0.0000116800000000,  0.0000116800000000, -0.0042756000000000 ]  - [   0.0000116800000000, -0.0000116800000000, -0.0042756000000000 ]  - [  -0.0000116800000000, -0.0000116800000000, -0.0042756000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033299800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029984700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029984700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028337000000000 ]  - [   0.0017390400000000,  0.0000000000000000, -0.0019833900000000 ]  - [  -0.0017390400000000,  0.0000000000000000, -0.0019833900000000 ]  - [   0.0007852400000000,  0.0000000000000000, -0.0007544100000000 ]  - [  -0.0007852400000000,  0.0000000000000000, -0.0007544100000000 ]  - [   0.0000000000000000,  0.0017390400000000, -0.0019833900000000 ]  - [   0.0000000000000000,  0.0007852400000000, -0.0007544100000000 ]  - [   0.0000000000000000, -0.0017390400000000, -0.0019833900000000 ]  - [   0.0000000000000000, -0.0007852400000000, -0.0007544100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0066343400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037153100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037153100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027228600000000 ]  - [  -0.0000037800000000, -0.0000037800000000, -0.0043796000000000 ]  - [   0.0000037800000000, -0.0000037800000000, -0.0043796000000000 ]  - [  -0.0000037800000000,  0.0000037800000000, -0.0043796000000000 ]  - [   0.0000037800000000,  0.0000037800000000, -0.0043796000000000 ]  - [   0.0002310300000000,  0.0000000000000000,  0.0005133700000000 ]  - [  -0.0002310300000000,  0.0000000000000000,  0.0005133700000000 ]  - [   0.0001441400000000,  0.0000000000000000,  0.0007095700000000 ]  - [  -0.0001441400000000,  0.0000000000000000,  0.0007095700000000 ]  - [   0.0000000000000000,  0.0000042800000000, -0.0035349300000000 ]  - [   0.0000000000000000,  0.0000029700000000, -0.0035301900000000 ]  - [   0.0000000000000000, -0.0000042800000000, -0.0035349300000000 ]  - [   0.0000000000000000, -0.0000029700000000, -0.0035301900000000 ]  - [   0.0000042800000000,  0.0000000000000000, -0.0035349300000000 ]  - [  -0.0000042800000000,  0.0000000000000000, -0.0035349300000000 ]  - [   0.0000029700000000,  0.0000000000000000, -0.0035301900000000 ]  - [  -0.0000029700000000,  0.0000000000000000, -0.0035301900000000 ]  - [   0.0000220000000000,  0.0000220000000000,  0.0053009400000000 ]  - [  -0.0000220000000000,  0.0000220000000000,  0.0053009400000000 ]  - [   0.0000220000000000, -0.0000220000000000,  0.0053009400000000 ]  - [  -0.0000220000000000, -0.0000220000000000,  0.0053009400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0425442300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063497900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063497900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0040935500000000 ]  - [   0.0019332400000000,  0.0019332400000000, -0.0009095000000000 ]  - [  -0.0019332400000000,  0.0019332400000000, -0.0009095000000000 ]  - [   0.0019332400000000, -0.0019332400000000, -0.0009095000000000 ]  - [  -0.0019332400000000, -0.0019332400000000, -0.0009095000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0128106700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041068800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041068800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011342000000000 ]  - [  -0.0000041200000000, -0.0000041200000000,  0.0099827100000000 ]  - [   0.0000041200000000, -0.0000041200000000,  0.0099827100000000 ]  - [  -0.0000041200000000,  0.0000041200000000,  0.0099827100000000 ]  - [   0.0000041200000000,  0.0000041200000000,  0.0099827100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013035900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002159800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002159800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003805200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033554500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025567000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025567000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021568000000000 ]  - [  -0.0022435000000000, -0.0022435000000000,  0.0000881500000000 ]  - [   0.0022435000000000, -0.0022435000000000,  0.0000881500000000 ]  - [  -0.0022435000000000,  0.0022435000000000,  0.0000881500000000 ]  - [   0.0022435000000000,  0.0022435000000000,  0.0000881500000000 ]  - [   0.0029962600000000,  0.0029962600000000, -0.0152063700000000 ]  - [  -0.0029962600000000,  0.0029962600000000, -0.0152063700000000 ]  - [   0.0029962600000000, -0.0029962600000000, -0.0152063700000000 ]  - [  -0.0029962600000000, -0.0029962600000000, -0.0152063700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0152828000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029384300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029384300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033674300000000 ]  - [  -0.0003582800000000, -0.0003582800000000,  0.0023645400000000 ]  - [   0.0003582800000000, -0.0003582800000000,  0.0023645400000000 ]  - [  -0.0003582800000000,  0.0003582800000000,  0.0023645400000000 ]  - [   0.0003582800000000,  0.0003582800000000,  0.0023645400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013357000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013263800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013263800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013157000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018554600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018134700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018134700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017812600000000 ]  - [  -0.0000658700000000, -0.0000658700000000,  0.0033188700000000 ]  - [   0.0000658700000000, -0.0000658700000000,  0.0033188700000000 ]  - [  -0.0000658700000000,  0.0000658700000000,  0.0033188700000000 ]  - [   0.0000658700000000,  0.0000658700000000,  0.0033188700000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000094800000000, -0.0011988300000000,  0.0007538400000000 ]  - [  -0.0000276600000000,  0.0012167600000000,  0.0033764100000000 ]  - [  -0.0000094800000000,  0.0011988300000000,  0.0007538400000000 ]  - [  -0.0000276600000000, -0.0012167600000000,  0.0033764100000000 ]  - [  -0.0001202300000000,  0.0000005700000000, -0.0006240800000000 ]  - [   0.0001254800000000,  0.0000007200000000, -0.0006232300000000 ]  - [  -0.0001202300000000, -0.0000005700000000, -0.0006240800000000 ]  - [   0.0001254800000000, -0.0000007200000000, -0.0006232300000000 ]  - [   0.0002627500000000,  0.0000000000000000, -0.0011230500000000 ]  - [   0.0002609500000000,  0.0000000000000000,  0.0023875400000000 ]  - [   0.0000057900000000,  0.0000000000000000, -0.0001679900000000 ]  - [   0.0000012600000000,  0.0000000000000000,  0.0014097800000000 ]  - [  -0.2016872100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0725210400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0108884800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0134368700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0136957200000000, -0.0249859100000000,  0.0000000000000000 ]  - [   0.0136224400000000,  0.0253031600000000,  0.0000000000000000 ]  - [   0.0136957200000000,  0.0249859100000000,  0.0000000000000000 ]  - [   0.0136224400000000, -0.0253031600000000,  0.0000000000000000 ]  - [   0.0135743200000000,  0.0000000000000000, -0.0261645500000000 ]  - [   0.0134998600000000,  0.0000000000000000,  0.0268600200000000 ]  - [  -0.0000214300000000,  0.0000000000000000, -0.0030697700000000 ]  - [  -0.0000569300000000,  0.0000000000000000,  0.0034436400000000 ]  - [  -0.0000041100000000,  0.0000001100000000, -0.0001745000000000 ]  - [   0.0000054400000000,  0.0000003200000000, -0.0001747500000000 ]  - [  -0.0000041100000000, -0.0000001100000000, -0.0001745000000000 ]  - [   0.0000054400000000, -0.0000003200000000, -0.0001747500000000 ]  - [  -0.0054978700000000,  0.0000000000000000,  0.0020671900000000 ]  - [   0.0067680200000000,  0.0000000000000000,  0.0020790000000000 ]  - [  -0.0015722600000000,  0.0000000000000000,  0.0020440200000000 ]  - [   0.0015569900000000,  0.0000000000000000,  0.0020682000000000 ]  - [   0.0000004800000000, -0.0000093700000000, -0.0020896000000000 ]  - [   0.0000003900000000,  0.0000100400000000, -0.0020447200000000 ]  - [   0.0000004800000000,  0.0000093700000000, -0.0020896000000000 ]  - [   0.0000003900000000, -0.0000100400000000, -0.0020447200000000 ]  - [  -0.0000507600000000,  0.0000000000000000, -0.0020671500000000 ]  - [   0.0000474400000000,  0.0000000000000000, -0.0020670400000000 ]  - [  -0.0000316800000000,  0.0000000000000000, -0.0020673400000000 ]  - [   0.0000312700000000,  0.0000000000000000, -0.0020672700000000 ]  - [  -0.0000507600000000,  0.0000000000000000,  0.0020671500000000 ]  - [   0.0000474400000000,  0.0000000000000000,  0.0020670400000000 ]  - [  -0.0000316800000000,  0.0000000000000000,  0.0020673400000000 ]  - [   0.0000312700000000,  0.0000000000000000,  0.0020672700000000 ]  - [   0.0002627500000000,  0.0000000000000000,  0.0011230500000000 ]  - [   0.0002609500000000,  0.0000000000000000, -0.0023875400000000 ]  - [   0.0000057900000000,  0.0000000000000000,  0.0001679900000000 ]  - [   0.0000012600000000,  0.0000000000000000, -0.0014097800000000 ]  - [  -0.0001202300000000,  0.0000005700000000,  0.0006240800000000 ]  - [   0.0001254800000000,  0.0000007200000000,  0.0006232300000000 ]  - [  -0.0001202300000000, -0.0000005700000000,  0.0006240800000000 ]  - [   0.0001254800000000, -0.0000007200000000,  0.0006232300000000 ]  - [   0.0000004300000000,  0.0000003500000000,  0.0000000000000000 ]  - [   0.0000000800000000,  0.0000001200000000,  0.0000000000000000 ]  - [   0.0000004300000000, -0.0000003500000000,  0.0000000000000000 ]  - [   0.0000000800000000, -0.0000001200000000,  0.0000000000000000 ]  - [  -0.0000003800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000004600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000004500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000005700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000041100000000,  0.0000001100000000,  0.0001745000000000 ]  - [   0.0000054400000000,  0.0000003200000000,  0.0001747500000000 ]  - [  -0.0000041100000000, -0.0000001100000000,  0.0001745000000000 ]  - [   0.0000054400000000, -0.0000003200000000,  0.0001747500000000 ]  - [   0.0135743200000000,  0.0000000000000000,  0.0261645500000000 ]  - [   0.0134998600000000,  0.0000000000000000, -0.0268600200000000 ]  - [  -0.0000214300000000,  0.0000000000000000,  0.0030697700000000 ]  - [  -0.0000569300000000,  0.0000000000000000, -0.0034436400000000 ]  - [   0.0000004800000000, -0.0000093700000000,  0.0020896000000000 ]  - [   0.0000003900000000,  0.0000100400000000,  0.0020447200000000 ]  - [   0.0000004800000000,  0.0000093700000000,  0.0020896000000000 ]  - [   0.0000003900000000, -0.0000100400000000,  0.0020447200000000 ]  - [  -0.0054978700000000,  0.0000000000000000, -0.0020671900000000 ]  - [   0.0067680200000000,  0.0000000000000000, -0.0020790000000000 ]  - [  -0.0015722600000000,  0.0000000000000000, -0.0020440200000000 ]  - [   0.0015569900000000,  0.0000000000000000, -0.0020682000000000 ]  - [  -0.0000094800000000, -0.0011988300000000, -0.0007538400000000 ]  - [  -0.0000276600000000,  0.0012167600000000, -0.0033764100000000 ]  - [  -0.0000094800000000,  0.0011988300000000, -0.0007538400000000 ]  - [  -0.0000276600000000, -0.0012167600000000, -0.0033764100000000 ]  - [  -0.0000066400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0053567400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007362300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0006864100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000473600000000,  0.0000002500000000,  0.0048258000000000 ]  - [  -0.0000485100000000, -0.0000002100000000,  0.0048278200000000 ]  - [   0.0000473600000000, -0.0000002500000000,  0.0048258000000000 ]  - [  -0.0000485100000000,  0.0000002100000000,  0.0048278200000000 ]  - [  -0.0003583100000000,  0.0000000000000000,  0.0087853500000000 ]  - [  -0.0003354500000000,  0.0000000000000000, -0.0185141000000000 ]  - [  -0.0000176400000000,  0.0000000000000000, -0.0024968600000000 ]  - [   0.0000197600000000,  0.0000000000000000, -0.0071495300000000 ]  - [   0.0000005800000000, -0.0000003000000000,  0.0000000000000000 ]  - [  -0.0000012800000000, -0.0000001900000000,  0.0000000000000000 ]  - [   0.0000005800000000,  0.0000003000000000,  0.0000000000000000 ]  - [  -0.0000012800000000,  0.0000001900000000,  0.0000000000000000 ]  - [  -0.0003583100000000,  0.0000000000000000, -0.0087853500000000 ]  - [  -0.0003354500000000,  0.0000000000000000,  0.0185141000000000 ]  - [  -0.0000176400000000,  0.0000000000000000,  0.0024968600000000 ]  - [   0.0000197600000000,  0.0000000000000000,  0.0071495300000000 ]  - [   0.0000473600000000,  0.0000002500000000, -0.0048258000000000 ]  - [  -0.0000485100000000, -0.0000002100000000, -0.0048278200000000 ]  - [   0.0000473600000000, -0.0000002500000000, -0.0048258000000000 ]  - [  -0.0000485100000000,  0.0000002100000000, -0.0048278200000000 ]  - [   0.0091233200000000,  0.0001047100000000,  0.0006642800000000 ]  - [  -0.0061327300000000, -0.0000180200000000,  0.0005440000000000 ]  - [   0.0091233200000000, -0.0001047100000000,  0.0006642800000000 ]  - [  -0.0061327300000000,  0.0000180200000000,  0.0005440000000000 ]  - [   0.0000002100000000,  0.0000000000000000, -0.0005519900000000 ]  - [  -0.0000001300000000,  0.0000000000000000, -0.0005696600000000 ]  - [  -0.0000002200000000,  0.0000000000000000, -0.0005543200000000 ]  - [   0.0000002600000000,  0.0000000000000000, -0.0005674800000000 ]  - [   0.0000053500000000,  0.0000000000000000, -0.0005464400000000 ]  - [   0.0000046300000000,  0.0000000000000000, -0.0009652200000000 ]  - [   0.0000000800000000,  0.0000000000000000, -0.0005748000000000 ]  - [   0.0000016100000000,  0.0000000000000000, -0.0009312300000000 ]  - [   0.0007313700000000, -0.0000036600000000,  0.0007596200000000 ]  - [  -0.0007265200000000, -0.0000034100000000,  0.0007554800000000 ]  - [   0.0007313700000000,  0.0000036600000000,  0.0007596200000000 ]  - [  -0.0007265200000000,  0.0000034100000000,  0.0007554800000000 ]  - [   0.0000002100000000,  0.0000000000000000,  0.0005519900000000 ]  - [  -0.0000001300000000,  0.0000000000000000,  0.0005696600000000 ]  - [  -0.0000002200000000,  0.0000000000000000,  0.0005543200000000 ]  - [   0.0000002600000000,  0.0000000000000000,  0.0005674800000000 ]  - [   0.0091233200000000,  0.0001047100000000, -0.0006642800000000 ]  - [  -0.0061327300000000, -0.0000180200000000, -0.0005440000000000 ]  - [   0.0091233200000000, -0.0001047100000000, -0.0006642800000000 ]  - [  -0.0061327300000000,  0.0000180200000000, -0.0005440000000000 ]  - [   0.0007313700000000, -0.0000036600000000, -0.0007596200000000 ]  - [  -0.0007265200000000, -0.0000034100000000, -0.0007554800000000 ]  - [   0.0007313700000000,  0.0000036600000000, -0.0007596200000000 ]  - [  -0.0007265200000000,  0.0000034100000000, -0.0007554800000000 ]  - [   0.0000053500000000,  0.0000000000000000,  0.0005464400000000 ]  - [   0.0000046300000000,  0.0000000000000000,  0.0009652200000000 ]  - [   0.0000000800000000,  0.0000000000000000,  0.0005748000000000 ]  - [   0.0000016100000000,  0.0000000000000000,  0.0009312300000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003555500000000, -0.0000300800000000,  0.0024761900000000 ]  - [   0.0003555500000000, -0.0000300800000000,  0.0024761900000000 ]  - [   0.0003486000000000, -0.0000117200000000,  0.0016623400000000 ]  - [  -0.0003486000000000, -0.0000117200000000,  0.0016623400000000 ]  - [   0.0000000000000000, -0.0000013900000000, -0.0006222800000000 ]  - [   0.0000000000000000, -0.0000012000000000, -0.0005980900000000 ]  - [   0.0000000000000000, -0.0000005100000000, -0.0006242900000000 ]  - [   0.0000000000000000, -0.0000004300000000, -0.0006493500000000 ]  - [  -0.0000005500000000, -0.0001171200000000,  0.0006185000000000 ]  - [   0.0000005500000000, -0.0001171200000000,  0.0006185000000000 ]  - [  -0.0000006300000000,  0.0000697100000000,  0.0006274400000000 ]  - [   0.0000006300000000,  0.0000697100000000,  0.0006274400000000 ]  - [   0.0000000000000000, -0.0546347200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0028950800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0047196500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0057590300000000,  0.0000000000000000 ]  - [  -0.0146225700000000,  0.0136876100000000,  0.0000000000000000 ]  - [   0.0146225700000000,  0.0136876100000000,  0.0000000000000000 ]  - [   0.0144020300000000,  0.0136325900000000,  0.0000000000000000 ]  - [  -0.0144020300000000,  0.0136325900000000,  0.0000000000000000 ]  - [   0.0000318600000000, -0.0041806800000000,  0.0001099200000000 ]  - [  -0.0000318600000000, -0.0041806800000000,  0.0001099200000000 ]  - [  -0.0000045600000000,  0.0018933500000000,  0.0001853900000000 ]  - [   0.0000045600000000,  0.0018933500000000,  0.0001853900000000 ]  - [   0.0000000000000000,  0.0000001100000000, -0.0001746100000000 ]  - [   0.0000000000000000,  0.0000001800000000, -0.0001716600000000 ]  - [   0.0000000000000000,  0.0000001200000000, -0.0001750500000000 ]  - [   0.0000000000000000, -0.0000001600000000, -0.0001776800000000 ]  - [   0.0000000000000000, -0.0009414900000000,  0.0020639600000000 ]  - [   0.0000000000000000, -0.0001052600000000,  0.0020558700000000 ]  - [   0.0000000000000000,  0.0017246600000000,  0.0020803900000000 ]  - [   0.0000000000000000,  0.0002429800000000,  0.0020692900000000 ]  - [   0.0000028700000000,  0.0000003500000000, -0.0020657500000000 ]  - [  -0.0000028700000000,  0.0000003500000000, -0.0020657500000000 ]  - [  -0.0000027300000000,  0.0000004300000000, -0.0020687300000000 ]  - [   0.0000027300000000,  0.0000004300000000, -0.0020687300000000 ]  - [   0.0000000000000000,  0.0000004200000000, -0.0020674200000000 ]  - [   0.0000000000000000, -0.0000060500000000, -0.0020674100000000 ]  - [   0.0000000000000000, -0.0000005200000000, -0.0020671600000000 ]  - [   0.0000000000000000,  0.0000059200000000, -0.0020672300000000 ]  - [   0.0000000000000000,  0.0000004200000000,  0.0020674200000000 ]  - [   0.0000000000000000, -0.0000060500000000,  0.0020674100000000 ]  - [   0.0000000000000000, -0.0000005200000000,  0.0020671600000000 ]  - [   0.0000000000000000,  0.0000059200000000,  0.0020672300000000 ]  - [  -0.0000005500000000, -0.0001171200000000, -0.0006185000000000 ]  - [   0.0000005500000000, -0.0001171200000000, -0.0006185000000000 ]  - [  -0.0000006300000000,  0.0000697100000000, -0.0006274400000000 ]  - [   0.0000006300000000,  0.0000697100000000, -0.0006274400000000 ]  - [   0.0000000000000000, -0.0000013900000000,  0.0006222800000000 ]  - [   0.0000000000000000, -0.0000012000000000,  0.0005980900000000 ]  - [   0.0000000000000000, -0.0000005100000000,  0.0006242900000000 ]  - [   0.0000000000000000, -0.0000004300000000,  0.0006493500000000 ]  - [  -0.0000008400000000,  0.0000003000000000,  0.0000000000000000 ]  - [   0.0000008400000000,  0.0000003000000000,  0.0000000000000000 ]  - [   0.0000003400000000,  0.0000000200000000,  0.0000000000000000 ]  - [  -0.0000003400000000,  0.0000000200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000015800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000003200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000018000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000004900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000001100000000,  0.0001746100000000 ]  - [   0.0000000000000000,  0.0000001800000000,  0.0001716600000000 ]  - [   0.0000000000000000,  0.0000001200000000,  0.0001750500000000 ]  - [   0.0000000000000000, -0.0000001600000000,  0.0001776800000000 ]  - [   0.0000318600000000, -0.0041806800000000, -0.0001099200000000 ]  - [  -0.0000318600000000, -0.0041806800000000, -0.0001099200000000 ]  - [  -0.0000045600000000,  0.0018933500000000, -0.0001853900000000 ]  - [   0.0000045600000000,  0.0018933500000000, -0.0001853900000000 ]  - [   0.0000028700000000,  0.0000003500000000,  0.0020657500000000 ]  - [  -0.0000028700000000,  0.0000003500000000,  0.0020657500000000 ]  - [  -0.0000027300000000,  0.0000004300000000,  0.0020687300000000 ]  - [   0.0000027300000000,  0.0000004300000000,  0.0020687300000000 ]  - [   0.0000000000000000, -0.0009414900000000, -0.0020639600000000 ]  - [   0.0000000000000000, -0.0001052600000000, -0.0020558700000000 ]  - [   0.0000000000000000,  0.0017246600000000, -0.0020803900000000 ]  - [   0.0000000000000000,  0.0002429800000000, -0.0020692900000000 ]  - [  -0.0003555500000000, -0.0000300800000000, -0.0024761900000000 ]  - [   0.0003555500000000, -0.0000300800000000, -0.0024761900000000 ]  - [   0.0003486000000000, -0.0000117200000000, -0.0016623400000000 ]  - [  -0.0003486000000000, -0.0000117200000000, -0.0016623400000000 ]  - [   0.0001635100000000,  0.0151756000000000,  0.0000000000000000 ]  - [  -0.0001635100000000,  0.0151756000000000,  0.0000000000000000 ]  - [   0.0000131400000000, -0.0171225200000000,  0.0000000000000000 ]  - [  -0.0000131400000000, -0.0171225200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000009400000000,  0.0048259000000000 ]  - [   0.0000000000000000,  0.0000009200000000,  0.0048150700000000 ]  - [   0.0000000000000000,  0.0000002000000000,  0.0048250300000000 ]  - [   0.0000000000000000, -0.0000000800000000,  0.0048393100000000 ]  - [   0.0000074000000000,  0.0008346100000000, -0.0047973900000000 ]  - [  -0.0000074000000000,  0.0008346100000000, -0.0047973900000000 ]  - [   0.0000079600000000, -0.0007847900000000, -0.0048395200000000 ]  - [  -0.0000079600000000, -0.0007847900000000, -0.0048395200000000 ]  - [   0.0000000000000000,  0.0000007100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000004000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000004800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000004000000000,  0.0000000000000000 ]  - [   0.0000074000000000,  0.0008346100000000,  0.0047973900000000 ]  - [  -0.0000074000000000,  0.0008346100000000,  0.0047973900000000 ]  - [   0.0000079600000000, -0.0007847900000000,  0.0048395200000000 ]  - [  -0.0000079600000000, -0.0007847900000000,  0.0048395200000000 ]  - [   0.0000000000000000,  0.0000009400000000, -0.0048259000000000 ]  - [   0.0000000000000000,  0.0000009200000000, -0.0048150700000000 ]  - [   0.0000000000000000,  0.0000002000000000, -0.0048250300000000 ]  - [   0.0000000000000000, -0.0000000800000000, -0.0048393100000000 ]  - [   0.0000000000000000, -0.0006125500000000, -0.0033999600000000 ]  - [   0.0000000000000000,  0.0002231100000000, -0.0009755100000000 ]  - [   0.0000000000000000, -0.0007925100000000,  0.0046647200000000 ]  - [   0.0000000000000000,  0.0001792500000000,  0.0020947300000000 ]  - [   0.0000002200000000,  0.0000008700000000, -0.0005605800000000 ]  - [  -0.0000002200000000,  0.0000008700000000, -0.0005605800000000 ]  - [  -0.0000003800000000, -0.0000004700000000, -0.0005608900000000 ]  - [   0.0000003800000000, -0.0000004700000000, -0.0005608900000000 ]  - [   0.0000006400000000,  0.0000030600000000, -0.0007528000000000 ]  - [  -0.0000006400000000,  0.0000030600000000, -0.0007528000000000 ]  - [  -0.0000006000000000, -0.0000034900000000, -0.0007535000000000 ]  - [   0.0000006000000000, -0.0000034900000000, -0.0007535000000000 ]  - [   0.0000000000000000,  0.0000014400000000,  0.0005651900000000 ]  - [   0.0000000000000000,  0.0000006700000000,  0.0006622800000000 ]  - [   0.0000000000000000, -0.0000056900000000,  0.0009355500000000 ]  - [   0.0000000000000000, -0.0000050400000000,  0.0008454100000000 ]  - [   0.0000002200000000,  0.0000008700000000,  0.0005605800000000 ]  - [  -0.0000002200000000,  0.0000008700000000,  0.0005605800000000 ]  - [  -0.0000003800000000, -0.0000004700000000,  0.0005608900000000 ]  - [   0.0000003800000000, -0.0000004700000000,  0.0005608900000000 ]  - [   0.0000000000000000, -0.0006125500000000,  0.0033999600000000 ]  - [   0.0000000000000000,  0.0002231100000000,  0.0009755100000000 ]  - [   0.0000000000000000, -0.0007925100000000, -0.0046647200000000 ]  - [   0.0000000000000000,  0.0001792500000000, -0.0020947300000000 ]  - [   0.0000000000000000,  0.0000014400000000, -0.0005651900000000 ]  - [   0.0000000000000000,  0.0000006700000000, -0.0006622800000000 ]  - [   0.0000000000000000, -0.0000056900000000, -0.0009355500000000 ]  - [   0.0000000000000000, -0.0000050400000000, -0.0008454100000000 ]  - [   0.0000006400000000,  0.0000030600000000,  0.0007528000000000 ]  - [  -0.0000006400000000,  0.0000030600000000,  0.0007528000000000 ]  - [  -0.0000006000000000, -0.0000034900000000,  0.0007535000000000 ]  - [   0.0000006000000000, -0.0000034900000000,  0.0007535000000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0003926900000000,  0.0012643500000000,  0.0023367600000000 ]  - [   0.0003926900000000,  0.0012643500000000,  0.0023367600000000 ]  - [  -0.0003926900000000, -0.0012643500000000,  0.0023367600000000 ]  - [   0.0003926900000000, -0.0012643500000000,  0.0023367600000000 ]  - [   0.0000000000000000,  0.0000674100000000,  0.0008679300000000 ]  - [   0.0000000000000000,  0.0000646100000000,  0.0008414100000000 ]  - [   0.0000000000000000, -0.0000674100000000,  0.0008679300000000 ]  - [   0.0000000000000000, -0.0000646100000000,  0.0008414100000000 ]  - [  -0.0000866800000000,  0.0000000000000000,  0.0026140400000000 ]  - [   0.0000866800000000,  0.0000000000000000,  0.0026140400000000 ]  - [  -0.0001094000000000,  0.0000000000000000,  0.0013721700000000 ]  - [   0.0001094000000000,  0.0000000000000000,  0.0013721700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0585371900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002105300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036733800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020103500000000 ]  - [   0.0000306700000000, -0.0000573200000000, -0.0059157600000000 ]  - [  -0.0000306700000000, -0.0000573200000000, -0.0059157600000000 ]  - [   0.0000306700000000,  0.0000573200000000, -0.0059157600000000 ]  - [  -0.0000306700000000,  0.0000573200000000, -0.0059157600000000 ]  - [  -0.0147758800000000,  0.0000000000000000,  0.0075359700000000 ]  - [   0.0147758800000000,  0.0000000000000000,  0.0075359700000000 ]  - [  -0.0008452800000000,  0.0000000000000000, -0.0042191400000000 ]  - [   0.0008452800000000,  0.0000000000000000, -0.0042191400000000 ]  - [   0.0000000000000000,  0.0000024700000000,  0.0015175900000000 ]  - [   0.0000000000000000,  0.0000026000000000,  0.0015147200000000 ]  - [   0.0000000000000000, -0.0000024700000000,  0.0015175900000000 ]  - [   0.0000000000000000, -0.0000026000000000,  0.0015147200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036770900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043361800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031361000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016794400000000 ]  - [  -0.0000014700000000,  0.0000205000000000, -0.0014818600000000 ]  - [   0.0000014700000000,  0.0000205000000000, -0.0014818600000000 ]  - [  -0.0000014700000000, -0.0000205000000000, -0.0014818600000000 ]  - [   0.0000014700000000, -0.0000205000000000, -0.0014818600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014678000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014703300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014906000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014934200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026671400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026642400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026441900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026411600000000 ]  - [   0.0000838300000000,  0.0000000000000000,  0.0013613200000000 ]  - [  -0.0000838300000000,  0.0000000000000000,  0.0013613200000000 ]  - [   0.0001082100000000,  0.0000000000000000,  0.0001292600000000 ]  - [  -0.0001082100000000,  0.0000000000000000,  0.0001292600000000 ]  - [   0.0000000000000000, -0.0000668600000000,  0.0021152500000000 ]  - [   0.0000000000000000, -0.0000639300000000,  0.0020902700000000 ]  - [   0.0000000000000000,  0.0000668600000000,  0.0021152500000000 ]  - [   0.0000000000000000,  0.0000639300000000,  0.0020902700000000 ]  - [  -0.0000006000000000,  0.0000001200000000,  0.0005853700000000 ]  - [   0.0000006000000000,  0.0000001200000000,  0.0005853700000000 ]  - [  -0.0000006000000000, -0.0000001200000000,  0.0005853700000000 ]  - [   0.0000006000000000, -0.0000001200000000,  0.0005853700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005870800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005853500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005854200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005845100000000 ]  - [   0.0000000000000000, -0.0000024800000000,  0.0018694300000000 ]  - [   0.0000000000000000, -0.0000024100000000,  0.0018645100000000 ]  - [   0.0000000000000000,  0.0000024800000000,  0.0018694300000000 ]  - [   0.0000000000000000,  0.0000024100000000,  0.0018645100000000 ]  - [   0.0145559700000000,  0.0000000000000000,  0.0071289700000000 ]  - [  -0.0145559700000000,  0.0000000000000000,  0.0071289700000000 ]  - [   0.0008318200000000,  0.0000000000000000, -0.0045317200000000 ]  - [  -0.0008318200000000,  0.0000000000000000, -0.0045317200000000 ]  - [   0.0000027700000000, -0.0000201100000000,  0.0026526100000000 ]  - [  -0.0000027700000000, -0.0000201100000000,  0.0026526100000000 ]  - [   0.0000027700000000,  0.0000201100000000,  0.0026526100000000 ]  - [  -0.0000027700000000,  0.0000201100000000,  0.0026526100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004613300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001849100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010128600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024462800000000 ]  - [   0.0003880500000000, -0.0012593800000000, -0.0017929400000000 ]  - [  -0.0003880500000000, -0.0012593800000000, -0.0017929400000000 ]  - [   0.0003880500000000,  0.0012593800000000, -0.0017929400000000 ]  - [  -0.0003880500000000,  0.0012593800000000, -0.0017929400000000 ]  - [   0.0001644800000000,  0.0000000000000000,  0.0232315900000000 ]  - [  -0.0001644800000000,  0.0000000000000000,  0.0232315900000000 ]  - [   0.0000094300000000,  0.0000000000000000,  0.0076464300000000 ]  - [  -0.0000094300000000,  0.0000000000000000,  0.0076464300000000 ]  - [   0.0000000000000000, -0.0000241700000000,  0.0027532400000000 ]  - [   0.0000000000000000, -0.0000299800000000,  0.0027614600000000 ]  - [   0.0000000000000000,  0.0000241700000000,  0.0027532400000000 ]  - [   0.0000000000000000,  0.0000299800000000,  0.0027614600000000 ]  - [   0.0001703400000000,  0.0000000000000000, -0.0107013400000000 ]  - [  -0.0001703400000000,  0.0000000000000000, -0.0107013400000000 ]  - [   0.0010655200000000,  0.0000000000000000, -0.0033946200000000 ]  - [  -0.0010655200000000,  0.0000000000000000, -0.0033946200000000 ]  - [   0.0000000000000000, -0.0000019500000000, -0.0021354500000000 ]  - [   0.0000000000000000, -0.0000020800000000, -0.0021284800000000 ]  - [   0.0000000000000000,  0.0000019500000000, -0.0021354500000000 ]  - [   0.0000000000000000,  0.0000020800000000, -0.0021284800000000 ]  - [  -0.0001596300000000,  0.0000000000000000, -0.0010239400000000 ]  - [   0.0001596300000000,  0.0000000000000000, -0.0010239400000000 ]  - [  -0.0010570200000000,  0.0000000000000000,  0.0062341000000000 ]  - [   0.0010570200000000,  0.0000000000000000,  0.0062341000000000 ]  - [   0.0000000000000000,  0.0000230900000000, -0.0069019400000000 ]  - [   0.0000000000000000,  0.0000244200000000, -0.0068904800000000 ]  - [   0.0000000000000000, -0.0000230900000000, -0.0069019400000000 ]  - [   0.0000000000000000, -0.0000244200000000, -0.0068904800000000 ]  - [   0.0000000000000000, -0.0041243900000000,  0.0027691800000000 ]  - [   0.0000000000000000, -0.0018388700000000,  0.0030800100000000 ]  - [   0.0000000000000000,  0.0041243900000000,  0.0027691800000000 ]  - [   0.0000000000000000,  0.0018388700000000,  0.0030800100000000 ]  - [   0.0000004000000000,  0.0000000000000000, -0.0013151500000000 ]  - [  -0.0000004000000000,  0.0000000000000000, -0.0013151500000000 ]  - [  -0.0000014400000000,  0.0000000000000000, -0.0013083200000000 ]  - [   0.0000014400000000,  0.0000000000000000, -0.0013083200000000 ]  - [   0.0000040800000000,  0.0000000000000000, -0.0019085800000000 ]  - [  -0.0000040800000000,  0.0000000000000000, -0.0019085800000000 ]  - [   0.0000011000000000,  0.0000000000000000, -0.0016681700000000 ]  - [  -0.0000011000000000,  0.0000000000000000, -0.0016681700000000 ]  - [   0.0000000000000000, -0.0003691700000000, -0.0004561200000000 ]  - [   0.0000000000000000, -0.0005036900000000, -0.0002579500000000 ]  - [   0.0000000000000000,  0.0003691700000000, -0.0004561200000000 ]  - [   0.0000000000000000,  0.0005036900000000, -0.0002579500000000 ]  - [   0.0000002200000000,  0.0000000000000000, -0.0001940600000000 ]  - [  -0.0000002200000000,  0.0000000000000000, -0.0001940600000000 ]  - [   0.0000003400000000,  0.0000000000000000, -0.0001869700000000 ]  - [  -0.0000003400000000,  0.0000000000000000, -0.0001869700000000 ]  - [   0.0000000000000000,  0.0042764500000000,  0.0014722600000000 ]  - [   0.0000000000000000,  0.0018399600000000,  0.0019138100000000 ]  - [   0.0000000000000000, -0.0042764500000000,  0.0014722600000000 ]  - [   0.0000000000000000, -0.0018399600000000,  0.0019138100000000 ]  - [   0.0000000000000000,  0.0003684000000000, -0.0019597300000000 ]  - [   0.0000000000000000,  0.0004982600000000, -0.0017664300000000 ]  - [   0.0000000000000000, -0.0003684000000000, -0.0019597300000000 ]  - [   0.0000000000000000, -0.0004982600000000, -0.0017664300000000 ]  - [  -0.0000023900000000,  0.0000000000000000, -0.0004002500000000 ]  - [   0.0000023900000000,  0.0000000000000000, -0.0004002500000000 ]  - [  -0.0000024000000000,  0.0000000000000000, -0.0001643500000000 ]  - [   0.0000024000000000,  0.0000000000000000, -0.0001643500000000 ]- atom:   21  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0041367100000000, -0.0000502800000000,  0.0020351300000000 ]  - [   0.0017638400000000,  0.0000058000000000,  0.0020741200000000 ]  - [  -0.0041367100000000,  0.0000502800000000,  0.0020351300000000 ]  - [   0.0017638400000000, -0.0000058000000000,  0.0020741200000000 ]  - [   0.0000214800000000, -0.0000090900000000, -0.0004334400000000 ]  - [   0.0000265300000000,  0.0000077700000000, -0.0008117000000000 ]  - [   0.0000214800000000,  0.0000090900000000, -0.0004334400000000 ]  - [   0.0000265300000000, -0.0000077700000000, -0.0008117000000000 ]  - [   0.0018551500000000,  0.0000000000000000,  0.0005640200000000 ]  - [   0.0031834700000000,  0.0000000000000000,  0.0006512900000000 ]  - [  -0.0002117200000000,  0.0000000000000000,  0.0006177900000000 ]  - [   0.0003600800000000,  0.0000000000000000,  0.0006332300000000 ]  - [   0.0135724300000000,  0.0000000000000000, -0.0147745500000000 ]  - [   0.0135037600000000,  0.0000000000000000,  0.0145570300000000 ]  - [  -0.0000530400000000,  0.0000000000000000, -0.0008478000000000 ]  - [  -0.0000251500000000,  0.0000000000000000,  0.0008292200000000 ]  - [  -0.0041803500000000, -0.0000568800000000,  0.0000341900000000 ]  - [   0.0018929400000000,  0.0000058200000000, -0.0000079300000000 ]  - [  -0.0041803500000000,  0.0000568800000000,  0.0000341900000000 ]  - [   0.0018929400000000, -0.0000058200000000, -0.0000079300000000 ]  - [  -0.0545209300000000,  0.0000000000000000,  0.0001492700000000 ]  - [   0.0044730900000000,  0.0000000000000000,  0.0001743600000000 ]  - [  -0.0019701200000000,  0.0000000000000000,  0.0001729800000000 ]  - [   0.0036401200000000,  0.0000000000000000,  0.0001731000000000 ]  - [   0.0000021000000000, -0.0000004300000000, -0.0001480900000000 ]  - [   0.0000022000000000,  0.0000004900000000, -0.0002003900000000 ]  - [   0.0000021000000000,  0.0000004300000000, -0.0001480900000000 ]  - [   0.0000022000000000, -0.0000004900000000, -0.0002003900000000 ]  - [   0.0131650300000000,  0.0000000000000000,  0.0166886600000000 ]  - [   0.0130909500000000,  0.0000000000000000, -0.0123318000000000 ]  - [  -0.0000350400000000,  0.0000000000000000,  0.0028009200000000 ]  - [  -0.0000069400000000,  0.0000000000000000,  0.0013491500000000 ]  - [  -0.0000398200000000, -0.0000007900000000, -0.0020678400000000 ]  - [   0.0000449000000000,  0.0000001900000000, -0.0020668600000000 ]  - [  -0.0000398200000000,  0.0000007900000000, -0.0020678400000000 ]  - [   0.0000449000000000, -0.0000001900000000, -0.0020668600000000 ]  - [  -0.0000156900000000,  0.0000000000000000, -0.0020542600000000 ]  - [  -0.0000128700000000,  0.0000000000000000, -0.0020806800000000 ]  - [  -0.0000018400000000,  0.0000000000000000, -0.0020502900000000 ]  - [  -0.0000012500000000,  0.0000000000000000, -0.0020841200000000 ]  - [  -0.0000009300000000,  0.0000000000000000,  0.0020680100000000 ]  - [  -0.0000006300000000,  0.0000000000000000,  0.0020671000000000 ]  - [  -0.0000001800000000,  0.0000000000000000,  0.0020674000000000 ]  - [  -0.0000000300000000,  0.0000000000000000,  0.0020673800000000 ]  - [   0.0001014200000000,  0.0000000000000000, -0.0006168900000000 ]  - [   0.0001145000000000,  0.0000000000000000, -0.0006277300000000 ]  - [  -0.0000132200000000,  0.0000000000000000, -0.0006227000000000 ]  - [   0.0000200600000000,  0.0000000000000000, -0.0006270500000000 ]  - [   0.0000014600000000,  0.0000002600000000,  0.0006202200000000 ]  - [   0.0000021900000000, -0.0000006600000000,  0.0006281200000000 ]  - [   0.0000014600000000, -0.0000002600000000,  0.0006202200000000 ]  - [   0.0000021900000000,  0.0000006600000000,  0.0006281200000000 ]  - [  -0.0000045300000000, -0.0000000500000000,  0.0000003800000000 ]  - [   0.0000060600000000,  0.0000000300000000,  0.0000001700000000 ]  - [  -0.0000045300000000,  0.0000000500000000,  0.0000003800000000 ]  - [   0.0000060600000000, -0.0000000300000000,  0.0000001700000000 ]  - [   0.0000000600000000,  0.0000000000000000,  0.0000027900000000 ]  - [   0.0000002000000000,  0.0000000000000000, -0.0000019900000000 ]  - [   0.0000000800000000,  0.0000000000000000,  0.0000026100000000 ]  - [   0.0000000300000000,  0.0000000000000000, -0.0000023300000000 ]  - [   0.0000007900000000,  0.0000000300000000,  0.0001785500000000 ]  - [   0.0000007500000000,  0.0000000000000000,  0.0001715500000000 ]  - [   0.0000007900000000, -0.0000000300000000,  0.0001785500000000 ]  - [   0.0000007500000000,  0.0000000000000000,  0.0001715500000000 ]  - [   0.0013555700000000,  0.0000000000000000, -0.0000965400000000 ]  - [   0.0029654700000000,  0.0000000000000000, -0.0002106700000000 ]  - [  -0.0001282400000000,  0.0000000000000000, -0.0001677500000000 ]  - [   0.0002739700000000,  0.0000000000000000, -0.0001866000000000 ]  - [  -0.0000003600000000, -0.0000002300000000,  0.0020674200000000 ]  - [   0.0000017600000000, -0.0000000400000000,  0.0020673100000000 ]  - [  -0.0000003600000000,  0.0000002300000000,  0.0020674200000000 ]  - [   0.0000017600000000,  0.0000000400000000,  0.0020673100000000 ]  - [   0.0002212300000000,  0.0000000000000000, -0.0021578000000000 ]  - [   0.0002424800000000,  0.0000000000000000, -0.0019797000000000 ]  - [  -0.0000010800000000,  0.0000000000000000, -0.0021737600000000 ]  - [   0.0000071300000000,  0.0000000000000000, -0.0019641300000000 ]  - [  -0.0001039000000000, -0.0000033300000000, -0.0020645500000000 ]  - [   0.0000614900000000,  0.0000006000000000, -0.0020702600000000 ]  - [  -0.0001039000000000,  0.0000033300000000, -0.0020645500000000 ]  - [   0.0000614900000000, -0.0000006000000000, -0.0020702600000000 ]  - [   0.0159367300000000,  0.0000000000000000,  0.0001162100000000 ]  - [  -0.0169615800000000,  0.0000000000000000,  0.0000351300000000 ]  - [   0.0016289000000000,  0.0000000000000000,  0.0000114200000000 ]  - [  -0.0015022000000000,  0.0000000000000000,  0.0000244000000000 ]  - [  -0.0000013100000000,  0.0000033600000000,  0.0047259700000000 ]  - [  -0.0000047800000000, -0.0000016100000000,  0.0049220000000000 ]  - [  -0.0000013100000000, -0.0000033600000000,  0.0047259700000000 ]  - [  -0.0000047800000000,  0.0000016100000000,  0.0049220000000000 ]  - [   0.0143698700000000,  0.0000000000000000, -0.0049254900000000 ]  - [  -0.0161057100000000,  0.0000000000000000, -0.0048564100000000 ]  - [   0.0014922700000000,  0.0000000000000000, -0.0048335100000000 ]  - [  -0.0014008800000000,  0.0000000000000000, -0.0048457300000000 ]  - [  -0.0000001500000000,  0.0000001800000000, -0.0000107000000000 ]  - [  -0.0000009500000000,  0.0000003900000000,  0.0000109400000000 ]  - [  -0.0000001500000000, -0.0000001800000000, -0.0000107000000000 ]  - [  -0.0000009500000000, -0.0000003900000000,  0.0000109400000000 ]  - [   0.0001511000000000,  0.0000000000000000,  0.0047965200000000 ]  - [  -0.0003808900000000,  0.0000000000000000,  0.0048463500000000 ]  - [   0.0001507400000000,  0.0000000000000000,  0.0048194700000000 ]  - [  -0.0001557300000000,  0.0000000000000000,  0.0048333500000000 ]  - [  -0.0000004100000000,  0.0000003200000000, -0.0048249400000000 ]  - [  -0.0000009000000000, -0.0000001000000000, -0.0048260500000000 ]  - [  -0.0000004100000000, -0.0000003200000000, -0.0048249400000000 ]  - [  -0.0000009000000000,  0.0000001000000000, -0.0048260500000000 ]  - [  -0.0008756200000000, -0.0042916200000000,  0.0006183500000000 ]  - [  -0.0010364600000000,  0.0044200000000000,  0.0005052300000000 ]  - [  -0.0008756200000000,  0.0042916200000000,  0.0006183500000000 ]  - [  -0.0010364600000000, -0.0044200000000000,  0.0005052300000000 ]  - [   0.0000094200000000,  0.0000000000000000, -0.0005606300000000 ]  - [  -0.0000084800000000,  0.0000000000000000, -0.0005604200000000 ]  - [   0.0000085100000000,  0.0000000000000000, -0.0005614700000000 ]  - [  -0.0000082800000000,  0.0000000000000000, -0.0005614300000000 ]  - [   0.0001512700000000,  0.0000000000000000, -0.0007482800000000 ]  - [  -0.0000472000000000,  0.0000000000000000, -0.0007605400000000 ]  - [   0.0000688900000000,  0.0000000000000000, -0.0007521500000000 ]  - [  -0.0000667700000000,  0.0000000000000000, -0.0007565200000000 ]  - [   0.0000790900000000, -0.0008213800000000, -0.0000988200000000 ]  - [   0.0000517900000000,  0.0008197600000000,  0.0015957600000000 ]  - [   0.0000790900000000,  0.0008213800000000, -0.0000988200000000 ]  - [   0.0000517900000000, -0.0008197600000000,  0.0015957600000000 ]  - [   0.0000020400000000,  0.0000000000000000,  0.0005616600000000 ]  - [  -0.0000020600000000,  0.0000000000000000,  0.0005603600000000 ]  - [   0.0000025000000000,  0.0000000000000000,  0.0005613600000000 ]  - [  -0.0000023000000000,  0.0000000000000000,  0.0005600600000000 ]  - [   0.0001043000000000, -0.0007460700000000,  0.0002297500000000 ]  - [   0.0000789600000000,  0.0007460400000000, -0.0013439100000000 ]  - [   0.0001043000000000,  0.0007460700000000,  0.0002297500000000 ]  - [   0.0000789600000000, -0.0007460400000000, -0.0013439100000000 ]  - [   0.0000028800000000,  0.0000005000000000, -0.0007336100000000 ]  - [  -0.0000009500000000,  0.0000001500000000, -0.0007758100000000 ]  - [   0.0000028800000000, -0.0000005000000000, -0.0007336100000000 ]  - [  -0.0000009500000000, -0.0000001500000000, -0.0007758100000000 ]  - [   0.0000056100000000,  0.0000000000000000,  0.0007542000000000 ]  - [   0.0000000100000000,  0.0000000000000000,  0.0007550600000000 ]  - [   0.0000017100000000,  0.0000000000000000,  0.0007540600000000 ]  - [  -0.0000014900000000,  0.0000000000000000,  0.0007553200000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0261261200000000,  0.0096064000000000 ]  - [   0.0000000000000000,  0.0032970800000000, -0.0023565600000000 ]  - [   0.0000000000000000, -0.0261261200000000,  0.0096064000000000 ]  - [   0.0000000000000000, -0.0032970800000000, -0.0023565600000000 ]  - [   0.0006302600000000,  0.0006302600000000,  0.0033567200000000 ]  - [  -0.0006302600000000,  0.0006302600000000,  0.0033567200000000 ]  - [   0.0006302600000000, -0.0006302600000000,  0.0033567200000000 ]  - [  -0.0006302600000000, -0.0006302600000000,  0.0033567200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0276571700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019690500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019690500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018197500000000 ]  - [  -0.0263868600000000,  0.0000000000000000,  0.0073713300000000 ]  - [   0.0263868600000000,  0.0000000000000000,  0.0073713300000000 ]  - [  -0.0032484800000000,  0.0000000000000000, -0.0043515700000000 ]  - [   0.0032484800000000,  0.0000000000000000, -0.0043515700000000 ]  - [   0.0000000000000000, -0.0263868600000000,  0.0073713300000000 ]  - [   0.0000000000000000, -0.0032484800000000, -0.0043515700000000 ]  - [   0.0000000000000000,  0.0263868600000000,  0.0073713300000000 ]  - [   0.0000000000000000,  0.0032484800000000, -0.0043515700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2016638700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0250224100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0250224100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0148227100000000 ]  - [   0.0000265400000000,  0.0000265400000000,  0.0046936800000000 ]  - [  -0.0000265400000000,  0.0000265400000000,  0.0046936800000000 ]  - [   0.0000265400000000, -0.0000265400000000,  0.0046936800000000 ]  - [  -0.0000265400000000, -0.0000265400000000,  0.0046936800000000 ]  - [   0.0261261200000000,  0.0000000000000000,  0.0096064000000000 ]  - [  -0.0261261200000000,  0.0000000000000000,  0.0096064000000000 ]  - [   0.0032970800000000,  0.0000000000000000, -0.0023565600000000 ]  - [  -0.0032970800000000,  0.0000000000000000, -0.0023565600000000 ]  - [   0.0000000000000000,  0.0003298500000000, -0.0002493500000000 ]  - [   0.0000000000000000,  0.0001096800000000, -0.0004836800000000 ]  - [   0.0000000000000000, -0.0003298500000000, -0.0002493500000000 ]  - [   0.0000000000000000, -0.0001096800000000, -0.0004836800000000 ]  - [   0.0003298500000000,  0.0000000000000000, -0.0002493500000000 ]  - [  -0.0003298500000000,  0.0000000000000000, -0.0002493500000000 ]  - [   0.0001096800000000,  0.0000000000000000, -0.0004836800000000 ]  - [  -0.0001096800000000,  0.0000000000000000, -0.0004836800000000 ]  - [  -0.0000421700000000,  0.0000000000000000,  0.0037789500000000 ]  - [   0.0000421700000000,  0.0000000000000000,  0.0037789500000000 ]  - [  -0.0000209200000000,  0.0000000000000000,  0.0037451800000000 ]  - [   0.0000209200000000,  0.0000000000000000,  0.0037451800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0061937100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032698800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032698800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022774100000000 ]  - [  -0.0000922500000000, -0.0000922500000000,  0.0048347400000000 ]  - [   0.0000922500000000, -0.0000922500000000,  0.0048347400000000 ]  - [  -0.0000922500000000,  0.0000922500000000,  0.0048347400000000 ]  - [   0.0000922500000000,  0.0000922500000000,  0.0048347400000000 ]  - [   0.0000000000000000,  0.0000011400000000,  0.0016939400000000 ]  - [   0.0000000000000000,  0.0000025700000000,  0.0016893500000000 ]  - [   0.0000000000000000, -0.0000011400000000,  0.0016939400000000 ]  - [   0.0000000000000000, -0.0000025700000000,  0.0016893500000000 ]  - [   0.0000011400000000,  0.0000000000000000,  0.0016939400000000 ]  - [  -0.0000011400000000,  0.0000000000000000,  0.0016939400000000 ]  - [   0.0000025700000000,  0.0000000000000000,  0.0016893500000000 ]  - [  -0.0000025700000000,  0.0000000000000000,  0.0016893500000000 ]  - [  -0.0000031000000000, -0.0000031000000000,  0.0050547200000000 ]  - [   0.0000031000000000, -0.0000031000000000,  0.0050547200000000 ]  - [  -0.0000031000000000,  0.0000031000000000,  0.0050547200000000 ]  - [   0.0000031000000000,  0.0000031000000000,  0.0050547200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0306662400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014800800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014800800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034505800000000 ]  - [   0.0000000000000000, -0.0000421700000000,  0.0037789500000000 ]  - [   0.0000000000000000, -0.0000209200000000,  0.0037451800000000 ]  - [   0.0000000000000000,  0.0000421700000000,  0.0037789500000000 ]  - [   0.0000000000000000,  0.0000209200000000,  0.0037451800000000 ]  - [  -0.0019211600000000,  0.0000000000000000,  0.0002704300000000 ]  - [   0.0019211600000000,  0.0000000000000000,  0.0002704300000000 ]  - [  -0.0009584700000000,  0.0000000000000000, -0.0012148900000000 ]  - [   0.0009584700000000,  0.0000000000000000, -0.0012148900000000 ]  - [   0.0000000000000000, -0.0019211600000000,  0.0002704300000000 ]  - [   0.0000000000000000, -0.0009584700000000, -0.0012148900000000 ]  - [   0.0000000000000000,  0.0019211600000000,  0.0002704300000000 ]  - [   0.0000000000000000,  0.0009584700000000, -0.0012148900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0267186000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0170710500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0170710500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0130369800000000 ]  - [  -0.0002531100000000, -0.0002531100000000, -0.0010699800000000 ]  - [   0.0002531100000000, -0.0002531100000000, -0.0010699800000000 ]  - [  -0.0002531100000000,  0.0002531100000000, -0.0010699800000000 ]  - [   0.0002531100000000,  0.0002531100000000, -0.0010699800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0121340000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0123361300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0123361300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079428100000000 ]  - [  -0.0000042700000000, -0.0000042700000000, -0.0061519800000000 ]  - [   0.0000042700000000, -0.0000042700000000, -0.0061519800000000 ]  - [  -0.0000042700000000,  0.0000042700000000, -0.0061519800000000 ]  - [   0.0000042700000000,  0.0000042700000000, -0.0061519800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0093016700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000544300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000544300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038142100000000 ]  - [   0.0000365100000000,  0.0000365100000000, -0.0107882600000000 ]  - [  -0.0000365100000000,  0.0000365100000000, -0.0107882600000000 ]  - [   0.0000365100000000, -0.0000365100000000, -0.0107882600000000 ]  - [  -0.0000365100000000, -0.0000365100000000, -0.0107882600000000 ]  - [  -0.0000809800000000, -0.0000809800000000,  0.0163925900000000 ]  - [   0.0000809800000000, -0.0000809800000000,  0.0163925900000000 ]  - [  -0.0000809800000000,  0.0000809800000000,  0.0163925900000000 ]  - [   0.0000809800000000,  0.0000809800000000,  0.0163925900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028426700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027321600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027321600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026698600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058274200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033648400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033648400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020688200000000 ]  - [  -0.0032474200000000, -0.0032474200000000, -0.0008016600000000 ]  - [   0.0032474200000000, -0.0032474200000000, -0.0008016600000000 ]  - [  -0.0032474200000000,  0.0032474200000000, -0.0008016600000000 ]  - [   0.0032474200000000,  0.0032474200000000, -0.0008016600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016252500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016108700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016108700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016008000000000 ]  - [   0.0027838400000000,  0.0027838400000000, -0.0015771500000000 ]  - [  -0.0027838400000000,  0.0027838400000000, -0.0015771500000000 ]  - [   0.0027838400000000, -0.0027838400000000, -0.0015771500000000 ]  - [  -0.0027838400000000, -0.0027838400000000, -0.0015771500000000 ]  - [   0.0004983400000000,  0.0004983400000000, -0.0036441700000000 ]  - [  -0.0004983400000000,  0.0004983400000000, -0.0036441700000000 ]  - [   0.0004983400000000, -0.0004983400000000, -0.0036441700000000 ]  - [  -0.0004983400000000, -0.0004983400000000, -0.0036441700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025242500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021830200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021830200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019531600000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0258614400000000, -0.0055291700000000 ]  - [   0.0000000000000000, -0.0032757700000000,  0.0064419300000000 ]  - [   0.0000000000000000,  0.0258614400000000, -0.0055291700000000 ]  - [   0.0000000000000000,  0.0032757700000000,  0.0064419300000000 ]  - [  -0.0006229100000000, -0.0006229100000000, -0.0046089100000000 ]  - [   0.0006229100000000, -0.0006229100000000, -0.0046089100000000 ]  - [  -0.0006229100000000,  0.0006229100000000, -0.0046089100000000 ]  - [   0.0006229100000000,  0.0006229100000000, -0.0046089100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0259547600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007376500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007376500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030229400000000 ]  - [   0.0266393200000000,  0.0000000000000000, -0.0072934100000000 ]  - [  -0.0266393200000000,  0.0000000000000000, -0.0072934100000000 ]  - [   0.0032644300000000,  0.0000000000000000,  0.0043981700000000 ]  - [  -0.0032644300000000,  0.0000000000000000,  0.0043981700000000 ]  - [   0.0000000000000000,  0.0266393200000000, -0.0072934100000000 ]  - [   0.0000000000000000,  0.0032644300000000,  0.0043981700000000 ]  - [   0.0000000000000000, -0.0266393200000000, -0.0072934100000000 ]  - [   0.0000000000000000, -0.0032644300000000,  0.0043981700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2028435700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0253661900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0253661900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0151674600000000 ]  - [  -0.0000259900000000, -0.0000259900000000, -0.0050406600000000 ]  - [   0.0000259900000000, -0.0000259900000000, -0.0050406600000000 ]  - [  -0.0000259900000000,  0.0000259900000000, -0.0050406600000000 ]  - [   0.0000259900000000,  0.0000259900000000, -0.0050406600000000 ]  - [  -0.0258614400000000,  0.0000000000000000, -0.0055291700000000 ]  - [   0.0258614400000000,  0.0000000000000000, -0.0055291700000000 ]  - [  -0.0032757700000000,  0.0000000000000000,  0.0064419300000000 ]  - [   0.0032757700000000,  0.0000000000000000,  0.0064419300000000 ]  - [   0.0000000000000000, -0.0003257900000000, -0.0038833400000000 ]  - [   0.0000000000000000, -0.0001086700000000, -0.0036515300000000 ]  - [   0.0000000000000000,  0.0003257900000000, -0.0038833400000000 ]  - [   0.0000000000000000,  0.0001086700000000, -0.0036515300000000 ]  - [  -0.0003257900000000,  0.0000000000000000, -0.0038833400000000 ]  - [   0.0003257900000000,  0.0000000000000000, -0.0038833400000000 ]  - [  -0.0001086700000000,  0.0000000000000000, -0.0036515300000000 ]  - [   0.0001086700000000,  0.0000000000000000, -0.0036515300000000 ]  - [   0.0000423000000000,  0.0000000000000000,  0.0003570800000000 ]  - [  -0.0000423000000000,  0.0000000000000000,  0.0003570800000000 ]  - [   0.0000211100000000,  0.0000000000000000,  0.0003913100000000 ]  - [  -0.0000211100000000,  0.0000000000000000,  0.0003913100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074718500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045148600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045148600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035113000000000 ]  - [   0.0000930600000000,  0.0000930600000000, -0.0035828200000000 ]  - [  -0.0000930600000000,  0.0000930600000000, -0.0035828200000000 ]  - [   0.0000930600000000, -0.0000930600000000, -0.0035828200000000 ]  - [  -0.0000930600000000, -0.0000930600000000, -0.0035828200000000 ]  - [   0.0000000000000000, -0.0000009600000000, -0.0016922700000000 ]  - [   0.0000000000000000, -0.0000021600000000, -0.0016880700000000 ]  - [   0.0000000000000000,  0.0000009600000000, -0.0016922700000000 ]  - [   0.0000000000000000,  0.0000021600000000, -0.0016880700000000 ]  - [  -0.0000009600000000,  0.0000000000000000, -0.0016922700000000 ]  - [   0.0000009600000000,  0.0000000000000000, -0.0016922700000000 ]  - [  -0.0000021600000000,  0.0000000000000000, -0.0016880700000000 ]  - [   0.0000021600000000,  0.0000000000000000, -0.0016880700000000 ]  - [   0.0000033600000000,  0.0000033600000000, -0.0047019100000000 ]  - [  -0.0000033600000000,  0.0000033600000000, -0.0047019100000000 ]  - [   0.0000033600000000, -0.0000033600000000, -0.0047019100000000 ]  - [  -0.0000033600000000, -0.0000033600000000, -0.0047019100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0314976700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017923300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017923300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031591000000000 ]  - [   0.0000000000000000,  0.0000423000000000,  0.0003570800000000 ]  - [   0.0000000000000000,  0.0000211100000000,  0.0003913100000000 ]  - [   0.0000000000000000, -0.0000423000000000,  0.0003570800000000 ]  - [   0.0000000000000000, -0.0000211100000000,  0.0003913100000000 ]  - [   0.0019481500000000,  0.0000000000000000, -0.0044115900000000 ]  - [  -0.0019481500000000,  0.0000000000000000, -0.0044115900000000 ]  - [   0.0009678500000000,  0.0000000000000000, -0.0029089800000000 ]  - [  -0.0009678500000000,  0.0000000000000000, -0.0029089800000000 ]  - [   0.0000000000000000,  0.0019481500000000, -0.0044115900000000 ]  - [   0.0000000000000000,  0.0009678500000000, -0.0029089800000000 ]  - [   0.0000000000000000, -0.0019481500000000, -0.0044115900000000 ]  - [   0.0000000000000000, -0.0009678500000000, -0.0029089800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0321398100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0171458000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0171458000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0131390700000000 ]  - [   0.0002501700000000,  0.0002501700000000,  0.0107218500000000 ]  - [  -0.0002501700000000,  0.0002501700000000,  0.0107218500000000 ]  - [   0.0002501700000000, -0.0002501700000000,  0.0107218500000000 ]  - [  -0.0002501700000000, -0.0002501700000000,  0.0107218500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0173232300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0219109000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0219109000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0174838600000000 ]  - [   0.0000038200000000,  0.0000038200000000,  0.0061463400000000 ]  - [  -0.0000038200000000,  0.0000038200000000,  0.0061463400000000 ]  - [   0.0000038200000000, -0.0000038200000000,  0.0061463400000000 ]  - [  -0.0000038200000000, -0.0000038200000000,  0.0061463400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0190714100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0095738300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0095738300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057908700000000 ]  - [  -0.0000369200000000, -0.0000369200000000,  0.0011314400000000 ]  - [   0.0000369200000000, -0.0000369200000000,  0.0011314400000000 ]  - [  -0.0000369200000000,  0.0000369200000000,  0.0011314400000000 ]  - [   0.0000369200000000,  0.0000369200000000,  0.0011314400000000 ]  - [   0.0002570200000000,  0.0002570200000000, -0.0152654700000000 ]  - [  -0.0002570200000000,  0.0002570200000000, -0.0152654700000000 ]  - [   0.0002570200000000, -0.0002570200000000, -0.0152654700000000 ]  - [  -0.0002570200000000, -0.0002570200000000, -0.0152654700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017170000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016096700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016096700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015483600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042890800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018578200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018578200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005740300000000 ]  - [   0.0032189500000000,  0.0032189500000000,  0.0023435500000000 ]  - [  -0.0032189500000000,  0.0032189500000000,  0.0023435500000000 ]  - [   0.0032189500000000, -0.0032189500000000,  0.0023435500000000 ]  - [  -0.0032189500000000, -0.0032189500000000,  0.0023435500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027478800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027312700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027312700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027190800000000 ]  - [  -0.0028051700000000, -0.0028051700000000,  0.0004251100000000 ]  - [   0.0028051700000000, -0.0028051700000000,  0.0004251100000000 ]  - [  -0.0028051700000000,  0.0028051700000000,  0.0004251100000000 ]  - [   0.0028051700000000,  0.0028051700000000,  0.0004251100000000 ]  - [  -0.0005032400000000, -0.0005032400000000,  0.0021312600000000 ]  - [   0.0005032400000000, -0.0005032400000000,  0.0021312600000000 ]  - [  -0.0005032400000000,  0.0005032400000000,  0.0021312600000000 ]  - [   0.0005032400000000,  0.0005032400000000,  0.0021312600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040350500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036910400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036910400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0034594300000000 ]- atom:   81  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007915300000000,  0.0000099300000000,  0.0020759700000000 ]  - [  -0.0007449300000000,  0.0000005600000000,  0.0020601000000000 ]  - [   0.0007915300000000, -0.0000099300000000,  0.0020759700000000 ]  - [  -0.0007449300000000, -0.0000005600000000,  0.0020601000000000 ]  - [  -0.0000031400000000, -0.0000011000000000, -0.0006445400000000 ]  - [  -0.0000031700000000,  0.0000012100000000, -0.0006009700000000 ]  - [  -0.0000031400000000,  0.0000011000000000, -0.0006445400000000 ]  - [  -0.0000031700000000, -0.0000012100000000, -0.0006009700000000 ]  - [   0.0001453400000000,  0.0000000000000000,  0.0006191600000000 ]  - [  -0.0004088200000000,  0.0000000000000000,  0.0006233400000000 ]  - [   0.0001541000000000,  0.0000000000000000,  0.0006264300000000 ]  - [  -0.0001657900000000,  0.0000000000000000,  0.0006189600000000 ]  - [   0.0053166700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000532800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0006577500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007658000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0151777800000000, -0.0003107800000000,  0.0000000000000000 ]  - [  -0.0171205000000000, -0.0000327300000000,  0.0000000000000000 ]  - [   0.0151777800000000,  0.0003107800000000,  0.0000000000000000 ]  - [  -0.0171205000000000,  0.0000327300000000,  0.0000000000000000 ]  - [   0.0159390500000000,  0.0000000000000000, -0.0001300800000000 ]  - [  -0.0169600200000000,  0.0000000000000000,  0.0001447700000000 ]  - [   0.0016271400000000,  0.0000000000000000,  0.0002000000000000 ]  - [  -0.0015014900000000,  0.0000000000000000,  0.0001711700000000 ]  - [  -0.0000013900000000, -0.0000000100000000, -0.0001776900000000 ]  - [  -0.0000015400000000,  0.0000002700000000, -0.0001725100000000 ]  - [  -0.0000013900000000,  0.0000000100000000, -0.0001776900000000 ]  - [  -0.0000015400000000, -0.0000002700000000, -0.0001725100000000 ]  - [  -0.0003092800000000,  0.0000000000000000,  0.0019488600000000 ]  - [  -0.0003636400000000,  0.0000000000000000,  0.0022145000000000 ]  - [   0.0000050200000000,  0.0000000000000000,  0.0009907700000000 ]  - [  -0.0000075600000000,  0.0000000000000000,  0.0031308500000000 ]  - [   0.0000031500000000, -0.0000000900000000, -0.0020672400000000 ]  - [  -0.0000055700000000,  0.0000001400000000, -0.0020671900000000 ]  - [   0.0000031500000000,  0.0000000900000000, -0.0020672400000000 ]  - [  -0.0000055700000000, -0.0000001400000000, -0.0020671900000000 ]  - [   0.0000006500000000,  0.0000000000000000, -0.0020691300000000 ]  - [   0.0000008800000000,  0.0000000000000000, -0.0020652700000000 ]  - [  -0.0000001100000000,  0.0000000000000000, -0.0020695500000000 ]  - [  -0.0000004100000000,  0.0000000000000000, -0.0020648300000000 ]  - [   0.0000006500000000,  0.0000000000000000,  0.0020691300000000 ]  - [   0.0000008800000000,  0.0000000000000000,  0.0020652700000000 ]  - [  -0.0000001100000000,  0.0000000000000000,  0.0020695500000000 ]  - [  -0.0000004100000000,  0.0000000000000000,  0.0020648300000000 ]  - [   0.0001453400000000,  0.0000000000000000, -0.0006191600000000 ]  - [  -0.0004088200000000,  0.0000000000000000, -0.0006233400000000 ]  - [   0.0001541000000000,  0.0000000000000000, -0.0006264300000000 ]  - [  -0.0001657900000000,  0.0000000000000000, -0.0006189600000000 ]  - [  -0.0000031400000000, -0.0000011000000000,  0.0006445400000000 ]  - [  -0.0000031700000000,  0.0000012100000000,  0.0006009700000000 ]  - [  -0.0000031400000000,  0.0000011000000000,  0.0006445400000000 ]  - [  -0.0000031700000000, -0.0000012100000000,  0.0006009700000000 ]  - [   0.0000004700000000,  0.0000002000000000,  0.0000000000000000 ]  - [  -0.0000024900000000,  0.0000002000000000,  0.0000000000000000 ]  - [   0.0000004700000000, -0.0000002000000000,  0.0000000000000000 ]  - [  -0.0000024900000000, -0.0000002000000000,  0.0000000000000000 ]  - [  -0.0000004000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000006000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000003800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000006500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000013900000000, -0.0000000100000000,  0.0001776900000000 ]  - [  -0.0000015400000000,  0.0000002700000000,  0.0001725100000000 ]  - [  -0.0000013900000000,  0.0000000100000000,  0.0001776900000000 ]  - [  -0.0000015400000000, -0.0000002700000000,  0.0001725100000000 ]  - [   0.0159390500000000,  0.0000000000000000,  0.0001300800000000 ]  - [  -0.0169600200000000,  0.0000000000000000, -0.0001447700000000 ]  - [   0.0016271400000000,  0.0000000000000000, -0.0002000000000000 ]  - [  -0.0015014900000000,  0.0000000000000000, -0.0001711700000000 ]  - [   0.0000031500000000, -0.0000000900000000,  0.0020672400000000 ]  - [  -0.0000055700000000,  0.0000001400000000,  0.0020671900000000 ]  - [   0.0000031500000000,  0.0000000900000000,  0.0020672400000000 ]  - [  -0.0000055700000000, -0.0000001400000000,  0.0020671900000000 ]  - [  -0.0003092800000000,  0.0000000000000000, -0.0019488600000000 ]  - [  -0.0003636400000000,  0.0000000000000000, -0.0022145000000000 ]  - [   0.0000050200000000,  0.0000000000000000, -0.0009907700000000 ]  - [  -0.0000075600000000,  0.0000000000000000, -0.0031308500000000 ]  - [   0.0007915300000000,  0.0000099300000000, -0.0020759700000000 ]  - [  -0.0007449300000000,  0.0000005600000000, -0.0020601000000000 ]  - [   0.0007915300000000, -0.0000099300000000, -0.0020759700000000 ]  - [  -0.0007449300000000, -0.0000005600000000, -0.0020601000000000 ]  - [  -0.1821781500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.1527174200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0024904900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0032431900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000005300000000,  0.0000006300000000,  0.0048334300000000 ]  - [   0.0000003800000000, -0.0000005000000000,  0.0048177800000000 ]  - [   0.0000005300000000, -0.0000006300000000,  0.0048334300000000 ]  - [   0.0000003800000000,  0.0000005000000000,  0.0048177800000000 ]  - [  -0.0013767900000000,  0.0000000000000000, -0.0049192000000000 ]  - [   0.0015898700000000,  0.0000000000000000, -0.0047894900000000 ]  - [  -0.0015459000000000,  0.0000000000000000, -0.0048391400000000 ]  - [   0.0016036300000000,  0.0000000000000000, -0.0048178900000000 ]  - [  -0.0000000200000000, -0.0000001300000000,  0.0000000000000000 ]  - [   0.0000007500000000, -0.0000012800000000,  0.0000000000000000 ]  - [  -0.0000000200000000,  0.0000001300000000,  0.0000000000000000 ]  - [   0.0000007500000000,  0.0000012800000000,  0.0000000000000000 ]  - [  -0.0013767900000000,  0.0000000000000000,  0.0049192000000000 ]  - [   0.0015898700000000,  0.0000000000000000,  0.0047894900000000 ]  - [  -0.0015459000000000,  0.0000000000000000,  0.0048391400000000 ]  - [   0.0016036300000000,  0.0000000000000000,  0.0048178900000000 ]  - [   0.0000005300000000,  0.0000006300000000, -0.0048334300000000 ]  - [   0.0000003800000000, -0.0000005000000000, -0.0048177800000000 ]  - [   0.0000005300000000, -0.0000006300000000, -0.0048334300000000 ]  - [   0.0000003800000000,  0.0000005000000000, -0.0048177800000000 ]  - [   0.0039447300000000,  0.0125201700000000,  0.0128248200000000 ]  - [   0.0039810400000000, -0.0123503100000000, -0.0115398800000000 ]  - [   0.0039447300000000, -0.0125201700000000,  0.0128248200000000 ]  - [   0.0039810400000000,  0.0123503100000000, -0.0115398800000000 ]  - [  -0.0000017600000000,  0.0000000000000000, -0.0005612100000000 ]  - [   0.0000005300000000,  0.0000000000000000, -0.0005608100000000 ]  - [  -0.0000025500000000,  0.0000000000000000, -0.0005609000000000 ]  - [   0.0000012000000000,  0.0000000000000000, -0.0005605800000000 ]  - [  -0.0000077300000000,  0.0000000000000000, -0.0007549300000000 ]  - [  -0.0000025000000000,  0.0000000000000000, -0.0007553900000000 ]  - [  -0.0000062300000000,  0.0000000000000000, -0.0007546900000000 ]  - [   0.0000048200000000,  0.0000000000000000, -0.0007531400000000 ]  - [  -0.0000036000000000, -0.0000667400000000,  0.0009389600000000 ]  - [  -0.0000009200000000,  0.0000624900000000,  0.0005695900000000 ]  - [  -0.0000036000000000,  0.0000667400000000,  0.0009389600000000 ]  - [  -0.0000009200000000, -0.0000624900000000,  0.0005695900000000 ]  - [  -0.0000017600000000,  0.0000000000000000,  0.0005612100000000 ]  - [   0.0000005300000000,  0.0000000000000000,  0.0005608100000000 ]  - [  -0.0000025500000000,  0.0000000000000000,  0.0005609000000000 ]  - [   0.0000012000000000,  0.0000000000000000,  0.0005605800000000 ]  - [   0.0039447300000000,  0.0125201700000000, -0.0128248200000000 ]  - [   0.0039810400000000, -0.0123503100000000,  0.0115398800000000 ]  - [   0.0039447300000000, -0.0125201700000000, -0.0128248200000000 ]  - [   0.0039810400000000,  0.0123503100000000,  0.0115398800000000 ]  - [  -0.0000036000000000, -0.0000667400000000, -0.0009389600000000 ]  - [  -0.0000009200000000,  0.0000624900000000, -0.0005695900000000 ]  - [  -0.0000036000000000,  0.0000667400000000, -0.0009389600000000 ]  - [  -0.0000009200000000, -0.0000624900000000, -0.0005695900000000 ]  - [  -0.0000077300000000,  0.0000000000000000,  0.0007549300000000 ]  - [  -0.0000025000000000,  0.0000000000000000,  0.0007553900000000 ]  - [  -0.0000062300000000,  0.0000000000000000,  0.0007546900000000 ]  - [   0.0000048200000000,  0.0000000000000000,  0.0007531400000000 ]- atom:   81  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0136506000000000, -0.0041321600000000 ]  - [   0.0000000000000000, -0.0024554000000000,  0.0035867300000000 ]  - [   0.0000000000000000,  0.0136506000000000, -0.0041321600000000 ]  - [   0.0000000000000000,  0.0024554000000000,  0.0035867300000000 ]  - [  -0.0002851400000000, -0.0002851400000000, -0.0059304000000000 ]  - [   0.0002851400000000, -0.0002851400000000, -0.0059304000000000 ]  - [  -0.0002851400000000,  0.0002851400000000, -0.0059304000000000 ]  - [   0.0002851400000000,  0.0002851400000000, -0.0059304000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0122319600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034698900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034698900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004898000000000 ]  - [  -0.0003378200000000,  0.0000000000000000,  0.0232359400000000 ]  - [   0.0003378200000000,  0.0000000000000000,  0.0232359400000000 ]  - [   0.0000197400000000,  0.0000000000000000,  0.0076473400000000 ]  - [  -0.0000197400000000,  0.0000000000000000,  0.0076473400000000 ]  - [   0.0000000000000000, -0.0003378200000000,  0.0232359400000000 ]  - [   0.0000000000000000,  0.0000197400000000,  0.0076473400000000 ]  - [   0.0000000000000000,  0.0003378200000000,  0.0232359400000000 ]  - [   0.0000000000000000, -0.0000197400000000,  0.0076473400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0323323200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0173430400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0173430400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0132747300000000 ]  - [  -0.0000111700000000, -0.0000111700000000, -0.0063213000000000 ]  - [   0.0000111700000000, -0.0000111700000000, -0.0063213000000000 ]  - [  -0.0000111700000000,  0.0000111700000000, -0.0063213000000000 ]  - [   0.0000111700000000,  0.0000111700000000, -0.0063213000000000 ]  - [  -0.0136506000000000,  0.0000000000000000, -0.0041321600000000 ]  - [   0.0136506000000000,  0.0000000000000000, -0.0041321600000000 ]  - [  -0.0024554000000000,  0.0000000000000000,  0.0035867300000000 ]  - [   0.0024554000000000,  0.0000000000000000,  0.0035867300000000 ]  - [   0.0000000000000000, -0.0001180500000000, -0.0042517900000000 ]  - [   0.0000000000000000, -0.0000656900000000, -0.0041490200000000 ]  - [   0.0000000000000000,  0.0001180500000000, -0.0042517900000000 ]  - [   0.0000000000000000,  0.0000656900000000, -0.0041490200000000 ]  - [  -0.0001180500000000,  0.0000000000000000, -0.0042517900000000 ]  - [   0.0001180500000000,  0.0000000000000000, -0.0042517900000000 ]  - [  -0.0000656900000000,  0.0000000000000000, -0.0041490200000000 ]  - [   0.0000656900000000,  0.0000000000000000, -0.0041490200000000 ]  - [   0.0001184800000000,  0.0000000000000000, -0.0001173900000000 ]  - [  -0.0001184800000000,  0.0000000000000000, -0.0001173900000000 ]  - [   0.0000658300000000,  0.0000000000000000, -0.0000145100000000 ]  - [  -0.0000658300000000,  0.0000000000000000, -0.0000145100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0135246100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047285900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047285900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017449000000000 ]  - [   0.0002855500000000,  0.0002855500000000, -0.0046789900000000 ]  - [  -0.0002855500000000,  0.0002855500000000, -0.0046789900000000 ]  - [   0.0002855500000000, -0.0002855500000000, -0.0046789900000000 ]  - [  -0.0002855500000000, -0.0002855500000000, -0.0046789900000000 ]  - [   0.0000000000000000,  0.0000001800000000, -0.0021300700000000 ]  - [   0.0000000000000000,  0.0000001700000000, -0.0021267300000000 ]  - [   0.0000000000000000, -0.0000001800000000, -0.0021300700000000 ]  - [   0.0000000000000000, -0.0000001700000000, -0.0021267300000000 ]  - [   0.0000001800000000,  0.0000000000000000, -0.0021300700000000 ]  - [  -0.0000001800000000,  0.0000000000000000, -0.0021300700000000 ]  - [   0.0000001700000000,  0.0000000000000000, -0.0021267300000000 ]  - [  -0.0000001700000000,  0.0000000000000000, -0.0021267300000000 ]  - [   0.0000114100000000,  0.0000114100000000, -0.0059713200000000 ]  - [  -0.0000114100000000,  0.0000114100000000, -0.0059713200000000 ]  - [   0.0000114100000000, -0.0000114100000000, -0.0059713200000000 ]  - [  -0.0000114100000000, -0.0000114100000000, -0.0059713200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0265410800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0168720800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0168720800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0128992900000000 ]  - [   0.0000000000000000,  0.0001184800000000, -0.0001173900000000 ]  - [   0.0000000000000000,  0.0000658300000000, -0.0000145100000000 ]  - [   0.0000000000000000, -0.0001184800000000, -0.0001173900000000 ]  - [   0.0000000000000000, -0.0000658300000000, -0.0000145100000000 ]  - [   0.0135840700000000,  0.0000000000000000, -0.0082097400000000 ]  - [  -0.0135840700000000,  0.0000000000000000, -0.0082097400000000 ]  - [   0.0024538300000000,  0.0000000000000000, -0.0005543200000000 ]  - [  -0.0024538300000000,  0.0000000000000000, -0.0005543200000000 ]  - [   0.0000000000000000,  0.0135840700000000, -0.0082097400000000 ]  - [   0.0000000000000000,  0.0024538300000000, -0.0005543200000000 ]  - [   0.0000000000000000, -0.0135840700000000, -0.0082097400000000 ]  - [   0.0000000000000000, -0.0024538300000000, -0.0005543200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2040849800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0268634000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0268634000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0216728700000000 ]  - [   0.0001074700000000,  0.0001074700000000,  0.0123414100000000 ]  - [  -0.0001074700000000,  0.0001074700000000,  0.0123414100000000 ]  - [   0.0001074700000000, -0.0001074700000000,  0.0123414100000000 ]  - [  -0.0001074700000000, -0.0001074700000000,  0.0123414100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0609441400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0116339000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0116339000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0108739900000000 ]  - [   0.0000012100000000,  0.0000012100000000,  0.0077466000000000 ]  - [  -0.0000012100000000,  0.0000012100000000,  0.0077466000000000 ]  - [   0.0000012100000000, -0.0000012100000000,  0.0077466000000000 ]  - [  -0.0000012100000000, -0.0000012100000000,  0.0077466000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0700943200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018805500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018805500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012044300000000 ]  - [  -0.0001083600000000, -0.0001083600000000,  0.0026861200000000 ]  - [   0.0001083600000000, -0.0001083600000000,  0.0026861200000000 ]  - [  -0.0001083600000000,  0.0001083600000000,  0.0026861200000000 ]  - [   0.0001083600000000,  0.0001083600000000,  0.0026861200000000 ]  - [   0.0137589200000000,  0.0137589200000000, -0.0040240700000000 ]  - [  -0.0137589200000000,  0.0137589200000000, -0.0040240700000000 ]  - [   0.0137589200000000, -0.0137589200000000, -0.0040240700000000 ]  - [  -0.0137589200000000, -0.0137589200000000, -0.0040240700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022150800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021713400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021713400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021408300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0039906700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029671100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029671100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021029800000000 ]  - [   0.0018082900000000,  0.0018082900000000,  0.0043071000000000 ]  - [  -0.0018082900000000,  0.0018082900000000,  0.0043071000000000 ]  - [   0.0018082900000000, -0.0018082900000000,  0.0043071000000000 ]  - [  -0.0018082900000000, -0.0018082900000000,  0.0043071000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033382300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032934900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032934900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032628400000000 ]  - [  -0.0136233100000000, -0.0136233100000000, -0.0051078700000000 ]  - [   0.0136233100000000, -0.0136233100000000, -0.0051078700000000 ]  - [  -0.0136233100000000,  0.0136233100000000, -0.0051078700000000 ]  - [   0.0136233100000000,  0.0136233100000000, -0.0051078700000000 ]  - [  -0.0018048100000000, -0.0018048100000000,  0.0027874300000000 ]  - [   0.0018048100000000, -0.0018048100000000,  0.0027874300000000 ]  - [  -0.0018048100000000,  0.0018048100000000,  0.0027874300000000 ]  - [   0.0018048100000000,  0.0018048100000000,  0.0027874300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055030900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044780600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044780600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036144100000000 ]- atom:   85  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000087900000000,  0.0000000000000000,  0.0018803200000000 ]  - [   0.0000110500000000,  0.0000000000000000,  0.0022521900000000 ]  - [   0.0000032600000000,  0.0000000000000000,  0.0019334000000000 ]  - [   0.0000038700000000,  0.0000000000000000,  0.0021994700000000 ]  - [   0.0189410500000000,  0.0000000000000000, -0.0003456400000000 ]  - [  -0.0190295400000000,  0.0000000000000000, -0.0006163800000000 ]  - [   0.0026392200000000,  0.0000000000000000, -0.0006498200000000 ]  - [  -0.0022872400000000,  0.0000000000000000, -0.0006254100000000 ]  - [  -0.0000439700000000,  0.0002608000000000, -0.0012920300000000 ]  - [  -0.0000354100000000, -0.0002666800000000,  0.0025489200000000 ]  - [  -0.0000439700000000, -0.0002608000000000, -0.0012920300000000 ]  - [  -0.0000354100000000,  0.0002666800000000,  0.0025489200000000 ]  - [   0.0000465900000000, -0.0000001700000000,  0.0000000500000000 ]  - [  -0.0000490300000000, -0.0000001700000000, -0.0000000500000000 ]  - [   0.0000465900000000,  0.0000001700000000,  0.0000000500000000 ]  - [  -0.0000490300000000,  0.0000001700000000, -0.0000000500000000 ]  - [  -0.0000000800000000,  0.0000000000000000, -0.0000233900000000 ]  - [  -0.0000005900000000,  0.0000000000000000,  0.0000233900000000 ]  - [  -0.0000001000000000,  0.0000000000000000, -0.0000235400000000 ]  - [  -0.0000005300000000,  0.0000000000000000,  0.0000236900000000 ]  - [  -0.0000037800000000,  0.0000023500000000, -0.0000778300000000 ]  - [  -0.0000042600000000, -0.0000029300000000,  0.0004252700000000 ]  - [  -0.0000037800000000, -0.0000023500000000, -0.0000778300000000 ]  - [  -0.0000042600000000,  0.0000029300000000,  0.0004252700000000 ]  - [   0.0143720000000000,  0.0000000000000000, -0.0004885600000000 ]  - [  -0.0161034100000000,  0.0000000000000000, -0.0002109000000000 ]  - [   0.0014908300000000,  0.0000000000000000, -0.0001408200000000 ]  - [  -0.0014011800000000,  0.0000000000000000, -0.0001748900000000 ]  - [   0.0004177200000000, -0.0000000700000000,  0.0020661000000000 ]  - [  -0.0004171200000000,  0.0000003400000000,  0.0020670100000000 ]  - [   0.0004177200000000,  0.0000000700000000,  0.0020661000000000 ]  - [  -0.0004171200000000, -0.0000003400000000,  0.0020670100000000 ]  - [   0.0017148300000000,  0.0000000000000000, -0.0040679700000000 ]  - [   0.0070184900000000,  0.0000000000000000,  0.0000580200000000 ]  - [  -0.0006369100000000,  0.0000000000000000, -0.0018495000000000 ]  - [  -0.0005248300000000,  0.0000000000000000, -0.0022868900000000 ]  - [   0.0152871800000000,  0.0003017600000000, -0.0020639300000000 ]  - [  -0.0166731500000000,  0.0000285100000000, -0.0020646100000000 ]  - [   0.0152871800000000, -0.0003017600000000, -0.0020639300000000 ]  - [  -0.0166731500000000, -0.0000285100000000, -0.0020646100000000 ]  - [   0.0000062300000000,  0.0000024200000000,  0.0020672300000000 ]  - [  -0.0000036500000000, -0.0000017400000000,  0.0020666900000000 ]  - [   0.0000062300000000, -0.0000024200000000,  0.0020672300000000 ]  - [  -0.0000036500000000,  0.0000017400000000,  0.0020666900000000 ]  - [  -0.0000011400000000,  0.0000000700000000, -0.0006289100000000 ]  - [  -0.0000013000000000,  0.0000000900000000, -0.0006200600000000 ]  - [  -0.0000011400000000, -0.0000000700000000, -0.0006289100000000 ]  - [  -0.0000013000000000, -0.0000000900000000, -0.0006200600000000 ]  - [  -0.0000091800000000,  0.0000000000000000,  0.0006208000000000 ]  - [  -0.0000190300000000,  0.0000000000000000,  0.0006251400000000 ]  - [   0.0000009900000000,  0.0000000000000000,  0.0006239800000000 ]  - [  -0.0000035300000000,  0.0000000000000000,  0.0006223900000000 ]  - [  -0.0003755500000000,  0.0000000000000000,  0.0001815600000000 ]  - [  -0.0003192000000000,  0.0000000000000000, -0.0001545500000000 ]  - [  -0.0000046400000000,  0.0000000000000000,  0.0010561700000000 ]  - [   0.0000047700000000,  0.0000000000000000, -0.0010650700000000 ]  - [   0.0008335100000000, -0.0000070800000000,  0.0000083900000000 ]  - [  -0.0007856600000000,  0.0000030800000000, -0.0000058000000000 ]  - [   0.0008335100000000,  0.0000070800000000,  0.0000083900000000 ]  - [  -0.0007856600000000, -0.0000030800000000, -0.0000058000000000 ]  - [   0.0001511700000000,  0.0000000000000000,  0.0001642800000000 ]  - [  -0.0003818600000000,  0.0000000000000000,  0.0001730900000000 ]  - [   0.0001492000000000,  0.0000000000000000,  0.0001782600000000 ]  - [  -0.0001557600000000,  0.0000000000000000,  0.0001714900000000 ]  - [  -0.0000011000000000, -0.0000000100000000, -0.0002106800000000 ]  - [  -0.0000015900000000, -0.0000002600000000, -0.0001381700000000 ]  - [  -0.0000011000000000,  0.0000000100000000, -0.0002106800000000 ]  - [  -0.0000015900000000,  0.0000002600000000, -0.0001381700000000 ]  - [  -0.0000163500000000,  0.0000000000000000,  0.0020718700000000 ]  - [  -0.0000243800000000,  0.0000000000000000,  0.0020635500000000 ]  - [  -0.0000023300000000,  0.0000000000000000,  0.0020695600000000 ]  - [  -0.0000008300000000,  0.0000000000000000,  0.0020642500000000 ]  - [   0.0000066900000000,  0.0000000000000000, -0.0020674400000000 ]  - [  -0.0000085500000000,  0.0000000100000000, -0.0020675900000000 ]  - [   0.0000066900000000,  0.0000000000000000, -0.0020674400000000 ]  - [  -0.0000085500000000, -0.0000000100000000, -0.0020675900000000 ]  - [  -0.0000003300000000,  0.0000000000000000, -0.0020713900000000 ]  - [  -0.0000003600000000,  0.0000000000000000, -0.0020637400000000 ]  - [  -0.0000003700000000,  0.0000000000000000, -0.0020712400000000 ]  - [  -0.0000005700000000,  0.0000000000000000, -0.0020636500000000 ]  - [   0.0000006100000000, -0.0000000100000000,  0.0001101200000000 ]  - [   0.0000001000000000, -0.0000004400000000, -0.0001072000000000 ]  - [   0.0000006100000000,  0.0000000100000000,  0.0001101200000000 ]  - [   0.0000001000000000,  0.0000004400000000, -0.0001072000000000 ]  - [  -0.1881860800000000,  0.0000000000000000,  0.0048301300000000 ]  - [   0.1494740900000000,  0.0000000000000000,  0.0048210000000000 ]  - [  -0.0026503400000000,  0.0000000000000000,  0.0048331500000000 ]  - [   0.0032489800000000,  0.0000000000000000,  0.0048240500000000 ]  - [   0.0000045400000000,  0.0000414400000000, -0.0039580900000000 ]  - [   0.0000046400000000, -0.0000411600000000, -0.0056919500000000 ]  - [   0.0000045400000000, -0.0000414400000000, -0.0039580900000000 ]  - [   0.0000046400000000,  0.0000411600000000, -0.0056919500000000 ]  - [  -0.0013775300000000,  0.0000000000000000, -0.0000789500000000 ]  - [   0.0015900400000000,  0.0000000000000000,  0.0000410500000000 ]  - [  -0.0015450400000000,  0.0000000000000000, -0.0000179800000000 ]  - [   0.0016029500000000,  0.0000000000000000,  0.0000046600000000 ]  - [  -0.0000003300000000, -0.0000002700000000,  0.0048408800000000 ]  - [   0.0000008500000000, -0.0000007800000000,  0.0048093700000000 ]  - [  -0.0000003300000000,  0.0000002700000000,  0.0048408800000000 ]  - [   0.0000008500000000,  0.0000007800000000,  0.0048093700000000 ]  - [   0.0000214300000000,  0.0000000000000000, -0.0048226800000000 ]  - [   0.0000168800000000,  0.0000000000000000, -0.0048282300000000 ]  - [  -0.0000087400000000,  0.0000000000000000, -0.0048271400000000 ]  - [   0.0000088700000000,  0.0000000000000000, -0.0048218400000000 ]  - [  -0.0000960000000000,  0.0000000000000000,  0.0005616800000000 ]  - [   0.0000937100000000,  0.0000000000000000,  0.0005612400000000 ]  - [  -0.0000881600000000,  0.0000000000000000,  0.0005611600000000 ]  - [   0.0000864900000000,  0.0000000000000000,  0.0005609700000000 ]  - [   0.0032690900000000,  0.0109171000000000, -0.0118304400000000 ]  - [   0.0032330800000000, -0.0110678200000000,  0.0108453900000000 ]  - [   0.0032690900000000, -0.0109171000000000, -0.0118304400000000 ]  - [   0.0032330800000000,  0.0110678200000000,  0.0108453900000000 ]  - [   0.0057010300000000,  0.0149196700000000,  0.0130609000000000 ]  - [   0.0056700200000000, -0.0151143500000000, -0.0147452000000000 ]  - [   0.0057010300000000, -0.0149196700000000,  0.0130609000000000 ]  - [   0.0056700200000000,  0.0151143500000000, -0.0147452000000000 ]  - [  -0.0006539200000000,  0.0000000000000000,  0.0007914700000000 ]  - [   0.0003839700000000,  0.0000000000000000,  0.0007442500000000 ]  - [  -0.0006215100000000,  0.0000000000000000,  0.0007555900000000 ]  - [   0.0006068100000000,  0.0000000000000000,  0.0007486600000000 ]  - [  -0.0000019600000000, -0.0000646200000000,  0.0004144300000000 ]  - [  -0.0000050700000000,  0.0000651500000000,  0.0007079500000000 ]  - [  -0.0000019600000000,  0.0000646200000000,  0.0004144300000000 ]  - [  -0.0000050700000000, -0.0000651500000000,  0.0007079500000000 ]  - [  -0.0000130000000000,  0.0000000000000000, -0.0005620500000000 ]  - [   0.0000117700000000,  0.0000000000000000, -0.0005628100000000 ]  - [  -0.0000137400000000,  0.0000000000000000, -0.0005594800000000 ]  - [   0.0000126400000000,  0.0000000000000000, -0.0005602600000000 ]  - [  -0.0000030700000000,  0.0000000000000000, -0.0007510200000000 ]  - [   0.0000015000000000,  0.0000000000000000, -0.0007529000000000 ]  - [  -0.0000038300000000,  0.0000000000000000, -0.0007517300000000 ]  - [   0.0000026200000000,  0.0000000000000000, -0.0007520400000000 ]  - [  -0.0000001900000000,  0.0000005400000000,  0.0007507600000000 ]  - [  -0.0000009100000000,  0.0000001000000000,  0.0007537700000000 ]  - [  -0.0000001900000000, -0.0000005400000000,  0.0007507600000000 ]  - [  -0.0000009100000000, -0.0000001000000000,  0.0007537700000000 ]- atom:   85  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0014242300000000,  0.0000000000000000, -0.0004764800000000 ]  - [   0.0014242300000000,  0.0000000000000000, -0.0004764800000000 ]  - [  -0.0001486800000000,  0.0000000000000000,  0.0003360700000000 ]  - [   0.0001486800000000,  0.0000000000000000,  0.0003360700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0465921300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0105777900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0105777900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083429000000000 ]  - [  -0.0027885900000000, -0.0027885900000000, -0.0033143900000000 ]  - [   0.0027885900000000, -0.0027885900000000, -0.0033143900000000 ]  - [  -0.0027885900000000,  0.0027885900000000, -0.0033143900000000 ]  - [   0.0027885900000000,  0.0027885900000000, -0.0033143900000000 ]  - [   0.0000000000000000,  0.0000006600000000, -0.0020771200000000 ]  - [   0.0000000000000000, -0.0000121300000000, -0.0020662500000000 ]  - [   0.0000000000000000, -0.0000006600000000, -0.0020771200000000 ]  - [   0.0000000000000000,  0.0000121300000000, -0.0020662500000000 ]  - [   0.0000006600000000,  0.0000000000000000, -0.0020771200000000 ]  - [  -0.0000006600000000,  0.0000000000000000, -0.0020771200000000 ]  - [  -0.0000121300000000,  0.0000000000000000, -0.0020662500000000 ]  - [   0.0000121300000000,  0.0000000000000000, -0.0020662500000000 ]  - [  -0.0000977700000000, -0.0000977700000000, -0.0057263400000000 ]  - [   0.0000977700000000, -0.0000977700000000, -0.0057263400000000 ]  - [  -0.0000977700000000,  0.0000977700000000, -0.0057263400000000 ]  - [   0.0000977700000000,  0.0000977700000000, -0.0057263400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0167546300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0170185200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0170185200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0125638500000000 ]  - [   0.0000000000000000, -0.0014242300000000, -0.0004764800000000 ]  - [   0.0000000000000000, -0.0001486800000000,  0.0003360700000000 ]  - [   0.0000000000000000,  0.0014242300000000, -0.0004764800000000 ]  - [   0.0000000000000000,  0.0001486800000000,  0.0003360700000000 ]  - [  -0.0043158500000000,  0.0000000000000000,  0.0218632200000000 ]  - [   0.0043158500000000,  0.0000000000000000,  0.0218632200000000 ]  - [  -0.0001705600000000,  0.0000000000000000,  0.0052528500000000 ]  - [   0.0001705600000000,  0.0000000000000000,  0.0052528500000000 ]  - [   0.0000000000000000, -0.0043158500000000,  0.0218632200000000 ]  - [   0.0000000000000000, -0.0001705600000000,  0.0052528500000000 ]  - [   0.0000000000000000,  0.0043158500000000,  0.0218632200000000 ]  - [   0.0000000000000000,  0.0001705600000000,  0.0052528500000000 ]  - [   0.0000000000000000,  0.0007077500000000, -0.0004123000000000 ]  - [   0.0000000000000000,  0.0005651500000000,  0.0003939900000000 ]  - [   0.0000000000000000, -0.0007077500000000, -0.0004123000000000 ]  - [   0.0000000000000000, -0.0005651500000000,  0.0003939900000000 ]  - [   0.0000412500000000,  0.0000412500000000, -0.0057909700000000 ]  - [  -0.0000412500000000,  0.0000412500000000, -0.0057909700000000 ]  - [   0.0000412500000000, -0.0000412500000000, -0.0057909700000000 ]  - [  -0.0000412500000000, -0.0000412500000000, -0.0057909700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055161700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044256800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044256800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038260000000000 ]  - [   0.0136983500000000,  0.0000000000000000, -0.0058983000000000 ]  - [  -0.0136983500000000,  0.0000000000000000, -0.0058983000000000 ]  - [   0.0023304100000000,  0.0000000000000000,  0.0014249100000000 ]  - [  -0.0023304100000000,  0.0000000000000000,  0.0014249100000000 ]  - [   0.0000000000000000,  0.0136983500000000, -0.0058983000000000 ]  - [   0.0000000000000000,  0.0023304100000000,  0.0014249100000000 ]  - [   0.0000000000000000, -0.0136983500000000, -0.0058983000000000 ]  - [   0.0000000000000000, -0.0023304100000000,  0.0014249100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0140053700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045865400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045865400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008087100000000 ]  - [  -0.0000005000000000, -0.0000005000000000, -0.0061387600000000 ]  - [   0.0000005000000000, -0.0000005000000000, -0.0061387600000000 ]  - [  -0.0000005000000000,  0.0000005000000000, -0.0061387600000000 ]  - [   0.0000005000000000,  0.0000005000000000, -0.0061387600000000 ]  - [   0.0007077500000000,  0.0000000000000000, -0.0004123000000000 ]  - [  -0.0007077500000000,  0.0000000000000000, -0.0004123000000000 ]  - [   0.0005651500000000,  0.0000000000000000,  0.0003939900000000 ]  - [  -0.0005651500000000,  0.0000000000000000,  0.0003939900000000 ]  - [   0.0000000000000000,  0.0000158400000000, -0.0041460100000000 ]  - [   0.0000000000000000,  0.0000111400000000, -0.0041310000000000 ]  - [   0.0000000000000000, -0.0000158400000000, -0.0041460100000000 ]  - [   0.0000000000000000, -0.0000111400000000, -0.0041310000000000 ]  - [   0.0000158400000000,  0.0000000000000000, -0.0041460100000000 ]  - [  -0.0000158400000000,  0.0000000000000000, -0.0041460100000000 ]  - [   0.0000111400000000,  0.0000000000000000, -0.0041310000000000 ]  - [  -0.0000111400000000,  0.0000000000000000, -0.0041310000000000 ]  - [   0.0000093800000000,  0.0000093800000000,  0.0075168400000000 ]  - [  -0.0000093800000000,  0.0000093800000000,  0.0075168400000000 ]  - [   0.0000093800000000, -0.0000093800000000,  0.0075168400000000 ]  - [  -0.0000093800000000, -0.0000093800000000,  0.0075168400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1893942100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0199569900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0199569900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0144793800000000 ]  - [   0.0008675900000000,  0.0008675900000000,  0.0022892200000000 ]  - [  -0.0008675900000000,  0.0008675900000000,  0.0022892200000000 ]  - [   0.0008675900000000, -0.0008675900000000,  0.0022892200000000 ]  - [  -0.0008675900000000, -0.0008675900000000,  0.0022892200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0658634600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0068041000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0068041000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060545400000000 ]  - [  -0.0000165500000000, -0.0000165500000000,  0.0121211800000000 ]  - [   0.0000165500000000, -0.0000165500000000,  0.0121211800000000 ]  - [  -0.0000165500000000,  0.0000165500000000,  0.0121211800000000 ]  - [   0.0000165500000000,  0.0000165500000000,  0.0121211800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057450200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023540800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023540800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003366400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035670600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032250600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032250600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030288300000000 ]  - [  -0.0125233100000000, -0.0125233100000000, -0.0050991600000000 ]  - [   0.0125233100000000, -0.0125233100000000, -0.0050991600000000 ]  - [  -0.0125233100000000,  0.0125233100000000, -0.0050991600000000 ]  - [   0.0125233100000000,  0.0125233100000000, -0.0050991600000000 ]  - [   0.0166398400000000,  0.0166398400000000, -0.0047528000000000 ]  - [  -0.0166398400000000,  0.0166398400000000, -0.0047528000000000 ]  - [   0.0166398400000000, -0.0166398400000000, -0.0047528000000000 ]  - [  -0.0166398400000000, -0.0166398400000000, -0.0047528000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0216866500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008377200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008377200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004820600000000 ]  - [  -0.0015295600000000, -0.0015295600000000,  0.0030399700000000 ]  - [   0.0015295600000000, -0.0015295600000000,  0.0030399700000000 ]  - [  -0.0015295600000000,  0.0015295600000000,  0.0030399700000000 ]  - [   0.0015295600000000,  0.0015295600000000,  0.0030399700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021055300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020957100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020957100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020864400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030184700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028742900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028742900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027499200000000 ]  - [  -0.0002414300000000, -0.0002414300000000,  0.0043862700000000 ]  - [   0.0002414300000000, -0.0002414300000000,  0.0043862700000000 ]  - [  -0.0002414300000000,  0.0002414300000000,  0.0043862700000000 ]  - [   0.0002414300000000,  0.0002414300000000,  0.0043862700000000 ]- atom:   85  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0014275700000000,  0.0000000000000000,  0.0046082600000000 ]  - [  -0.0014275700000000,  0.0000000000000000,  0.0046082600000000 ]  - [   0.0001475400000000,  0.0000000000000000,  0.0037948800000000 ]  - [  -0.0001475400000000,  0.0000000000000000,  0.0037948800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0537417600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0119014900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0119014900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0096044800000000 ]  - [   0.0027990200000000,  0.0027990200000000,  0.0045577700000000 ]  - [  -0.0027990200000000,  0.0027990200000000,  0.0045577700000000 ]  - [   0.0027990200000000, -0.0027990200000000,  0.0045577700000000 ]  - [  -0.0027990200000000, -0.0027990200000000,  0.0045577700000000 ]  - [   0.0000000000000000, -0.0000007600000000,  0.0020729900000000 ]  - [   0.0000000000000000,  0.0000121300000000,  0.0020620700000000 ]  - [   0.0000000000000000,  0.0000007600000000,  0.0020729900000000 ]  - [   0.0000000000000000, -0.0000121300000000,  0.0020620700000000 ]  - [  -0.0000007600000000,  0.0000000000000000,  0.0020729900000000 ]  - [   0.0000007600000000,  0.0000000000000000,  0.0020729900000000 ]  - [   0.0000121300000000,  0.0000000000000000,  0.0020620700000000 ]  - [  -0.0000121300000000,  0.0000000000000000,  0.0020620700000000 ]  - [   0.0000979000000000,  0.0000979000000000,  0.0060657700000000 ]  - [  -0.0000979000000000,  0.0000979000000000,  0.0060657700000000 ]  - [   0.0000979000000000, -0.0000979000000000,  0.0060657700000000 ]  - [  -0.0000979000000000, -0.0000979000000000,  0.0060657700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0127130100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0172237400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0172237400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0128582300000000 ]  - [   0.0000000000000000,  0.0014275700000000,  0.0046082600000000 ]  - [   0.0000000000000000,  0.0001475400000000,  0.0037948800000000 ]  - [   0.0000000000000000, -0.0014275700000000,  0.0046082600000000 ]  - [   0.0000000000000000, -0.0001475400000000,  0.0037948800000000 ]  - [   0.0049883600000000,  0.0000000000000000, -0.0260775000000000 ]  - [  -0.0049883600000000,  0.0000000000000000, -0.0260775000000000 ]  - [   0.0001283600000000,  0.0000000000000000, -0.0093680800000000 ]  - [  -0.0001283600000000,  0.0000000000000000, -0.0093680800000000 ]  - [   0.0000000000000000,  0.0049883600000000, -0.0260775000000000 ]  - [   0.0000000000000000,  0.0001283600000000, -0.0093680800000000 ]  - [   0.0000000000000000, -0.0049883600000000, -0.0260775000000000 ]  - [   0.0000000000000000, -0.0001283600000000, -0.0093680800000000 ]  - [   0.0000000000000000, -0.0007097300000000,  0.0045407300000000 ]  - [   0.0000000000000000, -0.0005635000000000,  0.0037365300000000 ]  - [   0.0000000000000000,  0.0007097300000000,  0.0045407300000000 ]  - [   0.0000000000000000,  0.0005635000000000,  0.0037365300000000 ]  - [  -0.0000414700000000, -0.0000414700000000,  0.0045326300000000 ]  - [   0.0000414700000000, -0.0000414700000000,  0.0045326300000000 ]  - [  -0.0000414700000000,  0.0000414700000000,  0.0045326300000000 ]  - [   0.0000414700000000,  0.0000414700000000,  0.0045326300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0067595200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056659300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056659300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0050670600000000 ]  - [  -0.0136005400000000,  0.0000000000000000,  0.0058259900000000 ]  - [   0.0136005400000000,  0.0000000000000000,  0.0058259900000000 ]  - [  -0.0023227800000000,  0.0000000000000000, -0.0014145000000000 ]  - [   0.0023227800000000,  0.0000000000000000, -0.0014145000000000 ]  - [   0.0000000000000000, -0.0136005400000000,  0.0058259900000000 ]  - [   0.0000000000000000, -0.0023227800000000, -0.0014145000000000 ]  - [   0.0000000000000000,  0.0136005400000000,  0.0058259900000000 ]  - [   0.0000000000000000,  0.0023227800000000, -0.0014145000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0143716300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049307700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049307700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011644300000000 ]  - [   0.0000003400000000,  0.0000003400000000,  0.0057783800000000 ]  - [  -0.0000003400000000,  0.0000003400000000,  0.0057783800000000 ]  - [   0.0000003400000000, -0.0000003400000000,  0.0057783800000000 ]  - [  -0.0000003400000000, -0.0000003400000000,  0.0057783800000000 ]  - [  -0.0007097300000000,  0.0000000000000000,  0.0045407300000000 ]  - [   0.0007097300000000,  0.0000000000000000,  0.0045407300000000 ]  - [  -0.0005635000000000,  0.0000000000000000,  0.0037365300000000 ]  - [   0.0005635000000000,  0.0000000000000000,  0.0037365300000000 ]  - [   0.0000000000000000, -0.0000162000000000,  0.0000072100000000 ]  - [   0.0000000000000000, -0.0000113900000000, -0.0000080100000000 ]  - [   0.0000000000000000,  0.0000162000000000,  0.0000072100000000 ]  - [   0.0000000000000000,  0.0000113900000000, -0.0000080100000000 ]  - [  -0.0000162000000000,  0.0000000000000000,  0.0000072100000000 ]  - [   0.0000162000000000,  0.0000000000000000,  0.0000072100000000 ]  - [  -0.0000113900000000,  0.0000000000000000, -0.0000080100000000 ]  - [   0.0000113900000000,  0.0000000000000000, -0.0000080100000000 ]  - [  -0.0000094700000000, -0.0000094700000000, -0.0075057500000000 ]  - [   0.0000094700000000, -0.0000094700000000, -0.0075057500000000 ]  - [  -0.0000094700000000,  0.0000094700000000, -0.0075057500000000 ]  - [   0.0000094700000000,  0.0000094700000000, -0.0075057500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2007271700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0295575700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0295575700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0240928500000000 ]  - [  -0.0008668100000000, -0.0008668100000000, -0.0119376700000000 ]  - [   0.0008668100000000, -0.0008668100000000, -0.0119376700000000 ]  - [  -0.0008668100000000,  0.0008668100000000, -0.0119376700000000 ]  - [   0.0008668100000000,  0.0008668100000000, -0.0119376700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0651807900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0067081600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0067081600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0060261600000000 ]  - [   0.0000148600000000,  0.0000148600000000, -0.0024582100000000 ]  - [  -0.0000148600000000,  0.0000148600000000, -0.0024582100000000 ]  - [   0.0000148600000000, -0.0000148600000000, -0.0024582100000000 ]  - [  -0.0000148600000000, -0.0000148600000000, -0.0024582100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0153965100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0119884300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0119884300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0093070400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024382400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020983900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020983900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019022900000000 ]  - [   0.0123848900000000,  0.0123848900000000,  0.0039221000000000 ]  - [  -0.0123848900000000,  0.0123848900000000,  0.0039221000000000 ]  - [   0.0123848900000000, -0.0123848900000000,  0.0039221000000000 ]  - [  -0.0123848900000000, -0.0123848900000000,  0.0039221000000000 ]  - [  -0.0167654900000000, -0.0167654900000000,  0.0032835800000000 ]  - [   0.0167654900000000, -0.0167654900000000,  0.0032835800000000 ]  - [  -0.0167654900000000,  0.0167654900000000,  0.0032835800000000 ]  - [   0.0167654900000000,  0.0167654900000000,  0.0032835800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0203568400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007020800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007020800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020050000000000 ]  - [   0.0015228000000000,  0.0015228000000000, -0.0019056400000000 ]  - [  -0.0015228000000000,  0.0015228000000000, -0.0019056400000000 ]  - [   0.0015228000000000, -0.0015228000000000, -0.0019056400000000 ]  - [  -0.0015228000000000, -0.0015228000000000, -0.0019056400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032244900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032153600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032153600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032067400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045251500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043809500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043809500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042563700000000 ]  - [   0.0002411900000000,  0.0002411900000000, -0.0028670700000000 ]  - [  -0.0002411900000000,  0.0002411900000000, -0.0028670700000000 ]  - [   0.0002411900000000, -0.0002411900000000, -0.0028670700000000 ]  - [  -0.0002411900000000, -0.0002411900000000, -0.0028670700000000 ]- atom:  105  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012340300000000,  0.0000000000000000,  0.0067839000000000 ]  - [  -0.0010773900000000,  0.0000000000000000, -0.0025602100000000 ]  - [   0.0001746200000000,  0.0000000000000000,  0.0038040100000000 ]  - [   0.0001832000000000,  0.0000000000000000,  0.0003234300000000 ]  - [   0.0002234600000000,  0.0000000000000000, -0.0006220100000000 ]  - [  -0.0002115900000000,  0.0000000000000000, -0.0006237000000000 ]  - [   0.0002718300000000,  0.0000000000000000, -0.0006227100000000 ]  - [  -0.0002653800000000,  0.0000000000000000, -0.0006242300000000 ]  - [   0.0000879700000000, -0.0007013900000000,  0.0028778800000000 ]  - [   0.0000937700000000,  0.0007048800000000, -0.0016335800000000 ]  - [   0.0000879700000000,  0.0007013900000000,  0.0028778800000000 ]  - [   0.0000937700000000, -0.0007048800000000, -0.0016335800000000 ]  - [   0.0091240100000000, -0.0000079500000000, -0.0000082000000000 ]  - [  -0.0061332900000000,  0.0000065300000000,  0.0000059300000000 ]  - [   0.0091240100000000,  0.0000079500000000, -0.0000082000000000 ]  - [  -0.0061332900000000, -0.0000065300000000,  0.0000059300000000 ]  - [  -0.0007969800000000,  0.0000000000000000, -0.0042583600000000 ]  - [  -0.0006079100000000,  0.0000000000000000,  0.0041404700000000 ]  - [   0.0001964600000000,  0.0000000000000000, -0.0018358700000000 ]  - [   0.0002058300000000,  0.0000000000000000,  0.0018436400000000 ]  - [  -0.0010430800000000, -0.0044076900000000,  0.0000051500000000 ]  - [  -0.0008687600000000,  0.0043033200000000,  0.0003427200000000 ]  - [  -0.0010430800000000,  0.0044076900000000,  0.0000051500000000 ]  - [  -0.0008687600000000, -0.0043033200000000,  0.0003427200000000 ]  - [   0.0000094000000000,  0.0000000000000000, -0.0001750100000000 ]  - [  -0.0000090000000000,  0.0000000000000000, -0.0001740600000000 ]  - [   0.0000097900000000,  0.0000000000000000, -0.0001739100000000 ]  - [  -0.0000098900000000,  0.0000000000000000, -0.0001743100000000 ]  - [   0.0083439500000000, -0.0000083800000000,  0.0020759600000000 ]  - [  -0.0056799200000000,  0.0000062300000000,  0.0020614600000000 ]  - [   0.0083439500000000,  0.0000083800000000,  0.0020759600000000 ]  - [  -0.0056799200000000, -0.0000062300000000,  0.0020614600000000 ]  - [   0.0000019800000000,  0.0000000000000000, -0.0020194300000000 ]  - [   0.0000007700000000,  0.0000000000000000, -0.0021148200000000 ]  - [  -0.0000009200000000,  0.0000000000000000, -0.0020250600000000 ]  - [   0.0000001700000000,  0.0000000000000000, -0.0021093500000000 ]  - [   0.0000762700000000,  0.0000007100000000, -0.0020671500000000 ]  - [  -0.0000772600000000, -0.0000002200000000, -0.0020672000000000 ]  - [   0.0000762700000000, -0.0000007100000000, -0.0020671500000000 ]  - [  -0.0000772600000000,  0.0000002200000000, -0.0020672000000000 ]  - [   0.0000118800000000,  0.0000004200000000,  0.0020673200000000 ]  - [  -0.0000120500000000, -0.0000001600000000,  0.0020673700000000 ]  - [   0.0000118800000000, -0.0000004200000000,  0.0020673200000000 ]  - [  -0.0000120500000000,  0.0000001600000000,  0.0020673700000000 ]  - [   0.0000020100000000,  0.0000008900000000, -0.0009848000000000 ]  - [   0.0000020700000000, -0.0000008000000000, -0.0002631500000000 ]  - [   0.0000020100000000, -0.0000008900000000, -0.0009848000000000 ]  - [   0.0000020700000000,  0.0000008000000000, -0.0002631500000000 ]  - [   0.0000368100000000,  0.0000000000000000,  0.0006236400000000 ]  - [  -0.0000367700000000,  0.0000000000000000,  0.0006243100000000 ]  - [   0.0000366300000000,  0.0000000000000000,  0.0006240600000000 ]  - [  -0.0000365300000000,  0.0000000000000000,  0.0006237000000000 ]  - [  -0.0000006700000000,  0.0000000000000000,  0.0000009100000000 ]  - [   0.0000006900000000,  0.0000000000000000, -0.0000003400000000 ]  - [  -0.0000001800000000,  0.0000000000000000,  0.0000009600000000 ]  - [   0.0000001500000000,  0.0000000000000000, -0.0000003000000000 ]  - [   0.0000011300000000, -0.0000004400000000,  0.0000003800000000 ]  - [  -0.0000011200000000,  0.0000000000000000,  0.0000002500000000 ]  - [   0.0000011300000000,  0.0000004400000000,  0.0000003800000000 ]  - [  -0.0000011200000000,  0.0000000000000000,  0.0000002500000000 ]  - [   0.0000017000000000,  0.0000000000000000,  0.0001758200000000 ]  - [  -0.0000018300000000,  0.0000000000000000,  0.0001747800000000 ]  - [   0.0000017000000000,  0.0000000000000000,  0.0001750000000000 ]  - [  -0.0000018300000000,  0.0000000000000000,  0.0001750100000000 ]  - [   0.0000889400000000, -0.0007449000000000, -0.0029672000000000 ]  - [   0.0000940900000000,  0.0007485800000000,  0.0026219100000000 ]  - [   0.0000889400000000,  0.0007449000000000, -0.0029672000000000 ]  - [   0.0000940900000000, -0.0007485800000000,  0.0026219100000000 ]  - [   0.0000004500000000,  0.0000000000000000,  0.0020609000000000 ]  - [  -0.0000005600000000,  0.0000000000000000,  0.0020738600000000 ]  - [  -0.0000002100000000,  0.0000000000000000,  0.0020608300000000 ]  - [   0.0000000800000000,  0.0000000000000000,  0.0020737600000000 ]  - [   0.0006293400000000,  0.0000001400000000, -0.0020681400000000 ]  - [  -0.0006196700000000, -0.0000001300000000, -0.0020679500000000 ]  - [   0.0006293400000000, -0.0000001400000000, -0.0020681400000000 ]  - [  -0.0006196700000000,  0.0000001300000000, -0.0020679500000000 ]  - [  -0.0000057700000000,  0.0000000000000000, -0.0023895700000000 ]  - [  -0.0000060400000000,  0.0000000000000000, -0.0017451300000000 ]  - [  -0.0000049500000000,  0.0000000000000000, -0.0025173000000000 ]  - [  -0.0000043700000000,  0.0000000000000000, -0.0016167900000000 ]  - [   0.0039804700000000,  0.0123882600000000,  0.0136453000000000 ]  - [   0.0039461100000000, -0.0124818500000000, -0.0137368100000000 ]  - [   0.0039804700000000, -0.0123882600000000,  0.0136453000000000 ]  - [   0.0039461100000000,  0.0124818500000000, -0.0137368100000000 ]  - [  -0.0000942100000000,  0.0000000000000000,  0.0048236500000000 ]  - [   0.0000931400000000,  0.0000000000000000,  0.0048235000000000 ]  - [  -0.0000863400000000,  0.0000000000000000,  0.0048231600000000 ]  - [   0.0000852800000000,  0.0000000000000000,  0.0048253600000000 ]  - [   0.0032699700000000,  0.0109536600000000, -0.0172390200000000 ]  - [   0.0032331000000000, -0.0110296800000000,  0.0076677700000000 ]  - [   0.0032699700000000, -0.0109536600000000, -0.0172390200000000 ]  - [   0.0032331000000000,  0.0110296800000000,  0.0076677700000000 ]  - [  -0.0000004800000000,  0.0000000000000000, -0.0000000600000000 ]  - [   0.0000004800000000,  0.0000000000000000,  0.0000010000000000 ]  - [   0.0000004900000000,  0.0000000000000000,  0.0000002700000000 ]  - [  -0.0000000300000000,  0.0000000000000000, -0.0000008600000000 ]  - [  -0.0000022200000000, -0.0000650700000000,  0.0063508000000000 ]  - [  -0.0000035900000000,  0.0000655700000000,  0.0032981900000000 ]  - [  -0.0000022200000000,  0.0000650700000000,  0.0063508000000000 ]  - [  -0.0000035900000000, -0.0000655700000000,  0.0032981900000000 ]  - [  -0.0000139300000000,  0.0000000000000000, -0.0048247200000000 ]  - [   0.0000146900000000,  0.0000000000000000, -0.0048240000000000 ]  - [  -0.0000136100000000,  0.0000000000000000, -0.0048249900000000 ]  - [   0.0000129600000000,  0.0000000000000000, -0.0048251000000000 ]  - [  -0.0519795600000000,  0.0000000000000000,  0.0006186100000000 ]  - [   0.0195152800000000,  0.0000000000000000,  0.0005605500000000 ]  - [  -0.0054727200000000,  0.0000000000000000,  0.0005608200000000 ]  - [   0.0048620700000000,  0.0000000000000000,  0.0005611500000000 ]  - [  -0.0000005500000000,  0.0000014600000000, -0.0005765100000000 ]  - [   0.0000005200000000, -0.0000010800000000, -0.0005463000000000 ]  - [  -0.0000005500000000, -0.0000014600000000, -0.0005765100000000 ]  - [   0.0000005200000000,  0.0000010800000000, -0.0005463000000000 ]  - [   0.0000017000000000, -0.0000103800000000, -0.0012070100000000 ]  - [   0.0000006500000000,  0.0000106900000000, -0.0003001100000000 ]  - [   0.0000017000000000,  0.0000103800000000, -0.0012070100000000 ]  - [   0.0000006500000000, -0.0000106900000000, -0.0003001100000000 ]  - [  -0.0033804100000000,  0.0000000000000000,  0.0007328900000000 ]  - [   0.0028143400000000,  0.0000000000000000,  0.0007587400000000 ]  - [  -0.0014051300000000,  0.0000000000000000,  0.0007485700000000 ]  - [   0.0013413800000000,  0.0000000000000000,  0.0007543000000000 ]  - [   0.0000004300000000, -0.0000004300000000,  0.0005641100000000 ]  - [  -0.0000006300000000, -0.0000009700000000,  0.0005585700000000 ]  - [   0.0000004300000000,  0.0000004300000000,  0.0005641100000000 ]  - [  -0.0000006300000000,  0.0000009700000000,  0.0005585700000000 ]  - [  -0.0030760200000000,  0.0000000000000000, -0.0005455800000000 ]  - [   0.0027231200000000,  0.0000000000000000, -0.0005654800000000 ]  - [  -0.0012944100000000,  0.0000000000000000, -0.0005563900000000 ]  - [   0.0012185100000000,  0.0000000000000000, -0.0005617400000000 ]  - [  -0.0002219100000000,  0.0000000000000000, -0.0007542000000000 ]  - [   0.0002206000000000,  0.0000000000000000, -0.0007552900000000 ]  - [  -0.0002309300000000,  0.0000000000000000, -0.0007543400000000 ]  - [   0.0002317600000000,  0.0000000000000000, -0.0007548000000000 ]  - [   0.0000001500000000,  0.0000005000000000,  0.0008157000000000 ]  - [  -0.0000000500000000, -0.0000000200000000,  0.0006935500000000 ]  - [   0.0000001500000000, -0.0000005000000000,  0.0008157000000000 ]  - [  -0.0000000500000000,  0.0000000200000000,  0.0006935500000000 ]- atom:  105  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0044464500000000,  0.0000000000000000,  0.0033421600000000 ]  - [  -0.0044464500000000,  0.0000000000000000,  0.0033421600000000 ]  - [   0.0014271900000000,  0.0000000000000000,  0.0046382600000000 ]  - [  -0.0014271900000000,  0.0000000000000000,  0.0046382600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034206600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026203800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026203800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022220300000000 ]  - [   0.0008792800000000,  0.0008792800000000, -0.0000100600000000 ]  - [  -0.0008792800000000,  0.0008792800000000, -0.0000100600000000 ]  - [   0.0008792800000000, -0.0008792800000000, -0.0000100600000000 ]  - [  -0.0008792800000000, -0.0008792800000000, -0.0000100600000000 ]  - [   0.0000000000000000, -0.0040969500000000,  0.0020286100000000 ]  - [   0.0000000000000000, -0.0015325700000000,  0.0024933400000000 ]  - [   0.0000000000000000,  0.0040969500000000,  0.0020286100000000 ]  - [   0.0000000000000000,  0.0015325700000000,  0.0024933400000000 ]  - [  -0.0040969500000000,  0.0000000000000000,  0.0020286100000000 ]  - [   0.0040969500000000,  0.0000000000000000,  0.0020286100000000 ]  - [  -0.0015325700000000,  0.0000000000000000,  0.0024933400000000 ]  - [   0.0015325700000000,  0.0000000000000000,  0.0024933400000000 ]  - [   0.0000503200000000,  0.0000503200000000,  0.0160066100000000 ]  - [  -0.0000503200000000,  0.0000503200000000,  0.0160066100000000 ]  - [   0.0000503200000000, -0.0000503200000000,  0.0160066100000000 ]  - [  -0.0000503200000000, -0.0000503200000000,  0.0160066100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024573400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023461700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023461700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022852500000000 ]  - [   0.0000000000000000,  0.0044464500000000,  0.0033421600000000 ]  - [   0.0000000000000000,  0.0014271900000000,  0.0046382600000000 ]  - [   0.0000000000000000, -0.0044464500000000,  0.0033421600000000 ]  - [   0.0000000000000000, -0.0014271900000000,  0.0046382600000000 ]  - [   0.0000751800000000,  0.0000000000000000, -0.0028362400000000 ]  - [  -0.0000751800000000,  0.0000000000000000, -0.0028362400000000 ]  - [   0.0000506400000000,  0.0000000000000000, -0.0027875800000000 ]  - [  -0.0000506400000000,  0.0000000000000000, -0.0027875800000000 ]  - [   0.0000000000000000,  0.0000751800000000, -0.0028362400000000 ]  - [   0.0000000000000000,  0.0000506400000000, -0.0027875800000000 ]  - [   0.0000000000000000, -0.0000751800000000, -0.0028362400000000 ]  - [   0.0000000000000000, -0.0000506400000000, -0.0027875800000000 ]  - [   0.0000000000000000,  0.0000010900000000,  0.0013131400000000 ]  - [   0.0000000000000000,  0.0000004100000000,  0.0013152600000000 ]  - [   0.0000000000000000, -0.0000010900000000,  0.0013131400000000 ]  - [   0.0000000000000000, -0.0000004100000000,  0.0013152600000000 ]  - [  -0.0000190800000000, -0.0000190800000000, -0.0024298100000000 ]  - [   0.0000190800000000, -0.0000190800000000, -0.0024298100000000 ]  - [  -0.0000190800000000,  0.0000190800000000, -0.0024298100000000 ]  - [   0.0000190800000000,  0.0000190800000000, -0.0024298100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012744700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012661000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012661000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012562000000000 ]  - [   0.0000085900000000,  0.0000000000000000, -0.0007547100000000 ]  - [  -0.0000085900000000,  0.0000000000000000, -0.0007547100000000 ]  - [   0.0000073900000000,  0.0000000000000000, -0.0007468200000000 ]  - [  -0.0000073900000000,  0.0000000000000000, -0.0007468200000000 ]  - [   0.0000000000000000,  0.0000085900000000, -0.0007547100000000 ]  - [   0.0000000000000000,  0.0000073900000000, -0.0007468200000000 ]  - [   0.0000000000000000, -0.0000085900000000, -0.0007547100000000 ]  - [   0.0000000000000000, -0.0000073900000000, -0.0007468200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020116800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019968000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019968000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019850400000000 ]  - [  -0.0007834300000000, -0.0007834300000000, -0.0011816200000000 ]  - [   0.0007834300000000, -0.0007834300000000, -0.0011816200000000 ]  - [  -0.0007834300000000,  0.0007834300000000, -0.0011816200000000 ]  - [   0.0007834300000000,  0.0007834300000000, -0.0011816200000000 ]  - [   0.0000010900000000,  0.0000000000000000,  0.0013131400000000 ]  - [  -0.0000010900000000,  0.0000000000000000,  0.0013131400000000 ]  - [   0.0000004100000000,  0.0000000000000000,  0.0013152600000000 ]  - [  -0.0000004100000000,  0.0000000000000000,  0.0013152600000000 ]  - [   0.0000000000000000, -0.0001146800000000, -0.0029680000000000 ]  - [   0.0000000000000000, -0.0000866900000000, -0.0028100400000000 ]  - [   0.0000000000000000,  0.0001146800000000, -0.0029680000000000 ]  - [   0.0000000000000000,  0.0000866900000000, -0.0028100400000000 ]  - [  -0.0001146800000000,  0.0000000000000000, -0.0029680000000000 ]  - [   0.0001146800000000,  0.0000000000000000, -0.0029680000000000 ]  - [  -0.0000866900000000,  0.0000000000000000, -0.0028100400000000 ]  - [   0.0000866900000000,  0.0000000000000000, -0.0028100400000000 ]  - [   0.0121416600000000,  0.0121416600000000, -0.0045504600000000 ]  - [  -0.0121416600000000,  0.0121416600000000, -0.0045504600000000 ]  - [   0.0121416600000000, -0.0121416600000000, -0.0045504600000000 ]  - [  -0.0121416600000000, -0.0121416600000000, -0.0045504600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078341300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0074865600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0074865600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0072932500000000 ]  - [  -0.0113770600000000, -0.0113770600000000, -0.0093547100000000 ]  - [   0.0113770600000000, -0.0113770600000000, -0.0093547100000000 ]  - [  -0.0113770600000000,  0.0113770600000000, -0.0093547100000000 ]  - [   0.0113770600000000,  0.0113770600000000, -0.0093547100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027777700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027312300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027312300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027022900000000 ]  - [   0.0001469800000000,  0.0001469800000000,  0.0073022200000000 ]  - [  -0.0001469800000000,  0.0001469800000000,  0.0073022200000000 ]  - [   0.0001469800000000, -0.0001469800000000,  0.0073022200000000 ]  - [  -0.0001469800000000, -0.0001469800000000,  0.0073022200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021590800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021721900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021721900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021815100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0601271800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0081016300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0081016300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047738200000000 ]  - [  -0.0000153500000000, -0.0000153500000000,  0.0003959900000000 ]  - [   0.0000153500000000, -0.0000153500000000,  0.0003959900000000 ]  - [  -0.0000153500000000,  0.0000153500000000,  0.0003959900000000 ]  - [   0.0000153500000000,  0.0000153500000000,  0.0003959900000000 ]  - [  -0.0000808700000000, -0.0000808700000000,  0.0005089600000000 ]  - [   0.0000808700000000, -0.0000808700000000,  0.0005089600000000 ]  - [  -0.0000808700000000,  0.0000808700000000,  0.0005089600000000 ]  - [   0.0000808700000000,  0.0000808700000000,  0.0005089600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0122252200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026685800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026685800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012249000000000 ]  - [  -0.0000017600000000, -0.0000017600000000,  0.0015253900000000 ]  - [   0.0000017600000000, -0.0000017600000000,  0.0015253900000000 ]  - [  -0.0000017600000000,  0.0000017600000000,  0.0015253900000000 ]  - [   0.0000017600000000,  0.0000017600000000,  0.0015253900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0089757100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010606800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010606800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003515300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006768100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006305700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006305700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005776200000000 ]  - [   0.0000008600000000,  0.0000008600000000,  0.0020774400000000 ]  - [  -0.0000008600000000,  0.0000008600000000,  0.0020774400000000 ]  - [   0.0000008600000000, -0.0000008600000000,  0.0020774400000000 ]  - [  -0.0000008600000000, -0.0000008600000000,  0.0020774400000000 ]- atom:  105  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0045453100000000,  0.0000000000000000,  0.0009495100000000 ]  - [   0.0045453100000000,  0.0000000000000000,  0.0009495100000000 ]  - [  -0.0014205700000000,  0.0000000000000000, -0.0004939300000000 ]  - [   0.0014205700000000,  0.0000000000000000, -0.0004939300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021546000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013729100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013729100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009749900000000 ]  - [  -0.0008720000000000, -0.0008720000000000,  0.0012692100000000 ]  - [   0.0008720000000000, -0.0008720000000000,  0.0012692100000000 ]  - [  -0.0008720000000000,  0.0008720000000000,  0.0012692100000000 ]  - [   0.0008720000000000,  0.0008720000000000,  0.0012692100000000 ]  - [   0.0000000000000000,  0.0039680600000000, -0.0022129500000000 ]  - [   0.0000000000000000,  0.0015383100000000, -0.0025012100000000 ]  - [   0.0000000000000000, -0.0039680600000000, -0.0022129500000000 ]  - [   0.0000000000000000, -0.0015383100000000, -0.0025012100000000 ]  - [   0.0039680600000000,  0.0000000000000000, -0.0022129500000000 ]  - [  -0.0039680600000000,  0.0000000000000000, -0.0022129500000000 ]  - [   0.0015383100000000,  0.0000000000000000, -0.0025012100000000 ]  - [  -0.0015383100000000,  0.0000000000000000, -0.0025012100000000 ]  - [  -0.0000629600000000, -0.0000629600000000, -0.0156524400000000 ]  - [   0.0000629600000000, -0.0000629600000000, -0.0156524400000000 ]  - [  -0.0000629600000000,  0.0000629600000000, -0.0156524400000000 ]  - [   0.0000629600000000,  0.0000629600000000, -0.0156524400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021041700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019963300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019963300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019347800000000 ]  - [   0.0000000000000000, -0.0045453100000000,  0.0009495100000000 ]  - [   0.0000000000000000, -0.0014205700000000, -0.0004939300000000 ]  - [   0.0000000000000000,  0.0045453100000000,  0.0009495100000000 ]  - [   0.0000000000000000,  0.0014205700000000, -0.0004939300000000 ]  - [  -0.0000726000000000,  0.0000000000000000, -0.0012990400000000 ]  - [   0.0000726000000000,  0.0000000000000000, -0.0012990400000000 ]  - [  -0.0000511000000000,  0.0000000000000000, -0.0013469000000000 ]  - [   0.0000511000000000,  0.0000000000000000, -0.0013469000000000 ]  - [   0.0000000000000000, -0.0000726000000000, -0.0012990400000000 ]  - [   0.0000000000000000, -0.0000511000000000, -0.0013469000000000 ]  - [   0.0000000000000000,  0.0000726000000000, -0.0012990400000000 ]  - [   0.0000000000000000,  0.0000511000000000, -0.0013469000000000 ]  - [   0.0000000000000000, -0.0000009700000000,  0.0028211200000000 ]  - [   0.0000000000000000, -0.0000001400000000,  0.0028191700000000 ]  - [   0.0000000000000000,  0.0000009700000000,  0.0028211200000000 ]  - [   0.0000000000000000,  0.0000001400000000,  0.0028191700000000 ]  - [   0.0000190700000000,  0.0000190700000000,  0.0011801900000000 ]  - [  -0.0000190700000000,  0.0000190700000000,  0.0011801900000000 ]  - [   0.0000190700000000, -0.0000190700000000,  0.0011801900000000 ]  - [  -0.0000190700000000, -0.0000190700000000,  0.0011801900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025221500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025129100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025129100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025026800000000 ]  - [  -0.0000087400000000,  0.0000000000000000,  0.0007546700000000 ]  - [   0.0000087400000000,  0.0000000000000000,  0.0007546700000000 ]  - [  -0.0000068800000000,  0.0000000000000000,  0.0007467800000000 ]  - [   0.0000068800000000,  0.0000000000000000,  0.0007467800000000 ]  - [   0.0000000000000000, -0.0000087400000000,  0.0007546700000000 ]  - [   0.0000000000000000, -0.0000068800000000,  0.0007467800000000 ]  - [   0.0000000000000000,  0.0000087400000000,  0.0007546700000000 ]  - [   0.0000000000000000,  0.0000068800000000,  0.0007467800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023600300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023452700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023452700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023338300000000 ]  - [   0.0007894200000000,  0.0007894200000000,  0.0008215500000000 ]  - [  -0.0007894200000000,  0.0007894200000000,  0.0008215500000000 ]  - [   0.0007894200000000, -0.0007894200000000,  0.0008215500000000 ]  - [  -0.0007894200000000, -0.0007894200000000,  0.0008215500000000 ]  - [  -0.0000009700000000,  0.0000000000000000,  0.0028211200000000 ]  - [   0.0000009700000000,  0.0000000000000000,  0.0028211200000000 ]  - [  -0.0000001400000000,  0.0000000000000000,  0.0028191700000000 ]  - [   0.0000001400000000,  0.0000000000000000,  0.0028191700000000 ]  - [   0.0000000000000000,  0.0001177600000000, -0.0011658300000000 ]  - [   0.0000000000000000,  0.0000863400000000, -0.0013259600000000 ]  - [   0.0000000000000000, -0.0001177600000000, -0.0011658300000000 ]  - [   0.0000000000000000, -0.0000863400000000, -0.0013259600000000 ]  - [   0.0001177600000000,  0.0000000000000000, -0.0011658300000000 ]  - [  -0.0001177600000000,  0.0000000000000000, -0.0011658300000000 ]  - [   0.0000863400000000,  0.0000000000000000, -0.0013259600000000 ]  - [  -0.0000863400000000,  0.0000000000000000, -0.0013259600000000 ]  - [  -0.0122235600000000, -0.0122235600000000,  0.0045839300000000 ]  - [   0.0122235600000000, -0.0122235600000000,  0.0045839300000000 ]  - [  -0.0122235600000000,  0.0122235600000000,  0.0045839300000000 ]  - [   0.0122235600000000,  0.0122235600000000,  0.0045839300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018276400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021683700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021683700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023607800000000 ]  - [   0.0112994100000000,  0.0112994100000000, -0.0003337600000000 ]  - [  -0.0112994100000000,  0.0112994100000000, -0.0003337600000000 ]  - [   0.0112994100000000, -0.0112994100000000, -0.0003337600000000 ]  - [  -0.0112994100000000, -0.0112994100000000, -0.0003337600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027756700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027284600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027284600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027004700000000 ]  - [  -0.0001501300000000, -0.0001501300000000,  0.0023534600000000 ]  - [   0.0001501300000000, -0.0001501300000000,  0.0023534600000000 ]  - [  -0.0001501300000000,  0.0001501300000000,  0.0023534600000000 ]  - [   0.0001501300000000,  0.0001501300000000,  0.0023534600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074964600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074785800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074785800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074675400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0613132500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0092228500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0092228500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058939300000000 ]  - [   0.0000146600000000,  0.0000146600000000, -0.0015174700000000 ]  - [  -0.0000146600000000,  0.0000146600000000, -0.0015174700000000 ]  - [   0.0000146600000000, -0.0000146600000000, -0.0015174700000000 ]  - [  -0.0000146600000000, -0.0000146600000000, -0.0015174700000000 ]  - [   0.0000799900000000,  0.0000799900000000, -0.0020201200000000 ]  - [  -0.0000799900000000,  0.0000799900000000, -0.0020201200000000 ]  - [   0.0000799900000000, -0.0000799900000000, -0.0020201200000000 ]  - [  -0.0000799900000000, -0.0000799900000000, -0.0020201200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0105480900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011580100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011580100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002813700000000 ]  - [   0.0000024200000000,  0.0000024200000000, -0.0004028300000000 ]  - [  -0.0000024200000000,  0.0000024200000000, -0.0004028300000000 ]  - [   0.0000024200000000, -0.0000024200000000, -0.0004028300000000 ]  - [  -0.0000024200000000, -0.0000024200000000, -0.0004028300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0102418600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021831500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021831500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007683200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021869500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021394600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021394600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020854800000000 ]  - [  -0.0000009100000000, -0.0000009100000000, -0.0005659700000000 ]  - [   0.0000009100000000, -0.0000009100000000, -0.0005659700000000 ]  - [  -0.0000009100000000,  0.0000009100000000, -0.0005659700000000 ]  - [   0.0000009100000000,  0.0000009100000000, -0.0005659700000000 ]- atom:  113  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0005237700000000,  0.0000108300000000,  0.0020633400000000 ]  - [  -0.0005130100000000, -0.0000016600000000,  0.0020700700000000 ]  - [   0.0005237700000000, -0.0000108300000000,  0.0020633400000000 ]  - [  -0.0005130100000000,  0.0000016600000000,  0.0020700700000000 ]  - [  -0.0010518900000000, -0.0053541000000000, -0.0036628400000000 ]  - [  -0.0012407300000000,  0.0054624300000000,  0.0024330200000000 ]  - [  -0.0010518900000000,  0.0053541000000000, -0.0036628400000000 ]  - [  -0.0012407300000000, -0.0054624300000000,  0.0024330200000000 ]  - [   0.0069584800000000,  0.0000000000000000,  0.0005922400000000 ]  - [  -0.0030879400000000,  0.0000000000000000,  0.0006554000000000 ]  - [   0.0015988000000000,  0.0000000000000000,  0.0006268900000000 ]  - [  -0.0015958000000000,  0.0000000000000000,  0.0006287100000000 ]  - [   0.0000055300000000,  0.0000000000000000,  0.0000017700000000 ]  - [   0.0000042800000000,  0.0000000000000000, -0.0000034800000000 ]  - [   0.0000025800000000,  0.0000000000000000,  0.0000020700000000 ]  - [  -0.0000010700000000,  0.0000000000000000, -0.0000031900000000 ]  - [   0.0000028400000000,  0.0000003500000000, -0.0000011200000000 ]  - [  -0.0000035800000000,  0.0000013400000000, -0.0000003300000000 ]  - [   0.0000028400000000, -0.0000003500000000, -0.0000011200000000 ]  - [  -0.0000035800000000, -0.0000013400000000, -0.0000003300000000 ]  - [   0.0001501400000000,  0.0000000000000000,  0.0001605000000000 ]  - [  -0.0000463600000000,  0.0000000000000000,  0.0001773800000000 ]  - [   0.0000690500000000,  0.0000000000000000,  0.0001727100000000 ]  - [  -0.0000673100000000,  0.0000000000000000,  0.0001761600000000 ]  - [   0.0000676200000000, -0.0008227400000000, -0.0034118500000000 ]  - [   0.0000628500000000,  0.0008179000000000,  0.0030546600000000 ]  - [   0.0000676200000000,  0.0008227400000000, -0.0034118500000000 ]  - [   0.0000628500000000, -0.0008179000000000,  0.0030546600000000 ]  - [   0.0001036700000000,  0.0000000000000000,  0.0022159800000000 ]  - [   0.0000716800000000,  0.0000000000000000,  0.0019165800000000 ]  - [  -0.0000020300000000,  0.0000000000000000,  0.0023936800000000 ]  - [  -0.0000075600000000,  0.0000000000000000,  0.0017445800000000 ]  - [   0.0108031800000000, -0.0000081600000000, -0.0020654300000000 ]  - [  -0.0070391300000000, -0.0000077300000000, -0.0020727100000000 ]  - [   0.0108031800000000,  0.0000081600000000, -0.0020654300000000 ]  - [  -0.0070391300000000,  0.0000077300000000, -0.0020727100000000 ]  - [   0.0030986300000000,  0.0000000000000000, -0.0028484300000000 ]  - [   0.0027649500000000,  0.0000000000000000, -0.0010344100000000 ]  - [   0.0002707900000000,  0.0000000000000000, -0.0042023000000000 ]  - [   0.0002656700000000,  0.0000000000000000,  0.0000637900000000 ]  - [   0.0000000300000000,  0.0000000000000000,  0.0020056000000000 ]  - [  -0.0000000500000000,  0.0000000000000000,  0.0021281600000000 ]  - [  -0.0000000100000000,  0.0000000000000000,  0.0020059200000000 ]  - [  -0.0000000500000000,  0.0000000000000000,  0.0021274800000000 ]  - [   0.0000067300000000,  0.0000000000000000, -0.0006267900000000 ]  - [  -0.0000065800000000,  0.0000000000000000, -0.0006259700000000 ]  - [   0.0000065400000000,  0.0000000000000000, -0.0006258100000000 ]  - [  -0.0000066800000000,  0.0000000000000000, -0.0006261200000000 ]  - [   0.0000000200000000, -0.0000002900000000,  0.0005555200000000 ]  - [  -0.0000000200000000,  0.0000001200000000,  0.0006888300000000 ]  - [   0.0000000200000000,  0.0000002900000000,  0.0005555200000000 ]  - [  -0.0000000200000000, -0.0000001200000000,  0.0006888300000000 ]  - [   0.0007312200000000, -0.0000001200000000,  0.0000001000000000 ]  - [  -0.0007264300000000,  0.0000003500000000, -0.0000001700000000 ]  - [   0.0007312200000000,  0.0000001200000000,  0.0000001000000000 ]  - [  -0.0007264300000000, -0.0000003500000000, -0.0000001700000000 ]  - [  -0.0000027000000000,  0.0000000000000000, -0.0003689600000000 ]  - [  -0.0000018400000000,  0.0000000000000000,  0.0003673800000000 ]  - [  -0.0000018900000000,  0.0000000000000000, -0.0005030200000000 ]  - [  -0.0000028100000000,  0.0000000000000000,  0.0005004200000000 ]  - [   0.0000008900000000, -0.0000004500000000, -0.0003278900000000 ]  - [   0.0000007800000000,  0.0000004700000000,  0.0006731500000000 ]  - [   0.0000008900000000,  0.0000004500000000, -0.0003278900000000 ]  - [   0.0000007800000000, -0.0000004700000000,  0.0006731500000000 ]  - [   0.0000054000000000,  0.0000000000000000, -0.0001779900000000 ]  - [  -0.0000000900000000,  0.0000000000000000, -0.0001769200000000 ]  - [   0.0000014400000000,  0.0000000000000000, -0.0001774500000000 ]  - [  -0.0000014500000000,  0.0000000000000000, -0.0001758800000000 ]  - [   0.0001047800000000, -0.0000000500000000,  0.0020669100000000 ]  - [  -0.0001049500000000, -0.0000000500000000,  0.0020667300000000 ]  - [   0.0001047800000000,  0.0000000500000000,  0.0020669100000000 ]  - [  -0.0001049500000000,  0.0000000500000000,  0.0020667300000000 ]  - [   0.0000008700000000,  0.0000000000000000, -0.0020695200000000 ]  - [  -0.0000003200000000,  0.0000000000000000, -0.0020673800000000 ]  - [  -0.0000002300000000,  0.0000000000000000, -0.0020693500000000 ]  - [   0.0000001800000000,  0.0000000000000000, -0.0020672500000000 ]  - [   0.0000022300000000,  0.0000004400000000, -0.0020684400000000 ]  - [  -0.0000022600000000, -0.0000003600000000, -0.0020683100000000 ]  - [   0.0000022300000000, -0.0000004400000000, -0.0020684400000000 ]  - [  -0.0000022600000000,  0.0000003600000000, -0.0020683100000000 ]  - [  -0.0000074700000000,  0.0000000000000000,  0.0000070900000000 ]  - [  -0.0000010200000000,  0.0000000000000000,  0.0000015000000000 ]  - [  -0.0000054800000000,  0.0000000000000000,  0.0000028000000000 ]  - [   0.0000049700000000,  0.0000000000000000,  0.0000003800000000 ]  - [   0.0056832000000000,  0.0150854800000000,  0.0215837600000000 ]  - [   0.0056891200000000, -0.0149466900000000, -0.0118222400000000 ]  - [   0.0056832000000000, -0.0150854800000000,  0.0215837600000000 ]  - [   0.0056891200000000,  0.0149466900000000, -0.0118222400000000 ]  - [  -0.0006522800000000,  0.0000000000000000, -0.0047711100000000 ]  - [   0.0003838600000000,  0.0000000000000000, -0.0048475700000000 ]  - [  -0.0006214500000000,  0.0000000000000000, -0.0048257300000000 ]  - [   0.0006079800000000,  0.0000000000000000, -0.0048294900000000 ]  - [  -0.0000018100000000, -0.0000645700000000,  0.0018101200000000 ]  - [  -0.0000019900000000,  0.0000647100000000, -0.0018038400000000 ]  - [  -0.0000018100000000,  0.0000645700000000,  0.0018101200000000 ]  - [  -0.0000019900000000, -0.0000647100000000, -0.0018038400000000 ]  - [  -0.0000029100000000,  0.0000000000000000,  0.0048285000000000 ]  - [   0.0000024200000000,  0.0000000000000000,  0.0048272400000000 ]  - [  -0.0000022800000000,  0.0000000000000000,  0.0048279000000000 ]  - [   0.0000016800000000,  0.0000000000000000,  0.0048269200000000 ]  - [  -0.0000000200000000, -0.0000001700000000, -0.0045811600000000 ]  - [  -0.0000000300000000,  0.0000000700000000, -0.0050636600000000 ]  - [  -0.0000000200000000,  0.0000001700000000, -0.0045811600000000 ]  - [  -0.0000000300000000, -0.0000000700000000, -0.0050636600000000 ]  - [  -0.0000014800000000, -0.0000120100000000,  0.0004809300000000 ]  - [   0.0000038100000000,  0.0000108300000000,  0.0006419400000000 ]  - [  -0.0000014800000000,  0.0000120100000000,  0.0004809300000000 ]  - [   0.0000038100000000, -0.0000108300000000,  0.0006419400000000 ]  - [  -0.0033800100000000,  0.0000000000000000, -0.0005723900000000 ]  - [   0.0028141700000000,  0.0000000000000000, -0.0005584500000000 ]  - [  -0.0014070900000000,  0.0000000000000000, -0.0005646900000000 ]  - [   0.0013432400000000,  0.0000000000000000, -0.0005599100000000 ]  - [  -0.0605557900000000,  0.0000000000000000, -0.0011980700000000 ]  - [   0.0204635700000000,  0.0000000000000000, -0.0007439000000000 ]  - [  -0.0063498900000000,  0.0000000000000000, -0.0007548400000000 ]  - [   0.0052608500000000,  0.0000000000000000, -0.0007510600000000 ]  - [   0.0013795600000000,  0.0025907000000000, -0.0050326100000000 ]  - [   0.0014068100000000, -0.0025795600000000,  0.0065061400000000 ]  - [   0.0013795600000000, -0.0025907000000000, -0.0050326100000000 ]  - [   0.0014068100000000,  0.0025795600000000,  0.0065061400000000 ]  - [  -0.0002218700000000,  0.0000000000000000,  0.0005629800000000 ]  - [   0.0002203100000000,  0.0000000000000000,  0.0005616500000000 ]  - [  -0.0002300100000000,  0.0000000000000000,  0.0005622900000000 ]  - [   0.0002309100000000,  0.0000000000000000,  0.0005609400000000 ]  - [   0.0000005700000000,  0.0000012800000000, -0.0005608300000000 ]  - [  -0.0000004800000000, -0.0000003300000000, -0.0005601500000000 ]  - [   0.0000005700000000, -0.0000012800000000, -0.0005608300000000 ]  - [  -0.0000004800000000,  0.0000003300000000, -0.0005601500000000 ]  - [  -0.0000001800000000,  0.0000004300000000, -0.0007428500000000 ]  - [   0.0000001700000000, -0.0000007600000000, -0.0007645500000000 ]  - [  -0.0000001800000000, -0.0000004300000000, -0.0007428500000000 ]  - [   0.0000001700000000,  0.0000007600000000, -0.0007645500000000 ]  - [  -0.0000377600000000,  0.0000000000000000,  0.0007567900000000 ]  - [   0.0000379400000000,  0.0000000000000000,  0.0007561600000000 ]  - [  -0.0000377000000000,  0.0000000000000000,  0.0007560200000000 ]  - [   0.0000376200000000,  0.0000000000000000,  0.0007563900000000 ]- atom:  113  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0039913800000000, -0.0001014500000000 ]  - [   0.0000000000000000,  0.0009033200000000,  0.0019990800000000 ]  - [   0.0000000000000000, -0.0039913800000000, -0.0001014500000000 ]  - [   0.0000000000000000, -0.0009033200000000,  0.0019990800000000 ]  - [   0.0009915100000000,  0.0009915100000000,  0.0138279600000000 ]  - [  -0.0009915100000000,  0.0009915100000000,  0.0138279600000000 ]  - [   0.0009915100000000, -0.0009915100000000,  0.0138279600000000 ]  - [  -0.0009915100000000, -0.0009915100000000,  0.0138279600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0150247300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042851900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042851900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047118000000000 ]  - [   0.0002107200000000,  0.0000000000000000, -0.0011516400000000 ]  - [  -0.0002107200000000,  0.0000000000000000, -0.0011516400000000 ]  - [   0.0001771600000000,  0.0000000000000000, -0.0009153600000000 ]  - [  -0.0001771600000000,  0.0000000000000000, -0.0009153600000000 ]  - [   0.0000000000000000,  0.0002107200000000, -0.0011516400000000 ]  - [   0.0000000000000000,  0.0001771600000000, -0.0009153600000000 ]  - [   0.0000000000000000, -0.0002107200000000, -0.0011516400000000 ]  - [   0.0000000000000000, -0.0001771600000000, -0.0009153600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048818800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024300500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024300500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011447700000000 ]  - [  -0.0008489700000000, -0.0008489700000000, -0.0017332800000000 ]  - [   0.0008489700000000, -0.0008489700000000, -0.0017332800000000 ]  - [  -0.0008489700000000,  0.0008489700000000, -0.0017332800000000 ]  - [   0.0008489700000000,  0.0008489700000000, -0.0017332800000000 ]  - [   0.0039913800000000,  0.0000000000000000, -0.0001014500000000 ]  - [  -0.0039913800000000,  0.0000000000000000, -0.0001014500000000 ]  - [   0.0009033200000000,  0.0000000000000000,  0.0019990800000000 ]  - [  -0.0009033200000000,  0.0000000000000000,  0.0019990800000000 ]  - [   0.0000000000000000, -0.0016465300000000,  0.0029522300000000 ]  - [   0.0000000000000000, -0.0016290100000000,  0.0001579600000000 ]  - [   0.0000000000000000,  0.0016465300000000,  0.0029522300000000 ]  - [   0.0000000000000000,  0.0016290100000000,  0.0001579600000000 ]  - [  -0.0016465300000000,  0.0000000000000000,  0.0029522300000000 ]  - [   0.0016465300000000,  0.0000000000000000,  0.0029522300000000 ]  - [  -0.0016290100000000,  0.0000000000000000,  0.0001579600000000 ]  - [   0.0016290100000000,  0.0000000000000000,  0.0001579600000000 ]  - [  -0.0000005000000000,  0.0000000000000000,  0.0010315800000000 ]  - [   0.0000005000000000,  0.0000000000000000,  0.0010315800000000 ]  - [  -0.0000016600000000,  0.0000000000000000,  0.0010352600000000 ]  - [   0.0000016600000000,  0.0000000000000000,  0.0010352600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032307100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031864100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031864100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031554300000000 ]  - [   0.0000012700000000,  0.0000012700000000, -0.0019369200000000 ]  - [  -0.0000012700000000,  0.0000012700000000, -0.0019369200000000 ]  - [   0.0000012700000000, -0.0000012700000000, -0.0019369200000000 ]  - [  -0.0000012700000000, -0.0000012700000000, -0.0019369200000000 ]  - [   0.0000000000000000, -0.0001870600000000, -0.0012047300000000 ]  - [   0.0000000000000000, -0.0000908500000000, -0.0010081800000000 ]  - [   0.0000000000000000,  0.0001870600000000, -0.0012047300000000 ]  - [   0.0000000000000000,  0.0000908500000000, -0.0010081800000000 ]  - [  -0.0001870600000000,  0.0000000000000000, -0.0012047300000000 ]  - [   0.0001870600000000,  0.0000000000000000, -0.0012047300000000 ]  - [  -0.0000908500000000,  0.0000000000000000, -0.0010081800000000 ]  - [   0.0000908500000000,  0.0000000000000000, -0.0010081800000000 ]  - [  -0.0000205700000000, -0.0000205700000000, -0.0027070000000000 ]  - [   0.0000205700000000, -0.0000205700000000, -0.0027070000000000 ]  - [  -0.0000205700000000,  0.0000205700000000, -0.0027070000000000 ]  - [   0.0000205700000000,  0.0000205700000000, -0.0027070000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034446900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031027800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031027800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028728100000000 ]  - [   0.0000000000000000, -0.0000005000000000,  0.0010315800000000 ]  - [   0.0000000000000000, -0.0000016600000000,  0.0010352600000000 ]  - [   0.0000000000000000,  0.0000005000000000,  0.0010315800000000 ]  - [   0.0000000000000000,  0.0000016600000000,  0.0010352600000000 ]  - [   0.0000330400000000,  0.0000000000000000, -0.0031127700000000 ]  - [  -0.0000330400000000,  0.0000000000000000, -0.0031127700000000 ]  - [   0.0000260900000000,  0.0000000000000000, -0.0030787900000000 ]  - [  -0.0000260900000000,  0.0000000000000000, -0.0030787900000000 ]  - [   0.0000000000000000,  0.0000330400000000, -0.0031127700000000 ]  - [   0.0000000000000000,  0.0000260900000000, -0.0030787900000000 ]  - [   0.0000000000000000, -0.0000330400000000, -0.0031127700000000 ]  - [   0.0000000000000000, -0.0000260900000000, -0.0030787900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047365600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037102700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037102700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028510500000000 ]  - [   0.0139367500000000,  0.0139367500000000,  0.0007854800000000 ]  - [  -0.0139367500000000,  0.0139367500000000,  0.0007854800000000 ]  - [   0.0139367500000000, -0.0139367500000000,  0.0007854800000000 ]  - [  -0.0139367500000000, -0.0139367500000000,  0.0007854800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0160945600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047572900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047572900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060623700000000 ]  - [   0.0001859500000000,  0.0001859500000000,  0.0035352700000000 ]  - [  -0.0001859500000000,  0.0001859500000000,  0.0035352700000000 ]  - [   0.0001859500000000, -0.0001859500000000,  0.0035352700000000 ]  - [  -0.0001859500000000, -0.0001859500000000,  0.0035352700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085890300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084428800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084428800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083192000000000 ]  - [   0.0000018200000000,  0.0000018200000000, -0.0012102600000000 ]  - [  -0.0000018200000000,  0.0000018200000000, -0.0012102600000000 ]  - [   0.0000018200000000, -0.0000018200000000, -0.0012102600000000 ]  - [  -0.0000018200000000, -0.0000018200000000, -0.0012102600000000 ]  - [  -0.0004520200000000, -0.0004520200000000,  0.0018193800000000 ]  - [   0.0004520200000000, -0.0004520200000000,  0.0018193800000000 ]  - [  -0.0004520200000000,  0.0004520200000000,  0.0018193800000000 ]  - [   0.0004520200000000,  0.0004520200000000,  0.0018193800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0109044200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013473700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013473700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000906200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0960241000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0096819300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0096819300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058698100000000 ]  - [  -0.0057374600000000, -0.0057374600000000,  0.0012765200000000 ]  - [   0.0057374600000000, -0.0057374600000000,  0.0012765200000000 ]  - [  -0.0057374600000000,  0.0057374600000000,  0.0012765200000000 ]  - [   0.0057374600000000,  0.0057374600000000,  0.0012765200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019906000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019405400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019405400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018844400000000 ]  - [  -0.0000606200000000, -0.0000606200000000,  0.0007587400000000 ]  - [   0.0000606200000000, -0.0000606200000000,  0.0007587400000000 ]  - [  -0.0000606200000000,  0.0000606200000000,  0.0007587400000000 ]  - [   0.0000606200000000,  0.0000606200000000,  0.0007587400000000 ]  - [  -0.0000105800000000, -0.0000105800000000,  0.0010574300000000 ]  - [   0.0000105800000000, -0.0000105800000000,  0.0010574300000000 ]  - [  -0.0000105800000000,  0.0000105800000000,  0.0010574300000000 ]  - [   0.0000105800000000,  0.0000105800000000,  0.0010574300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025641700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025569100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025569100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025512000000000 ]- atom:  113  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0040225300000000,  0.0042608200000000 ]  - [   0.0000000000000000, -0.0009084500000000,  0.0021354700000000 ]  - [   0.0000000000000000,  0.0040225300000000,  0.0042608200000000 ]  - [   0.0000000000000000,  0.0009084500000000,  0.0021354700000000 ]  - [  -0.0009616700000000, -0.0009616700000000, -0.0151042400000000 ]  - [   0.0009616700000000, -0.0009616700000000, -0.0151042400000000 ]  - [  -0.0009616700000000,  0.0009616700000000, -0.0151042400000000 ]  - [   0.0009616700000000,  0.0009616700000000, -0.0151042400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0153623800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030672300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030672300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035013000000000 ]  - [  -0.0002092100000000,  0.0000000000000000,  0.0011579600000000 ]  - [   0.0002092100000000,  0.0000000000000000,  0.0011579600000000 ]  - [  -0.0001782700000000,  0.0000000000000000,  0.0009197200000000 ]  - [   0.0001782700000000,  0.0000000000000000,  0.0009197200000000 ]  - [   0.0000000000000000, -0.0002092100000000,  0.0011579600000000 ]  - [   0.0000000000000000, -0.0001782700000000,  0.0009197200000000 ]  - [   0.0000000000000000,  0.0002092100000000,  0.0011579600000000 ]  - [   0.0000000000000000,  0.0001782700000000,  0.0009197200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052367900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027966200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027966200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015007400000000 ]  - [   0.0008439300000000,  0.0008439300000000,  0.0014087700000000 ]  - [  -0.0008439300000000,  0.0008439300000000,  0.0014087700000000 ]  - [   0.0008439300000000, -0.0008439300000000,  0.0014087700000000 ]  - [  -0.0008439300000000, -0.0008439300000000,  0.0014087700000000 ]  - [  -0.0040225300000000,  0.0000000000000000,  0.0042608200000000 ]  - [   0.0040225300000000,  0.0000000000000000,  0.0042608200000000 ]  - [  -0.0009084500000000,  0.0000000000000000,  0.0021354700000000 ]  - [   0.0009084500000000,  0.0000000000000000,  0.0021354700000000 ]  - [   0.0000000000000000,  0.0018949300000000, -0.0068234800000000 ]  - [   0.0000000000000000,  0.0016279000000000, -0.0042870500000000 ]  - [   0.0000000000000000, -0.0018949300000000, -0.0068234800000000 ]  - [   0.0000000000000000, -0.0016279000000000, -0.0042870500000000 ]  - [   0.0018949300000000,  0.0000000000000000, -0.0068234800000000 ]  - [  -0.0018949300000000,  0.0000000000000000, -0.0068234800000000 ]  - [   0.0016279000000000,  0.0000000000000000, -0.0042870500000000 ]  - [  -0.0016279000000000,  0.0000000000000000, -0.0042870500000000 ]  - [   0.0000001600000000,  0.0000000000000000,  0.0031093600000000 ]  - [  -0.0000001600000000,  0.0000000000000000,  0.0031093600000000 ]  - [   0.0000013400000000,  0.0000000000000000,  0.0031054000000000 ]  - [  -0.0000013400000000,  0.0000000000000000,  0.0031054000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019958400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019523100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019523100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019195600000000 ]  - [  -0.0000014300000000, -0.0000014300000000,  0.0031978700000000 ]  - [   0.0000014300000000, -0.0000014300000000,  0.0031978700000000 ]  - [  -0.0000014300000000,  0.0000014300000000,  0.0031978700000000 ]  - [   0.0000014300000000,  0.0000014300000000,  0.0031978700000000 ]  - [   0.0000000000000000,  0.0001830500000000,  0.0012094000000000 ]  - [   0.0000000000000000,  0.0000923600000000,  0.0010154400000000 ]  - [   0.0000000000000000, -0.0001830500000000,  0.0012094000000000 ]  - [   0.0000000000000000, -0.0000923600000000,  0.0010154400000000 ]  - [   0.0001830500000000,  0.0000000000000000,  0.0012094000000000 ]  - [  -0.0001830500000000,  0.0000000000000000,  0.0012094000000000 ]  - [   0.0000923600000000,  0.0000000000000000,  0.0010154400000000 ]  - [  -0.0000923600000000,  0.0000000000000000,  0.0010154400000000 ]  - [   0.0000207100000000,  0.0000207100000000,  0.0030718700000000 ]  - [  -0.0000207100000000,  0.0000207100000000,  0.0030718700000000 ]  - [   0.0000207100000000, -0.0000207100000000,  0.0030718700000000 ]  - [  -0.0000207100000000, -0.0000207100000000,  0.0030718700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031115300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027698400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027698400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025380100000000 ]  - [   0.0000000000000000,  0.0000001600000000,  0.0031093600000000 ]  - [   0.0000000000000000,  0.0000013400000000,  0.0031054000000000 ]  - [   0.0000000000000000, -0.0000001600000000,  0.0031093600000000 ]  - [   0.0000000000000000, -0.0000013400000000,  0.0031054000000000 ]  - [  -0.0000314100000000,  0.0000000000000000, -0.0010164400000000 ]  - [   0.0000314100000000,  0.0000000000000000, -0.0010164400000000 ]  - [  -0.0000269300000000,  0.0000000000000000, -0.0010502800000000 ]  - [   0.0000269300000000,  0.0000000000000000, -0.0010502800000000 ]  - [   0.0000000000000000, -0.0000314100000000, -0.0010164400000000 ]  - [   0.0000000000000000, -0.0000269300000000, -0.0010502800000000 ]  - [   0.0000000000000000,  0.0000314100000000, -0.0010164400000000 ]  - [   0.0000000000000000,  0.0000269300000000, -0.0010502800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047565400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037350700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037350700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028666700000000 ]  - [  -0.0138694800000000, -0.0138694800000000,  0.0088222800000000 ]  - [   0.0138694800000000, -0.0138694800000000,  0.0088222800000000 ]  - [  -0.0138694800000000,  0.0138694800000000,  0.0088222800000000 ]  - [   0.0138694800000000,  0.0138694800000000,  0.0088222800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0259545000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048929700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048929700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035741600000000 ]  - [  -0.0001824500000000, -0.0001824500000000, -0.0035567800000000 ]  - [   0.0001824500000000, -0.0001824500000000, -0.0035567800000000 ]  - [  -0.0001824500000000,  0.0001824500000000, -0.0035567800000000 ]  - [   0.0001824500000000,  0.0001824500000000, -0.0035567800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010397700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011888500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011888500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013141400000000 ]  - [  -0.0000013100000000, -0.0000013100000000, -0.0084597900000000 ]  - [   0.0000013100000000, -0.0000013100000000, -0.0084597900000000 ]  - [  -0.0000013100000000,  0.0000013100000000, -0.0084597900000000 ]  - [   0.0000013100000000,  0.0000013100000000, -0.0084597900000000 ]  - [   0.0004545600000000,  0.0004545600000000, -0.0007066700000000 ]  - [  -0.0004545600000000,  0.0004545600000000, -0.0007066700000000 ]  - [   0.0004545600000000, -0.0004545600000000, -0.0007066700000000 ]  - [  -0.0004545600000000, -0.0004545600000000, -0.0007066700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0118714900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024821500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024821500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010384100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0952263900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0082065900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0082065900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043946400000000 ]  - [   0.0058002600000000,  0.0058002600000000,  0.0002303100000000 ]  - [  -0.0058002600000000,  0.0058002600000000,  0.0002303100000000 ]  - [   0.0058002600000000, -0.0058002600000000,  0.0002303100000000 ]  - [  -0.0058002600000000, -0.0058002600000000,  0.0002303100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008728200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008263100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008263100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007734500000000 ]  - [   0.0000612700000000,  0.0000612700000000, -0.0018879300000000 ]  - [  -0.0000612700000000,  0.0000612700000000, -0.0018879300000000 ]  - [   0.0000612700000000, -0.0000612700000000, -0.0018879300000000 ]  - [  -0.0000612700000000, -0.0000612700000000, -0.0018879300000000 ]  - [   0.0000107200000000,  0.0000107200000000, -0.0025704800000000 ]  - [  -0.0000107200000000,  0.0000107200000000, -0.0025704800000000 ]  - [   0.0000107200000000, -0.0000107200000000, -0.0025704800000000 ]  - [  -0.0000107200000000, -0.0000107200000000, -0.0025704800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010705900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010630300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010630300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010559900000000 ]