# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4742e42b-618b-485a-ba43-49b87960678e/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 KLiBeF4 / P6_3 (173) / materials id 6253](https://mdr.nims.go.jp/datasets/52cbf1b7-16cc-4225-9eed-2bbdf8a315b2)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3"  number: 173  Hall_symbol: "P 6c"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.049666830000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.524833410000000,     4.373139750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.624990380000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.696858370000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.196858370000000 ]    mass: 6.941000  - symbol: Be # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.804342450000000 ]    mass: 9.012182  - symbol: Be # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.304342450000000 ]    mass: 9.012182  - symbol: F  # 5    coordinates: [  0.335873710000000,  0.375315870000000,  0.748703370000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.960557830000000,  0.335873710000000,  0.248703370000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.985055920000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.485055920000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.039442170000000,  0.664126290000000,  0.748703370000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.664126290000000,  0.624684130000000,  0.248703370000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.375315870000000,  0.039442170000000,  0.248703370000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.624684130000000,  0.960557830000000,  0.748703370000000 ]    mass: 18.998403  - symbol: K  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.501633190000000 ]    mass: 39.098300  - symbol: K  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.001633190000000 ]    mass: 39.098300  reciprocal_lattice: # without 2pi  - [     0.198032867051548,     0.114334329016089,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.228668658485016,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.115942158303022 ] # c*unit_cell:  lattice:  - [     5.049666830000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.524833410000000,     4.373139750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.624990380000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.696858370000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.196858370000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Be # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.804342450000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.304342450000000 ]    mass: 9.012182    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.335873710000000,  0.375315870000000,  0.748703370000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.960557830000000,  0.335873710000000,  0.248703370000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.985055920000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.485055920000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.039442170000000,  0.664126290000000,  0.748703370000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.664126290000000,  0.624684130000000,  0.248703370000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.375315870000000,  0.039442170000000,  0.248703370000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.624684130000000,  0.960557830000000,  0.748703370000000 ]    mass: 18.998403    reduced_to: 12  - symbol: K  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.501633190000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.001633190000000 ]    mass: 39.098300    reduced_to: 14supercell:  lattice:  - [    10.099333659999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.049666820000000,     8.746279500000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.249980760000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.333333335000000,  0.166666665000000,  0.348429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.833333335000000,  0.166666665000000,  0.348429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.333333335000000,  0.666666665000000,  0.348429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.833333335000000,  0.666666665000000,  0.348429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.333333335000000,  0.166666665000000,  0.848429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.833333335000000,  0.166666665000000,  0.848429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.333333335000000,  0.666666665000000,  0.848429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.833333335000000,  0.666666665000000,  0.848429185000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.166666665000000,  0.333333335000000,  0.098429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.666666665000000,  0.333333335000000,  0.098429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.166666665000000,  0.833333335000000,  0.098429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.666666665000000,  0.833333335000000,  0.098429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 13    coordinates: [  0.166666665000000,  0.333333335000000,  0.598429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 14    coordinates: [  0.666666665000000,  0.333333335000000,  0.598429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 15    coordinates: [  0.166666665000000,  0.833333335000000,  0.598429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 16    coordinates: [  0.666666665000000,  0.833333335000000,  0.598429185000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Be # 17    coordinates: [  0.166666665000000,  0.333333335000000,  0.402171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 18    coordinates: [  0.666666665000000,  0.333333335000000,  0.402171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 19    coordinates: [  0.166666665000000,  0.833333335000000,  0.402171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 20    coordinates: [  0.666666665000000,  0.833333335000000,  0.402171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 21    coordinates: [  0.166666665000000,  0.333333335000000,  0.902171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 22    coordinates: [  0.666666665000000,  0.333333335000000,  0.902171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 23    coordinates: [  0.166666665000000,  0.833333335000000,  0.902171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 24    coordinates: [  0.666666665000000,  0.833333335000000,  0.902171225000000 ]    mass: 9.012182    reduced_to: 17  - symbol: Be # 25    coordinates: [  0.333333335000000,  0.166666665000000,  0.152171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 26    coordinates: [  0.833333335000000,  0.166666665000000,  0.152171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 27    coordinates: [  0.333333335000000,  0.666666665000000,  0.152171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 28    coordinates: [  0.833333335000000,  0.666666665000000,  0.152171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 29    coordinates: [  0.333333335000000,  0.166666665000000,  0.652171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 30    coordinates: [  0.833333335000000,  0.166666665000000,  0.652171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 31    coordinates: [  0.333333335000000,  0.666666665000000,  0.652171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: Be # 32    coordinates: [  0.833333335000000,  0.666666665000000,  0.652171225000000 ]    mass: 9.012182    reduced_to: 25  - symbol: F  # 33    coordinates: [  0.167936855000000,  0.187657935000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.667936855000000,  0.187657935000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.167936855000000,  0.687657935000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 36    coordinates: [  0.667936855000000,  0.687657935000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 37    coordinates: [  0.167936855000000,  0.187657935000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 38    coordinates: [  0.667936855000000,  0.187657935000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 39    coordinates: [  0.167936855000000,  0.687657935000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 40    coordinates: [  0.667936855000000,  0.687657935000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 41    coordinates: [  0.480278915000000,  0.167936855000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.980278915000000,  0.167936855000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 43    coordinates: [  0.480278915000000,  0.667936855000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 44    coordinates: [  0.980278915000000,  0.667936855000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 45    coordinates: [  0.480278915000000,  0.167936855000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 46    coordinates: [  0.980278915000000,  0.167936855000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 47    coordinates: [  0.480278915000000,  0.667936855000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 48    coordinates: [  0.980278915000000,  0.667936855000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 49    coordinates: [  0.166666665000000,  0.333333335000000,  0.492527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.666666665000000,  0.333333335000000,  0.492527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 51    coordinates: [  0.166666665000000,  0.833333335000000,  0.492527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 52    coordinates: [  0.666666665000000,  0.833333335000000,  0.492527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 53    coordinates: [  0.166666665000000,  0.333333335000000,  0.992527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 54    coordinates: [  0.666666665000000,  0.333333335000000,  0.992527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 55    coordinates: [  0.166666665000000,  0.833333335000000,  0.992527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 56    coordinates: [  0.666666665000000,  0.833333335000000,  0.992527960000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 57    coordinates: [  0.333333335000000,  0.166666665000000,  0.242527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 58    coordinates: [  0.833333335000000,  0.166666665000000,  0.242527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 59    coordinates: [  0.333333335000000,  0.666666665000000,  0.242527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 60    coordinates: [  0.833333335000000,  0.666666665000000,  0.242527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 61    coordinates: [  0.333333335000000,  0.166666665000000,  0.742527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 62    coordinates: [  0.833333335000000,  0.166666665000000,  0.742527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 63    coordinates: [  0.333333335000000,  0.666666665000000,  0.742527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 64    coordinates: [  0.833333335000000,  0.666666665000000,  0.742527960000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 65    coordinates: [  0.019721085000000,  0.332063145000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 66    coordinates: [  0.519721085000000,  0.332063145000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 67    coordinates: [  0.019721085000000,  0.832063145000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 68    coordinates: [  0.519721085000000,  0.832063145000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 69    coordinates: [  0.019721085000000,  0.332063145000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 70    coordinates: [  0.519721085000000,  0.332063145000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 71    coordinates: [  0.019721085000000,  0.832063145000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 72    coordinates: [  0.519721085000000,  0.832063145000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 73    coordinates: [  0.332063145000000,  0.312342065000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 74    coordinates: [  0.832063145000000,  0.312342065000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 75    coordinates: [  0.332063145000000,  0.812342065000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 76    coordinates: [  0.832063145000000,  0.812342065000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 77    coordinates: [  0.332063145000000,  0.312342065000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 78    coordinates: [  0.832063145000000,  0.312342065000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 79    coordinates: [  0.332063145000000,  0.812342065000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 80    coordinates: [  0.832063145000000,  0.812342065000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 81    coordinates: [  0.187657935000000,  0.019721085000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 82    coordinates: [  0.687657935000000,  0.019721085000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 83    coordinates: [  0.187657935000000,  0.519721085000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 84    coordinates: [  0.687657935000000,  0.519721085000000,  0.124351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 85    coordinates: [  0.187657935000000,  0.019721085000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 86    coordinates: [  0.687657935000000,  0.019721085000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 87    coordinates: [  0.187657935000000,  0.519721085000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 88    coordinates: [  0.687657935000000,  0.519721085000000,  0.624351685000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 89    coordinates: [  0.312342065000000,  0.480278915000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 90    coordinates: [  0.812342065000000,  0.480278915000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 91    coordinates: [  0.312342065000000,  0.980278915000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 92    coordinates: [  0.812342065000000,  0.980278915000000,  0.374351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 93    coordinates: [  0.312342065000000,  0.480278915000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 94    coordinates: [  0.812342065000000,  0.480278915000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 95    coordinates: [  0.312342065000000,  0.980278915000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 96    coordinates: [  0.812342065000000,  0.980278915000000,  0.874351685000000 ]    mass: 18.998403    reduced_to: 89  - symbol: K  # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.250816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.250816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.250816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.250816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.750816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.750816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.750816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.750816595000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 105    coordinates: [  0.000000000000000,  0.000000000000000,  0.000816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 106    coordinates: [  0.500000000000000,  0.000000000000000,  0.000816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 107    coordinates: [  0.000000000000000,  0.500000000000000,  0.000816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 108    coordinates: [  0.500000000000000,  0.500000000000000,  0.000816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.500816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 110    coordinates: [  0.500000000000000,  0.000000000000000,  0.500816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 111    coordinates: [  0.000000000000000,  0.500000000000000,  0.500816595000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 112    coordinates: [  0.500000000000000,  0.500000000000000,  0.500816595000000 ]    mass: 39.098300    reduced_to: 105born_effective_charge:- # 1 (Li)  - [  1.011043820000000,  0.020258350000000,  0.000000000000000 ]  - [ -0.020258350000000,  1.011043820000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.956143240000000 ]- # 2 (Li)  - [  1.011043820056518,  0.020258349982344,  0.000000000000000 ]  - [ -0.020258350017656,  1.011043819943482,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.956143240000000 ]- # 3 (Be)  - [  1.715596410000000,  0.007983850000000,  0.000000000000000 ]  - [ -0.007983850000000,  1.715596410000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.641988800000000 ]- # 4 (Be)  - [  1.715596410022274,  0.007983849993042,  0.000000000000000 ]  - [ -0.007983850006958,  1.715596409977726,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.641988800000000 ]- # 5 (F)  - [ -0.953983560000000,  0.159492470000000,  0.107645200000000 ]  - [  0.171981150000000, -1.079302890000000, -0.130247910000000 ]  - [  0.119287600000000, -0.130496760000000, -0.846804390000000 ]- # 6 (F)  - [ -1.191505345306192, -0.034847883329937,  0.166620598603246 ]  - [ -0.022359203269202, -0.841781104693808,  0.028099522782192 ]  - [  0.172657309529940,  0.038057711957474, -0.846804390000000 ]- # 7 (F)  - [ -0.797603420000000, -0.002680010000000,  0.000000000000000 ]  - [  0.002680010000000, -0.797603420000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.319393300000000 ]- # 8 (F)  - [ -0.797603420007477, -0.002680009997664,  0.000000000000000 ]  - [  0.002680010002336, -0.797603419992523,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.319393300000000 ]- # 9 (F)  - [ -1.191505345306192, -0.034847883329937, -0.166620598603246 ]  - [ -0.022359203269202, -0.841781104693808, -0.028099522782192 ]  - [ -0.172657309529940, -0.038057711957474, -0.846804390000000 ]- # 10 (F)  - [ -0.953983560000000,  0.159492470000000, -0.107645200000000 ]  - [  0.171981150000000, -1.079302890000000,  0.130247910000000 ]  - [ -0.119287600000000,  0.130496760000000, -0.846804390000000 ]- # 11 (F)  - [ -0.904440769715226, -0.143377606244635, -0.058975398603246 ]  - [ -0.130888927109726, -1.128845680284774, -0.158347432782192 ]  - [ -0.053369709529940, -0.168554471957473, -0.846804390000000 ]- # 12 (F)  - [ -0.904440769715226, -0.143377606244635,  0.058975398603246 ]  - [ -0.130888927109726, -1.128845680284774,  0.158347432782192 ]  - [  0.053369709529940,  0.168554471957473, -0.846804390000000 ]- # 13 (K)  - [  1.120892870000000, -0.006829170000000,  0.000000000000000 ]  - [  0.006829170000000,  1.120892870000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.261674440000000 ]- # 14 (K)  - [  1.120892869980948, -0.006829169994048,  0.000000000000000 ]  - [  0.006829170005952,  1.120892870019053,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.261674440000000 ]dielectric_constant:  - [  1.840284640000000, -0.000000420000000,  0.000000000000000 ]  - [  0.000000420000000,  1.840284640000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.852109440000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0589065800000000, -0.0002644300000000, -0.0004615600000000 ]  - [   0.0027919300000000,  0.0001224400000000, -0.0000253600000000 ]  - [   0.0004452900000000, -0.0014197700000000,  0.0002384200000000 ]  - [   0.0002792900000000,  0.0013783800000000, -0.0001271400000000 ]  - [  -0.0000125400000000,  0.0000271000000000,  0.0000286000000000 ]  - [   0.0000548800000000,  0.0000268500000000,  0.0000252900000000 ]  - [   0.0000214100000000,  0.0000078100000000,  0.0000269100000000 ]  - [   0.0000214300000000,  0.0000463400000000,  0.0000344500000000 ]  - [  -0.0000221400000000, -0.0001827000000000,  0.0003226200000000 ]  - [   0.0000453700000000,  0.0000960500000000, -0.0002491400000000 ]  - [  -0.0002308700000000,  0.0000205300000000,  0.0000085800000000 ]  - [   0.0001833700000000, -0.0000397500000000,  0.0000267000000000 ]  - [  -0.0000240500000000, -0.0001902600000000, -0.0008848400000000 ]  - [   0.0000468400000000,  0.0000889300000000,  0.0007976900000000 ]  - [  -0.0002304900000000,  0.0000118700000000,  0.0001699400000000 ]  - [   0.0001832700000000, -0.0000138900000000,  0.0000277800000000 ]  - [   0.0072143200000000, -0.0088531400000000, -0.0039460000000000 ]  - [   0.0069769900000000,  0.0045290700000000,  0.0032687300000000 ]  - [  -0.0044431500000000, -0.0023899300000000,  0.0007714300000000 ]  - [   0.0011324000000000,  0.0007963500000000,  0.0000247500000000 ]  - [   0.0000042000000000, -0.0000284600000000,  0.0000717500000000 ]  - [  -0.0000009800000000,  0.0000147800000000, -0.0000213300000000 ]  - [  -0.0000356400000000, -0.0000107200000000,  0.0000224600000000 ]  - [   0.0000399900000000,  0.0000092700000000,  0.0000238500000000 ]  - [  -0.0008442300000000, -0.0000271700000000,  0.0000448100000000 ]  - [   0.0008429100000000,  0.0000485500000000,  0.0000800800000000 ]  - [   0.0000182200000000, -0.0004650700000000, -0.0000208600000000 ]  - [  -0.0000136300000000,  0.0005047300000000,  0.0000056400000000 ]  - [  -0.0006842600000000,  0.0000314700000000,  0.0000229900000000 ]  - [   0.0006420100000000, -0.0000035800000000, -0.0000069200000000 ]  - [  -0.0000202500000000, -0.0003850300000000,  0.0000012500000000 ]  - [  -0.0000193300000000,  0.0003790700000000,  0.0000776100000000 ]  - [   0.0254458000000000, -0.0007167300000000, -0.0049495800000000 ]  - [  -0.0037914500000000, -0.0001373700000000, -0.0005318200000000 ]  - [   0.0000883200000000,  0.0013350500000000, -0.0000451700000000 ]  - [   0.0001571900000000, -0.0007871600000000, -0.0000090500000000 ]  - [   0.0000687500000000, -0.0000180100000000, -0.0000131600000000 ]  - [   0.0000350800000000, -0.0000295800000000,  0.0000059400000000 ]  - [   0.0000577000000000, -0.0000195400000000, -0.0000042600000000 ]  - [   0.0000478400000000, -0.0000304100000000, -0.0000047300000000 ]  - [   0.0006239700000000,  0.0000145300000000,  0.0001559300000000 ]  - [  -0.0003575900000000,  0.0001302100000000, -0.0003232000000000 ]  - [   0.0000381200000000,  0.0001277700000000,  0.0000398800000000 ]  - [   0.0001065500000000, -0.0000360400000000, -0.0000256500000000 ]  - [   0.0004316200000000,  0.0000859700000000, -0.0004389200000000 ]  - [  -0.0003407500000000,  0.0000154500000000,  0.0004044600000000 ]  - [   0.0001101100000000,  0.0001329300000000, -0.0000401600000000 ]  - [   0.0000749200000000, -0.0000179000000000, -0.0000607100000000 ]  - [  -0.0009686100000000,  0.0016266700000000,  0.0029255100000000 ]  - [  -0.0009952600000000, -0.0006509400000000, -0.0020937600000000 ]  - [   0.0009848900000000,  0.0004626200000000, -0.0007948800000000 ]  - [  -0.0004503200000000, -0.0001564400000000,  0.0000122400000000 ]  - [   0.0000054900000000,  0.0000343800000000, -0.0000622600000000 ]  - [  -0.0000089600000000, -0.0000268300000000,  0.0000838700000000 ]  - [   0.0000515400000000, -0.0000098700000000,  0.0000159200000000 ]  - [  -0.0000511600000000,  0.0000019300000000,  0.0000131700000000 ]  - [   0.0046603300000000, -0.0000020300000000,  0.0000946200000000 ]  - [  -0.0011707400000000, -0.0000135500000000, -0.0000107400000000 ]  - [  -0.0000717400000000,  0.0006372700000000, -0.0000980400000000 ]  - [  -0.0000576000000000, -0.0006387400000000,  0.0001538800000000 ]  - [   0.0001252800000000, -0.0000039500000000,  0.0000136500000000 ]  - [  -0.0001196300000000,  0.0000011400000000,  0.0000294500000000 ]  - [   0.0000050600000000,  0.0000729000000000,  0.0000195800000000 ]  - [   0.0000050500000000, -0.0000710000000000, -0.0000103900000000 ]  - [  -0.0035252500000000,  0.0011494500000000, -0.0000965800000000 ]  - [   0.0121909200000000,  0.0106680300000000,  0.0032673800000000 ]  - [   0.0014857700000000, -0.0016283800000000,  0.0003956100000000 ]  - [  -0.0008964900000000,  0.0005747000000000, -0.0001914100000000 ]  - [  -0.0000895400000000, -0.0000487300000000, -0.0000233500000000 ]  - [  -0.0000441300000000, -0.0000582700000000, -0.0000072600000000 ]  - [  -0.0000460300000000, -0.0000707300000000, -0.0000162800000000 ]  - [  -0.0000877200000000, -0.0000433000000000, -0.0000149500000000 ]  - [   0.0002941300000000, -0.0000407400000000, -0.0000720600000000 ]  - [  -0.0003286000000000,  0.0000503100000000,  0.0000618800000000 ]  - [   0.0000119900000000,  0.0003030300000000,  0.0002086200000000 ]  - [  -0.0001281300000000, -0.0003087700000000, -0.0002179700000000 ]  - [   0.0003659800000000,  0.0000130700000000,  0.0002374700000000 ]  - [  -0.0004206400000000,  0.0000800400000000, -0.0001966100000000 ]  - [  -0.0000378500000000,  0.0002655500000000, -0.0001942300000000 ]  - [  -0.0000947100000000, -0.0002605800000000,  0.0001810300000000 ]  - [   0.0004290900000000,  0.0000555400000000, -0.0001229600000000 ]  - [  -0.0003966800000000, -0.0001494300000000,  0.0001565400000000 ]  - [  -0.0000104900000000,  0.0001827900000000, -0.0000582600000000 ]  - [   0.0000035800000000, -0.0003031600000000,  0.0000929500000000 ]  - [   0.0003606900000000, -0.0000975500000000,  0.0001783100000000 ]  - [  -0.0003071400000000, -0.0000893600000000, -0.0001658400000000 ]  - [  -0.0000625000000000,  0.0002577500000000,  0.0002327000000000 ]  - [   0.0000533600000000, -0.0003242500000000, -0.0002350600000000 ]  - [   0.0001299200000000,  0.0038759500000000,  0.0001051700000000 ]  - [  -0.0015721700000000, -0.0016832000000000,  0.0001159300000000 ]  - [   0.0094587800000000, -0.0075509100000000,  0.0020552900000000 ]  - [  -0.0015748100000000, -0.0008168300000000,  0.0001761600000000 ]  - [   0.0000039400000000,  0.0000827000000000, -0.0000138200000000 ]  - [  -0.0000161400000000,  0.0000410700000000,  0.0000036000000000 ]  - [   0.0000210400000000,  0.0000663500000000, -0.0000036100000000 ]  - [  -0.0000349800000000,  0.0000483600000000, -0.0000042000000000 ]  - [   0.0022795700000000,  0.0025616400000000,  0.0031440900000000 ]  - [   0.0024655500000000, -0.0022580400000000, -0.0030306800000000 ]  - [   0.0006456700000000, -0.0001451800000000, -0.0000414500000000 ]  - [  -0.0017979800000000, -0.0000023800000000, -0.0002601800000000 ]  - [  -0.0000057700000000,  0.0000382200000000, -0.0001397000000000 ]  - [   0.0000115800000000, -0.0000278900000000,  0.0000532400000000 ]  - [   0.0000584200000000, -0.0000068000000000, -0.0000402300000000 ]  - [  -0.0000542300000000, -0.0000104600000000, -0.0000345000000000 ]  - [  -0.0000050000000000,  0.0000287200000000,  0.0000890600000000 ]  - [   0.0000080500000000, -0.0000186100000000, -0.0001625800000000 ]  - [   0.0000345900000000, -0.0000045900000000, -0.0000404200000000 ]  - [  -0.0000396800000000, -0.0000082500000000, -0.0000464400000000 ]  - [   0.0007322300000000,  0.0015603000000000, -0.0021050900000000 ]  - [   0.0009071800000000, -0.0010544800000000,  0.0017253200000000 ]  - [   0.0008706400000000, -0.0001691500000000, -0.0000399200000000 ]  - [  -0.0014418000000000,  0.0000980100000000,  0.0002644600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0606788200000000, -0.0002603600000000, -0.0004680600000000 ]  - [  -0.0027444200000000, -0.0000690000000000,  0.0000809300000000 ]  - [  -0.0004091100000000,  0.0014777700000000, -0.0001805800000000 ]  - [  -0.0002394200000000, -0.0013261600000000,  0.0001854100000000 ]  - [   0.0000531000000000,  0.0000269200000000,  0.0000291700000000 ]  - [  -0.0000139200000000,  0.0000269000000000,  0.0000333200000000 ]  - [   0.0000193400000000,  0.0000464900000000,  0.0000308700000000 ]  - [   0.0000195200000000,  0.0000077600000000,  0.0000232600000000 ]  - [  -0.0000135700000000,  0.0001306900000000, -0.0002679900000000 ]  - [  -0.0000896600000000, -0.0001493100000000,  0.0003040200000000 ]  - [   0.0001896800000000, -0.0000698800000000,  0.0000481600000000 ]  - [  -0.0002237800000000, -0.0000140600000000,  0.0000271400000000 ]  - [  -0.0000157000000000,  0.0001380100000000,  0.0009433900000000 ]  - [  -0.0000881400000000, -0.0001416700000000, -0.0007413700000000 ]  - [   0.0001901500000000, -0.0000635900000000, -0.0001169800000000 ]  - [  -0.0002239500000000, -0.0000395600000000,  0.0000281700000000 ]  - [  -0.0072635400000000,  0.0088737500000000,  0.0040241800000000 ]  - [  -0.0069841000000000, -0.0044613400000000, -0.0031928800000000 ]  - [   0.0044746500000000,  0.0024258100000000, -0.0007370100000000 ]  - [  -0.0011302200000000, -0.0008139800000000,  0.0000247900000000 ]  - [  -0.0000018200000000,  0.0000204700000000, -0.0000231700000000 ]  - [   0.0000025900000000, -0.0000223600000000,  0.0000698400000000 ]  - [   0.0000376800000000,  0.0000036400000000,  0.0000259600000000 ]  - [  -0.0000378000000000, -0.0000169600000000,  0.0000237900000000 ]  - [   0.0008397600000000,  0.0000349500000000,  0.0000448200000000 ]  - [  -0.0008455600000000, -0.0000405900000000, -0.0000413800000000 ]  - [  -0.0000200900000000,  0.0004717800000000,  0.0000662100000000 ]  - [   0.0000113900000000, -0.0005004100000000,  0.0000398800000000 ]  - [   0.0006821200000000, -0.0000254000000000,  0.0000229800000000 ]  - [  -0.0006450700000000,  0.0000105100000000,  0.0000556800000000 ]  - [   0.0000180200000000,  0.0003930100000000,  0.0000464800000000 ]  - [   0.0000177500000000, -0.0003725800000000, -0.0000301800000000 ]  - [  -0.0272522500000000,  0.0009238100000000,  0.0054897500000000 ]  - [   0.0038660600000000,  0.0000727800000000,  0.0005114000000000 ]  - [   0.0000156700000000, -0.0013992100000000,  0.0000366800000000 ]  - [  -0.0000554900000000,  0.0007444300000000,  0.0000023900000000 ]  - [   0.0000343100000000, -0.0000304700000000,  0.0000051400000000 ]  - [   0.0000684600000000, -0.0000195500000000, -0.0000141300000000 ]  - [   0.0000455000000000, -0.0000296900000000, -0.0000039400000000 ]  - [   0.0000552500000000, -0.0000180700000000, -0.0000032100000000 ]  - [  -0.0004770700000000,  0.0000951700000000, -0.0001941400000000 ]  - [   0.0004905900000000, -0.0000209600000000,  0.0002966000000000 ]  - [   0.0000963500000000, -0.0000160400000000, -0.0000706800000000 ]  - [   0.0000279400000000,  0.0001454400000000, -0.0000046500000000 ]  - [  -0.0002952400000000,  0.0000241300000000,  0.0004089100000000 ]  - [   0.0004762800000000,  0.0000948200000000, -0.0004368400000000 ]  - [   0.0000246900000000, -0.0000226900000000,  0.0000097000000000 ]  - [   0.0000594100000000,  0.0001272800000000,  0.0000306900000000 ]  - [   0.0009705100000000, -0.0016327300000000, -0.0029121400000000 ]  - [   0.0010017000000000,  0.0006431500000000,  0.0021168400000000 ]  - [  -0.0009904600000000, -0.0004699300000000,  0.0008301600000000 ]  - [   0.0004496800000000,  0.0001583600000000,  0.0000118100000000 ]  - [  -0.0000076100000000, -0.0000350900000000,  0.0000869000000000 ]  - [   0.0000087100000000,  0.0000264800000000, -0.0000586500000000 ]  - [  -0.0000524300000000,  0.0000086600000000,  0.0000079100000000 ]  - [   0.0000502100000000, -0.0000022400000000,  0.0000126600000000 ]  - [  -0.0046690200000000,  0.0000059900000000,  0.0000941400000000 ]  - [   0.0011709000000000,  0.0000130800000000,  0.0000448700000000 ]  - [   0.0000725500000000, -0.0006368600000000,  0.0001255600000000 ]  - [   0.0000588300000000,  0.0006403400000000, -0.0001269400000000 ]  - [  -0.0001244500000000,  0.0000038600000000,  0.0000132100000000 ]  - [   0.0001204400000000, -0.0000010400000000, -0.0000049100000000 ]  - [  -0.0000044700000000, -0.0000731200000000,  0.0000061000000000 ]  - [  -0.0000042500000000,  0.0000710100000000,  0.0000362100000000 ]  - [   0.0033897600000000, -0.0012604700000000,  0.0000632200000000 ]  - [  -0.0120562500000000, -0.0102285800000000, -0.0031166100000000 ]  - [  -0.0016351800000000,  0.0015231700000000, -0.0004279400000000 ]  - [   0.0007637400000000, -0.0006808000000000,  0.0001602400000000 ]  - [  -0.0000460400000000, -0.0000616200000000, -0.0000076400000000 ]  - [  -0.0000907600000000, -0.0000519400000000, -0.0000235800000000 ]  - [  -0.0000890600000000, -0.0000401600000000, -0.0000145800000000 ]  - [  -0.0000476600000000, -0.0000674400000000, -0.0000158900000000 ]  - [  -0.0004045300000000,  0.0000969900000000,  0.0000523700000000 ]  - [   0.0002268000000000, -0.0000035300000000, -0.0000672000000000 ]  - [  -0.0001133200000000, -0.0002550600000000, -0.0002156900000000 ]  - [   0.0000243700000000,  0.0003593300000000,  0.0002115600000000 ]  - [  -0.0004707100000000,  0.0000363300000000, -0.0002454700000000 ]  - [   0.0003179800000000, -0.0000317600000000,  0.0001876400000000 ]  - [  -0.0000644400000000, -0.0002174200000000,  0.0001865100000000 ]  - [  -0.0000088400000000,  0.0003100200000000, -0.0001900500000000 ]  - [  -0.0004213200000000, -0.0001839100000000,  0.0001022600000000 ]  - [   0.0004116400000000,  0.0000309300000000, -0.0001627400000000 ]  - [   0.0000238900000000, -0.0003027300000000,  0.0000494900000000 ]  - [   0.0000126800000000,  0.0001852100000000, -0.0001028000000000 ]  - [  -0.0003476000000000, -0.0000215100000000, -0.0001869200000000 ]  - [   0.0003217600000000, -0.0000298100000000,  0.0001551800000000 ]  - [   0.0000764500000000, -0.0003785700000000, -0.0002432500000000 ]  - [  -0.0000385000000000,  0.0002048300000000,  0.0002252700000000 ]  - [  -0.0001493300000000, -0.0037768300000000, -0.0001148700000000 ]  - [   0.0015683800000000,  0.0017960600000000, -0.0001259500000000 ]  - [  -0.0094895600000000,  0.0074375000000000, -0.0019920200000000 ]  - [   0.0015626900000000,  0.0009432700000000, -0.0001871500000000 ]  - [  -0.0000187200000000,  0.0000366900000000,  0.0000043400000000 ]  - [   0.0000020000000000,  0.0000779200000000, -0.0000126500000000 ]  - [  -0.0000357600000000,  0.0000526000000000, -0.0000057000000000 ]  - [   0.0000205000000000,  0.0000708400000000, -0.0000049800000000 ]  - [  -0.0022839800000000, -0.0025850200000000, -0.0032537700000000 ]  - [  -0.0024584500000000,  0.0022312200000000,  0.0029214000000000 ]  - [  -0.0006435400000000,  0.0001485600000000, -0.0000411800000000 ]  - [   0.0018034900000000, -0.0000185000000000,  0.0001863600000000 ]  - [   0.0000089100000000, -0.0000398700000000,  0.0000594100000000 ]  - [  -0.0000093900000000,  0.0000263300000000, -0.0001335200000000 ]  - [  -0.0000559900000000,  0.0000051300000000, -0.0000401100000000 ]  - [   0.0000568100000000,  0.0000084700000000, -0.0000461100000000 ]  - [   0.0000039600000000, -0.0000273400000000, -0.0001689400000000 ]  - [  -0.0000121000000000,  0.0000199100000000,  0.0000823200000000 ]  - [  -0.0000371400000000,  0.0000061400000000, -0.0000403400000000 ]  - [   0.0000367200000000,  0.0000081800000000, -0.0000324200000000 ]  - [  -0.0007326100000000, -0.0015647700000000,  0.0020340700000000 ]  - [  -0.0009159600000000,  0.0010485200000000, -0.0017979400000000 ]  - [  -0.0008738900000000,  0.0001744900000000, -0.0000395100000000 ]  - [   0.0014421400000000, -0.0001033700000000, -0.0003504200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0527983600000000 ]  - [  -0.0000535300000000, -0.0002108600000000, -0.0010544300000000 ]  - [   0.0002093800000000,  0.0000590700000000, -0.0010544300000000 ]  - [  -0.0001558400000000,  0.0001517900000000, -0.0010544300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007160100000000 ]  - [  -0.0000035300000000,  0.0000042400000000,  0.0005769000000000 ]  - [  -0.0000019100000000, -0.0000051800000000,  0.0005769000000000 ]  - [   0.0000054400000000,  0.0000009400000000,  0.0005769000000000 ]  - [   0.0009110600000000, -0.0003605700000000,  0.0006390100000000 ]  - [  -0.0007677900000000, -0.0006087200000000,  0.0006390100000000 ]  - [  -0.0001432700000000,  0.0009692900000000,  0.0006390100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002336400000000 ]  - [  -0.0002974400000000,  0.0001488100000000,  0.0006388600000000 ]  - [   0.0002776000000000,  0.0001831800000000,  0.0006388600000000 ]  - [   0.0000198400000000, -0.0003320000000000,  0.0006388600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002320100000000 ]  - [  -0.0029281400000000,  0.0024941400000000, -0.0013252300000000 ]  - [   0.0036240600000000,  0.0012887700000000, -0.0013252300000000 ]  - [  -0.0006959200000000, -0.0037829100000000, -0.0013252300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009897200000000 ]  - [   0.0000493900000000, -0.0000311000000000,  0.0010786800000000 ]  - [  -0.0000516300000000, -0.0000272200000000,  0.0010786800000000 ]  - [   0.0000022400000000,  0.0000583200000000,  0.0010786800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008696900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0102898300000000 ]  - [   0.0001609500000000, -0.0001221600000000, -0.0006422200000000 ]  - [   0.0000253200000000,  0.0002004600000000, -0.0006422200000000 ]  - [  -0.0001862600000000, -0.0000783000000000, -0.0006422200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016542200000000 ]  - [  -0.0000699000000000, -0.0000187200000000,  0.0008772000000000 ]  - [   0.0000511600000000, -0.0000511800000000,  0.0008772000000000 ]  - [   0.0000187400000000,  0.0000699000000000,  0.0008772000000000 ]  - [  -0.0053492700000000,  0.0003825800000000,  0.0069013900000000 ]  - [  -0.0009215600000000,  0.0004306700000000,  0.0014622300000000 ]  - [  -0.0001470200000000,  0.0008921100000000,  0.0007935600000000 ]  - [   0.0000881700000000, -0.0001119600000000,  0.0008469700000000 ]  - [   0.0001184000000000, -0.0000985700000000, -0.0005744100000000 ]  - [   0.0001554700000000, -0.0001090300000000, -0.0005302400000000 ]  - [   0.0001425700000000, -0.0001376700000000, -0.0005042100000000 ]  - [   0.0001270600000000, -0.0000777500000000, -0.0004889100000000 ]  - [   0.0022384100000000,  0.0001214700000000, -0.0026072000000000 ]  - [  -0.0005634200000000,  0.0000433600000000, -0.0000607000000000 ]  - [  -0.0000207800000000,  0.0002142500000000, -0.0000103300000000 ]  - [   0.0000536500000000, -0.0002456400000000,  0.0000807100000000 ]  - [  -0.0000773800000000,  0.0000476300000000, -0.0008413200000000 ]  - [   0.0003060500000000,  0.0000741100000000, -0.0004765800000000 ]  - [   0.0001234600000000, -0.0000323300000000, -0.0003899000000000 ]  - [   0.0001478600000000,  0.0001463300000000, -0.0004072900000000 ]  - [   0.0009592000000000, -0.0005588900000000, -0.0000715300000000 ]  - [  -0.0009636100000000, -0.0005512500000000, -0.0000715300000000 ]  - [   0.0000044100000000,  0.0011101400000000, -0.0000715300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004465800000000 ]  - [  -0.0002030100000000,  0.0000843800000000, -0.0008649400000000 ]  - [   0.0001745800000000,  0.0001336200000000, -0.0008649400000000 ]  - [   0.0000284300000000, -0.0002180100000000, -0.0008649400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005775100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0279819500000000 ]  - [  -0.0000038700000000,  0.0001913200000000,  0.0010127100000000 ]  - [  -0.0001637600000000, -0.0000990100000000,  0.0010127100000000 ]  - [   0.0001676300000000, -0.0000923100000000,  0.0010127100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009649400000000 ]  - [   0.0000125700000000, -0.0000013900000000, -0.0007236600000000 ]  - [  -0.0000050800000000,  0.0000115900000000, -0.0007236600000000 ]  - [  -0.0000074900000000, -0.0000101900000000, -0.0007236600000000 ]  - [   0.0008461000000000, -0.0003187300000000,  0.0007935600000000 ]  - [   0.0030059600000000,  0.0044413200000000,  0.0069013900000000 ]  - [   0.0008337600000000,  0.0005827600000000,  0.0014622300000000 ]  - [  -0.0001410400000000, -0.0000203700000000,  0.0008469700000000 ]  - [  -0.0001905100000000, -0.0000546300000000, -0.0005042100000000 ]  - [  -0.0001445700000000, -0.0000532500000000, -0.0005744100000000 ]  - [  -0.0001721600000000, -0.0000801300000000, -0.0005302400000000 ]  - [  -0.0001308700000000, -0.0000711600000000, -0.0004889100000000 ]  - [  -0.0012244000000000,  0.0018777900000000, -0.0026072000000000 ]  - [   0.0001859100000000,  0.0001692800000000,  0.0000807100000000 ]  - [   0.0002441600000000, -0.0005096200000000, -0.0000607000000000 ]  - [  -0.0001751600000000, -0.0001251200000000, -0.0000103300000000 ]  - [  -0.0000025600000000, -0.0000908300000000, -0.0008413200000000 ]  - [  -0.0002006500000000,  0.0000548900000000, -0.0004072900000000 ]  - [  -0.0002172100000000,  0.0002279900000000, -0.0004765800000000 ]  - [  -0.0000337300000000,  0.0001230900000000, -0.0003899000000000 ]  - [  -0.0010140100000000, -0.0019992600000000, -0.0026072000000000 ]  - [   0.0001959300000000, -0.0000891300000000, -0.0000103300000000 ]  - [  -0.0002395500000000,  0.0000763600000000,  0.0000807100000000 ]  - [   0.0003192600000000,  0.0004662500000000, -0.0000607000000000 ]  - [   0.0000799400000000,  0.0000432000000000, -0.0008413200000000 ]  - [  -0.0000897300000000, -0.0000907600000000, -0.0003899000000000 ]  - [   0.0000527900000000, -0.0002012100000000, -0.0004072900000000 ]  - [  -0.0000888400000000, -0.0003021000000000, -0.0004765800000000 ]  - [   0.0000878100000000, -0.0010134300000000,  0.0014622300000000 ]  - [  -0.0006990800000000, -0.0005733800000000,  0.0007935600000000 ]  - [   0.0023433100000000, -0.0048239000000000,  0.0069013900000000 ]  - [   0.0000528800000000,  0.0001323300000000,  0.0008469700000000 ]  - [   0.0000166900000000,  0.0001891600000000, -0.0005302400000000 ]  - [   0.0000479400000000,  0.0001923000000000, -0.0005042100000000 ]  - [   0.0000261600000000,  0.0001518300000000, -0.0005744100000000 ]  - [   0.0000038100000000,  0.0001489100000000, -0.0004889100000000 ]  - [   0.0030308200000000,  0.0015752900000000, -0.0012435300000000 ]  - [  -0.0028796500000000,  0.0018371300000000, -0.0012435300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011856500000000 ]  - [  -0.0001511700000000, -0.0034124100000000, -0.0012435300000000 ]  - [  -0.0000680000000000, -0.0000327100000000,  0.0007482100000000 ]  - [   0.0000623200000000, -0.0000425300000000,  0.0007482100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006618700000000 ]  - [   0.0000056700000000,  0.0000752400000000,  0.0007482100000000 ]  - [   0.0003033800000000,  0.0001345300000000,  0.0008105300000000 ]  - [  -0.0002682000000000,  0.0001954700000000,  0.0008105300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004444000000000 ]  - [  -0.0000351900000000, -0.0003300000000000,  0.0008105300000000 ]  - [  -0.0015948900000000, -0.0009439900000000,  0.0007101900000000 ]  - [   0.0016149600000000, -0.0009092200000000,  0.0007101900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000956000000000 ]  - [  -0.0000200700000000,  0.0018532100000000,  0.0007101900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0562247300000000 ]  - [   0.0000545200000000,  0.0002129600000000,  0.0011074800000000 ]  - [  -0.0002116900000000, -0.0000592600000000,  0.0011074800000000 ]  - [   0.0001571700000000, -0.0001537000000000,  0.0011074800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006756400000000 ]  - [   0.0000039900000000, -0.0000043200000000, -0.0005285000000000 ]  - [   0.0000017500000000,  0.0000056200000000, -0.0005285000000000 ]  - [  -0.0000057400000000, -0.0000013000000000, -0.0005285000000000 ]  - [  -0.0009157000000000,  0.0003625000000000, -0.0005940100000000 ]  - [   0.0007717800000000,  0.0006117800000000, -0.0005940100000000 ]  - [   0.0001439200000000, -0.0009742700000000, -0.0005940100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001864500000000 ]  - [   0.0002941000000000, -0.0001474400000000, -0.0005949100000000 ]  - [  -0.0002747400000000, -0.0001809800000000, -0.0005949100000000 ]  - [  -0.0000193600000000,  0.0003284200000000, -0.0005949100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001887200000000 ]  - [   0.0029429800000000, -0.0025206600000000,  0.0013263700000000 ]  - [  -0.0036544500000000, -0.0012883600000000,  0.0013263700000000 ]  - [   0.0007114700000000,  0.0038090200000000,  0.0013263700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010234100000000 ]  - [  -0.0000501000000000,  0.0000311700000000, -0.0010409800000000 ]  - [   0.0000520500000000,  0.0000278000000000, -0.0010409800000000 ]  - [  -0.0000019500000000, -0.0000589800000000, -0.0010409800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008307900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0103101200000000 ]  - [  -0.0001618300000000,  0.0001224300000000,  0.0006882200000000 ]  - [  -0.0000251200000000, -0.0002013700000000,  0.0006882200000000 ]  - [   0.0001869500000000,  0.0000789300000000,  0.0006882200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016094800000000 ]  - [   0.0000694900000000,  0.0000188400000000, -0.0008417700000000 ]  - [  -0.0000510600000000,  0.0000507600000000, -0.0008417700000000 ]  - [  -0.0000184300000000, -0.0000696000000000, -0.0008417700000000 ]  - [   0.0054690100000000, -0.0004280300000000, -0.0069954400000000 ]  - [   0.0010597100000000, -0.0004871500000000, -0.0014825600000000 ]  - [   0.0002725600000000, -0.0009580600000000, -0.0008162600000000 ]  - [   0.0000358700000000,  0.0000613300000000, -0.0008706000000000 ]  - [   0.0000080500000000,  0.0000457200000000,  0.0005505000000000 ]  - [  -0.0000296700000000,  0.0000564100000000,  0.0005062600000000 ]  - [  -0.0000166200000000,  0.0000851000000000,  0.0004803800000000 ]  - [  -0.0000009000000000,  0.0000246100000000,  0.0004649500000000 ]  - [  -0.0021376600000000, -0.0000393300000000,  0.0025928300000000 ]  - [   0.0006764900000000,  0.0000397900000000,  0.0000339700000000 ]  - [   0.0001302100000000, -0.0001322900000000, -0.0000166300000000 ]  - [   0.0000557200000000,  0.0003300400000000, -0.0001078700000000 ]  - [   0.0001831900000000,  0.0000342200000000,  0.0008140900000000 ]  - [  -0.0001958200000000,  0.0000080600000000,  0.0004536800000000 ]  - [  -0.0000149300000000,  0.0001142200000000,  0.0003672400000000 ]  - [  -0.0000395600000000, -0.0000633800000000,  0.0003850100000000 ]  - [  -0.0009525300000000,  0.0005586600000000,  0.0001051100000000 ]  - [   0.0009600800000000,  0.0005455900000000,  0.0001051100000000 ]  - [  -0.0000075500000000, -0.0011042400000000,  0.0001051100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004237400000000 ]  - [   0.0002041600000000, -0.0000849800000000,  0.0008826800000000 ]  - [  -0.0001756800000000, -0.0001343200000000,  0.0008826800000000 ]  - [  -0.0000284800000000,  0.0002193000000000,  0.0008826800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005941900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0301325400000000 ]  - [   0.0000039500000000, -0.0001922200000000, -0.0010028100000000 ]  - [   0.0001645000000000,  0.0000995300000000, -0.0010028100000000 ]  - [  -0.0001684500000000,  0.0000926900000000, -0.0010028100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009878300000000 ]  - [  -0.0000125000000000,  0.0000014300000000,  0.0007427200000000 ]  - [   0.0000050100000000, -0.0000115400000000,  0.0007427200000000 ]  - [   0.0000074900000000,  0.0000101100000000,  0.0007427200000000 ]  - [  -0.0009659900000000,  0.0002429800000000, -0.0008162600000000 ]  - [  -0.0031051900000000, -0.0045222900000000, -0.0069954400000000 ]  - [  -0.0009517300000000, -0.0006741600000000, -0.0014825600000000 ]  - [   0.0000351800000000, -0.0000617300000000, -0.0008706000000000 ]  - [   0.0000820100000000, -0.0000281600000000,  0.0004803800000000 ]  - [   0.0000355700000000, -0.0000298300000000,  0.0005505000000000 ]  - [   0.0000636900000000, -0.0000025100000000,  0.0005062600000000 ]  - [   0.0000217600000000, -0.0000115200000000,  0.0004649500000000 ]  - [   0.0011028900000000, -0.0018316100000000,  0.0025928300000000 ]  - [  -0.0003136800000000, -0.0001167600000000, -0.0001078700000000 ]  - [  -0.0003727100000000,  0.0005659600000000,  0.0000339700000000 ]  - [   0.0000494700000000,  0.0001789100000000, -0.0000166300000000 ]  - [  -0.0001212300000000,  0.0001415300000000,  0.0008140900000000 ]  - [   0.0000746700000000, -0.0000025700000000,  0.0003850100000000 ]  - [   0.0000909300000000, -0.0001736200000000,  0.0004536800000000 ]  - [  -0.0000914600000000, -0.0000700400000000,  0.0003672400000000 ]  - [   0.0010347700000000,  0.0018709300000000,  0.0025928300000000 ]  - [  -0.0001796700000000, -0.0000466100000000, -0.0000166300000000 ]  - [   0.0002579600000000, -0.0002132700000000, -0.0001078700000000 ]  - [  -0.0003037800000000, -0.0006057600000000,  0.0000339700000000 ]  - [  -0.0000619500000000, -0.0001757600000000,  0.0008140900000000 ]  - [   0.0001063800000000, -0.0000441900000000,  0.0003672400000000 ]  - [  -0.0000351100000000,  0.0000659500000000,  0.0003850100000000 ]  - [   0.0001048900000000,  0.0001655600000000,  0.0004536800000000 ]  - [  -0.0001079700000000,  0.0011613000000000, -0.0014825600000000 ]  - [   0.0006934200000000,  0.0007150800000000, -0.0008162600000000 ]  - [  -0.0023638200000000,  0.0049503200000000, -0.0069954400000000 ]  - [  -0.0000710500000000,  0.0000004000000000, -0.0008706000000000 ]  - [  -0.0000340200000000, -0.0000539000000000,  0.0005062600000000 ]  - [  -0.0000653900000000, -0.0000569400000000,  0.0004803800000000 ]  - [  -0.0000436200000000, -0.0000158900000000,  0.0005505000000000 ]  - [  -0.0000208600000000, -0.0000130800000000,  0.0004649500000000 ]  - [  -0.0030414500000000, -0.0015808900000000,  0.0011738600000000 ]  - [   0.0028898200000000, -0.0018435300000000,  0.0011738600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011026900000000 ]  - [   0.0001516300000000,  0.0034244200000000,  0.0011738600000000 ]  - [   0.0000669900000000,  0.0000321800000000, -0.0008387800000000 ]  - [  -0.0000613600000000,  0.0000419200000000, -0.0008387800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007533300000000 ]  - [  -0.0000056300000000, -0.0000741000000000, -0.0008387800000000 ]  - [  -0.0003050600000000, -0.0001353100000000, -0.0009002600000000 ]  - [   0.0002697200000000, -0.0001965300000000, -0.0009002600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005326400000000 ]  - [   0.0000353500000000,  0.0003318500000000, -0.0009002600000000 ]  - [   0.0015824300000000,  0.0009385100000000, -0.0008067100000000 ]  - [  -0.0016039900000000,  0.0009011700000000, -0.0008067100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000012600000000 ]  - [   0.0000215500000000, -0.0018396800000000, -0.0008067100000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0072661200000000, -0.0043510400000000, -0.0029248800000000 ]  - [   0.0069734400000000,  0.0090172500000000,  0.0036479200000000 ]  - [  -0.0044313100000000,  0.0021244700000000, -0.0006705900000000 ]  - [   0.0011511300000000, -0.0007737000000000,  0.0000278000000000 ]  - [   0.0000223500000000,  0.0000112000000000,  0.0000781400000000 ]  - [   0.0000179700000000,  0.0000543300000000, -0.0000236200000000 ]  - [  -0.0000172300000000,  0.0000287100000000,  0.0000299700000000 ]  - [   0.0000585500000000,  0.0000140400000000,  0.0000283100000000 ]  - [  -0.0007039800000000, -0.0000542100000000,  0.0000274800000000 ]  - [   0.0006226600000000, -0.0000196800000000,  0.0000955000000000 ]  - [  -0.0000398700000000, -0.0004018600000000, -0.0000245700000000 ]  - [  -0.0000393200000000,  0.0003632200000000,  0.0000081000000000 ]  - [  -0.0008641200000000,  0.0000046800000000,  0.0000150400000000 ]  - [   0.0008235800000000, -0.0000346200000000, -0.0001309900000000 ]  - [  -0.0000018600000000, -0.0005463200000000,  0.0000021600000000 ]  - [  -0.0000333000000000,  0.0004243700000000,  0.0002146600000000 ]  - [  -0.1888552100000000,  0.0000846600000000,  0.0019192700000000 ]  - [   0.0076818100000000, -0.0001524300000000,  0.0001623500000000 ]  - [   0.0010877100000000, -0.0036492100000000,  0.0002598800000000 ]  - [   0.0013458900000000,  0.0037903200000000, -0.0003430800000000 ]  - [  -0.0001252700000000, -0.0000039500000000,  0.0000231000000000 ]  - [   0.0001232800000000, -0.0000016300000000,  0.0000440000000000 ]  - [   0.0000047400000000, -0.0000742500000000, -0.0000010700000000 ]  - [   0.0000010100000000,  0.0000649500000000,  0.0000263700000000 ]  - [   0.0002985700000000, -0.0003238700000000, -0.0022129100000000 ]  - [  -0.0001643200000000,  0.0006109400000000,  0.0030040000000000 ]  - [  -0.0007430100000000, -0.0002601800000000, -0.0007244100000000 ]  - [   0.0007622300000000, -0.0000494600000000,  0.0000220200000000 ]  - [   0.0002960300000000, -0.0003347000000000,  0.0006126400000000 ]  - [  -0.0001596000000000,  0.0005989800000000, -0.0006479400000000 ]  - [  -0.0007446300000000, -0.0002755200000000,  0.0001029400000000 ]  - [   0.0007621300000000,  0.0000599100000000,  0.0000243200000000 ]  - [   0.0387289800000000, -0.0288713400000000, -0.0110167400000000 ]  - [  -0.0044269100000000, -0.0004552600000000,  0.0001376600000000 ]  - [   0.0005446300000000,  0.0033683400000000,  0.0000124500000000 ]  - [  -0.0009708900000000, -0.0017836800000000,  0.0000138200000000 ]  - [   0.0001053300000000, -0.0000345900000000, -0.0000153200000000 ]  - [  -0.0000008700000000, -0.0000262800000000,  0.0000043200000000 ]  - [   0.0000631000000000,  0.0000277800000000,  0.0000077400000000 ]  - [   0.0000394600000000, -0.0000651400000000, -0.0000110800000000 ]  - [  -0.0006622800000000,  0.0000671600000000,  0.0005021800000000 ]  - [   0.0009163100000000, -0.0001409300000000, -0.0006496400000000 ]  - [   0.0002680700000000, -0.0001818600000000,  0.0003537500000000 ]  - [  -0.0003126400000000,  0.0004528500000000, -0.0003322200000000 ]  - [  -0.0003261900000000,  0.0000999800000000, -0.0001649800000000 ]  - [   0.0005318800000000, -0.0000970200000000,  0.0002193100000000 ]  - [   0.0004755800000000, -0.0001878900000000, -0.0005029800000000 ]  - [  -0.0004218500000000,  0.0004754400000000,  0.0004876400000000 ]  - [   0.0214083500000000, -0.0000047000000000, -0.0003265100000000 ]  - [  -0.0022850000000000,  0.0000089000000000,  0.0001483700000000 ]  - [  -0.0002180600000000,  0.0012310400000000, -0.0002129700000000 ]  - [  -0.0001915400000000, -0.0011678900000000,  0.0000973700000000 ]  - [   0.0001567100000000,  0.0000032800000000,  0.0000136600000000 ]  - [  -0.0001599700000000,  0.0000005000000000, -0.0000185500000000 ]  - [   0.0000055200000000,  0.0000924000000000,  0.0000557900000000 ]  - [   0.0000024100000000, -0.0000970500000000,  0.0000041200000000 ]  - [  -0.0011844000000000,  0.0007958100000000,  0.0026857600000000 ]  - [  -0.0010143200000000, -0.0020629200000000, -0.0039619000000000 ]  - [   0.0013720300000000, -0.0004837600000000,  0.0013239600000000 ]  - [  -0.0008135300000000,  0.0003105400000000,  0.0000149000000000 ]  - [  -0.0000483100000000,  0.0000632600000000, -0.0002069200000000 ]  - [   0.0000351000000000, -0.0001104800000000,  0.0002541300000000 ]  - [   0.0001447100000000,  0.0000507900000000, -0.0000037500000000 ]  - [  -0.0001509200000000, -0.0000102500000000,  0.0000131100000000 ]  - [   0.0831265100000000, -0.0001264400000000,  0.0204141000000000 ]  - [  -0.0064029700000000, -0.0003496500000000, -0.0001798900000000 ]  - [  -0.0004142000000000,  0.0017047700000000, -0.0001076500000000 ]  - [  -0.0006064400000000, -0.0020008900000000,  0.0000161700000000 ]  - [   0.0000049100000000, -0.0000592200000000,  0.0000043900000000 ]  - [  -0.0001414500000000, -0.0000521400000000, -0.0000378600000000 ]  - [  -0.0000673600000000, -0.0000358300000000, -0.0000116700000000 ]  - [  -0.0000667100000000, -0.0000731700000000, -0.0000145800000000 ]  - [   0.0002178700000000, -0.0000355400000000,  0.0007887300000000 ]  - [  -0.0004704900000000,  0.0000956000000000, -0.0009519700000000 ]  - [   0.0000583200000000,  0.0000349000000000,  0.0001690900000000 ]  - [  -0.0000782700000000,  0.0000424600000000,  0.0001077900000000 ]  - [   0.0002527700000000,  0.0002277800000000, -0.0005712200000000 ]  - [  -0.0003075000000000, -0.0003239900000000,  0.0007683700000000 ]  - [   0.0000931800000000,  0.0001210100000000,  0.0000083900000000 ]  - [  -0.0001949100000000,  0.0000569400000000, -0.0001884900000000 ]  - [   0.0001648200000000,  0.0003934200000000,  0.0005753400000000 ]  - [  -0.0003048200000000, -0.0007758900000000, -0.0006940300000000 ]  - [   0.0006837600000000,  0.0003158100000000, -0.0001633100000000 ]  - [  -0.0005249100000000, -0.0001575500000000,  0.0002014300000000 ]  - [  -0.0000075100000000,  0.0002135400000000, -0.0002918700000000 ]  - [  -0.0000758600000000, -0.0004583900000000,  0.0001295300000000 ]  - [   0.0006935000000000,  0.0001209300000000,  0.0003390900000000 ]  - [  -0.0006451800000000, -0.0001328100000000, -0.0003265100000000 ]  - [   0.0380425500000000,  0.0277770500000000, -0.0109801100000000 ]  - [  -0.0037443300000000,  0.0006464700000000,  0.0000713000000000 ]  - [  -0.0011993400000000,  0.0022806300000000, -0.0001761500000000 ]  - [   0.0002810700000000, -0.0042753600000000,  0.0001461500000000 ]  - [   0.0000507700000000,  0.0000692200000000, -0.0000118600000000 ]  - [  -0.0000648900000000,  0.0000599700000000, -0.0000003400000000 ]  - [  -0.0000189000000000,  0.0000963200000000, -0.0000128400000000 ]  - [   0.0000048100000000,  0.0000131100000000,  0.0000072100000000 ]  - [  -0.0022505300000000, -0.0003527200000000, -0.0011332200000000 ]  - [   0.0011371500000000,  0.0004395800000000, -0.0000422900000000 ]  - [   0.0014807900000000, -0.0031679700000000,  0.0041729300000000 ]  - [   0.0020475900000000,  0.0014748800000000, -0.0031717200000000 ]  - [  -0.0000993100000000,  0.0000163700000000, -0.0000123400000000 ]  - [   0.0000954700000000,  0.0000172500000000, -0.0000406500000000 ]  - [  -0.0000156300000000, -0.0000730800000000, -0.0002680900000000 ]  - [   0.0000179500000000,  0.0000425200000000,  0.0001562300000000 ]  - [  -0.0001403800000000,  0.0000246300000000, -0.0000654400000000 ]  - [   0.0001400100000000,  0.0000238200000000, -0.0000410100000000 ]  - [  -0.0000269000000000, -0.0000995000000000,  0.0001804700000000 ]  - [   0.0000236500000000,  0.0000605200000000, -0.0002382300000000 ]  - [  -0.0025910400000000, -0.0001449700000000,  0.0008588900000000 ]  - [   0.0007929100000000,  0.0003992000000000, -0.0000384400000000 ]  - [   0.0032377700000000, -0.0041805400000000, -0.0056281900000000 ]  - [   0.0038250200000000,  0.0028944900000000,  0.0046859900000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0072097600000000,  0.0043413200000000,  0.0029458400000000 ]  - [  -0.0069861700000000, -0.0090081200000000, -0.0036303000000000 ]  - [   0.0044889700000000, -0.0020951300000000,  0.0007366400000000 ]  - [  -0.0011106800000000,  0.0008371400000000,  0.0000276500000000 ]  - [   0.0000179700000000,  0.0000427500000000, -0.0000219200000000 ]  - [   0.0000231300000000, -0.0000005200000000,  0.0000803300000000 ]  - [   0.0000580000000000,  0.0000253500000000,  0.0000258900000000 ]  - [  -0.0000176700000000,  0.0000402900000000,  0.0000284100000000 ]  - [   0.0006647100000000,  0.0000026400000000,  0.0000275000000000 ]  - [  -0.0006640000000000, -0.0000324200000000, -0.0000437500000000 ]  - [  -0.0000001500000000,  0.0003498300000000,  0.0000781000000000 ]  - [  -0.0000007400000000, -0.0004160300000000,  0.0000452400000000 ]  - [   0.0008226200000000, -0.0000575700000000,  0.0000146700000000 ]  - [  -0.0008641500000000, -0.0000187000000000,  0.0001924800000000 ]  - [  -0.0000384700000000,  0.0004959900000000,  0.0000528100000000 ]  - [  -0.0000066100000000, -0.0004763300000000, -0.0001590800000000 ]  - [   0.1947394200000000,  0.0000843300000000,  0.0019660100000000 ]  - [  -0.0076604200000000,  0.0001462200000000, -0.0001046500000000 ]  - [  -0.0010950400000000,  0.0036495200000000, -0.0002103300000000 ]  - [  -0.0013541700000000, -0.0038071300000000,  0.0003942900000000 ]  - [   0.0001274200000000, -0.0000038800000000,  0.0000231600000000 ]  - [  -0.0001212700000000, -0.0000059700000000,  0.0000022700000000 ]  - [  -0.0000024600000000,  0.0000670400000000,  0.0000472100000000 ]  - [   0.0000011100000000, -0.0000720400000000,  0.0000199200000000 ]  - [  -0.0003039500000000,  0.0003311000000000,  0.0022577300000000 ]  - [   0.0001650900000000, -0.0006053900000000, -0.0029674200000000 ]  - [   0.0007410500000000,  0.0002661700000000,  0.0007768400000000 ]  - [  -0.0007655800000000,  0.0000582500000000,  0.0000221900000000 ]  - [  -0.0003065400000000,  0.0003435400000000, -0.0005665700000000 ]  - [   0.0001699000000000, -0.0005940300000000,  0.0006947100000000 ]  - [   0.0007393700000000,  0.0002740900000000, -0.0000607600000000 ]  - [  -0.0007656700000000, -0.0000478600000000,  0.0000242900000000 ]  - [  -0.0383422800000000,  0.0276768200000000,  0.0105499600000000 ]  - [   0.0045331200000000,  0.0004116500000000, -0.0001431600000000 ]  - [  -0.0004477600000000, -0.0034310600000000, -0.0000210000000000 ]  - [   0.0010802500000000,  0.0017312900000000, -0.0000210400000000 ]  - [  -0.0000019200000000, -0.0000143200000000,  0.0000083000000000 ]  - [   0.0001044400000000, -0.0000227100000000, -0.0000118000000000 ]  - [   0.0000399300000000, -0.0000767200000000, -0.0000150400000000 ]  - [   0.0000640300000000,  0.0000160600000000,  0.0000036300000000 ]  - [   0.0007988200000000,  0.0000430700000000, -0.0005317400000000 ]  - [  -0.0007845100000000,  0.0002510400000000,  0.0006202700000000 ]  - [  -0.0001315900000000,  0.0002919700000000, -0.0003851800000000 ]  - [   0.0004480700000000, -0.0003438800000000,  0.0003029700000000 ]  - [   0.0004655900000000,  0.0000110000000000,  0.0001312100000000 ]  - [  -0.0004080600000000,  0.0002011700000000, -0.0002403800000000 ]  - [  -0.0003360400000000,  0.0002993000000000,  0.0004722700000000 ]  - [   0.0005577100000000, -0.0003685500000000, -0.0005213600000000 ]  - [  -0.0214484600000000,  0.0000010700000000, -0.0003266400000000 ]  - [   0.0022832500000000, -0.0000089400000000, -0.0001326900000000 ]  - [   0.0002191800000000, -0.0012350200000000,  0.0002378900000000 ]  - [   0.0001910200000000,  0.0011676900000000, -0.0000733700000000 ]  - [  -0.0001578700000000, -0.0000039600000000,  0.0000130900000000 ]  - [   0.0001592100000000, -0.0000009100000000,  0.0000465900000000 ]  - [  -0.0000066200000000, -0.0000929000000000, -0.0000291500000000 ]  - [  -0.0000033000000000,  0.0000966000000000,  0.0000229300000000 ]  - [   0.0011924400000000, -0.0007908500000000, -0.0026545100000000 ]  - [   0.0010169000000000,  0.0020682000000000,  0.0040061400000000 ]  - [  -0.0013756800000000,  0.0004892300000000, -0.0013051300000000 ]  - [   0.0008152200000000, -0.0003141100000000,  0.0000144900000000 ]  - [   0.0000505500000000, -0.0000636600000000,  0.0002356200000000 ]  - [  -0.0000365900000000,  0.0001110300000000, -0.0002262500000000 ]  - [  -0.0001434800000000, -0.0000494700000000,  0.0000334000000000 ]  - [   0.0001521700000000,  0.0000093600000000,  0.0000129800000000 ]  - [  -0.0895387600000000, -0.0000610800000000, -0.0227290200000000 ]  - [   0.0062260600000000,  0.0002388600000000,  0.0001555600000000 ]  - [   0.0002816200000000, -0.0018254600000000,  0.0000764400000000 ]  - [   0.0004754600000000,  0.0019024400000000, -0.0000467200000000 ]  - [  -0.0001406300000000, -0.0000508700000000, -0.0000343700000000 ]  - [   0.0000063600000000, -0.0000576400000000,  0.0000078800000000 ]  - [  -0.0000678800000000, -0.0000749900000000, -0.0000184100000000 ]  - [  -0.0000687200000000, -0.0000370500000000, -0.0000154300000000 ]  - [  -0.0003196800000000,  0.0000837300000000, -0.0007971900000000 ]  - [   0.0003673400000000, -0.0000468000000000,  0.0009473200000000 ]  - [  -0.0001624700000000,  0.0000153700000000, -0.0001782600000000 ]  - [  -0.0000247900000000,  0.0000049200000000, -0.0001159900000000 ]  - [  -0.0003440300000000, -0.0001794700000000,  0.0005669200000000 ]  - [   0.0001995900000000,  0.0003764300000000, -0.0007821200000000 ]  - [  -0.0001972800000000, -0.0000690500000000, -0.0000169800000000 ]  - [   0.0000916800000000, -0.0000117800000000,  0.0001815300000000 ]  - [  -0.0001496000000000, -0.0005127500000000, -0.0005851700000000 ]  - [   0.0003193600000000,  0.0006587200000000,  0.0006870500000000 ]  - [  -0.0006715900000000, -0.0004359100000000,  0.0001526100000000 ]  - [   0.0005399500000000,  0.0000375800000000, -0.0002101300000000 ]  - [   0.0000249900000000, -0.0003346300000000,  0.0002836300000000 ]  - [   0.0000872400000000,  0.0003392400000000, -0.0001410400000000 ]  - [  -0.0006857800000000, -0.0002302200000000, -0.0003388700000000 ]  - [   0.0006594600000000,  0.0000110800000000,  0.0003126900000000 ]  - [  -0.0378583900000000, -0.0266088300000000,  0.0105497400000000 ]  - [   0.0037304200000000, -0.0005346100000000, -0.0000780400000000 ]  - [   0.0011918600000000, -0.0021567600000000,  0.0001675100000000 ]  - [  -0.0002991400000000,  0.0044152100000000, -0.0001560900000000 ]  - [  -0.0000652500000000,  0.0000503200000000,  0.0000033400000000 ]  - [   0.0000508700000000,  0.0000594100000000, -0.0000082000000000 ]  - [   0.0000044700000000,  0.0000230200000000,  0.0000042600000000 ]  - [  -0.0000188700000000,  0.0001062700000000, -0.0000157400000000 ]  - [   0.0022597800000000,  0.0003591000000000,  0.0010600300000000 ]  - [  -0.0011364000000000, -0.0004462900000000, -0.0000421100000000 ]  - [  -0.0014795400000000,  0.0031756100000000, -0.0042715400000000 ]  - [  -0.0020545800000000, -0.0014673700000000,  0.0030807700000000 ]  - [   0.0001012700000000, -0.0000163500000000, -0.0000713500000000 ]  - [  -0.0000932400000000, -0.0000192000000000, -0.0000408100000000 ]  - [   0.0000200200000000,  0.0000712900000000,  0.0001861900000000 ]  - [  -0.0000174900000000, -0.0000445700000000, -0.0002385200000000 ]  - [   0.0001380900000000, -0.0000234700000000, -0.0000158700000000 ]  - [  -0.0001423800000000, -0.0000230300000000, -0.0000410800000000 ]  - [   0.0000250900000000,  0.0001009000000000, -0.0002628900000000 ]  - [  -0.0000263100000000, -0.0000593700000000,  0.0001567500000000 ]  - [   0.0025936000000000,  0.0001737000000000, -0.0009495700000000 ]  - [  -0.0007959500000000, -0.0004055800000000, -0.0000384500000000 ]  - [  -0.0032492500000000,  0.0042132000000000,  0.0055916000000000 ]  - [  -0.0038196000000000, -0.0028571600000000, -0.0047245700000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0039922500000000,  0.0014302700000000, -0.0012895100000000 ]  - [   0.0032347700000000,  0.0027422500000000, -0.0012895100000000 ]  - [   0.0007574700000000, -0.0041725200000000, -0.0012895100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009811000000000 ]  - [   0.0000478400000000, -0.0000251100000000,  0.0010859900000000 ]  - [  -0.0000456700000000, -0.0000288800000000,  0.0010859900000000 ]  - [  -0.0000021800000000,  0.0000539900000000,  0.0010859900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008762800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016528500000000 ]  - [   0.0000308400000000, -0.0000440500000000,  0.0008845700000000 ]  - [   0.0000227300000000,  0.0000487400000000,  0.0008845700000000 ]  - [  -0.0000535700000000, -0.0000046800000000,  0.0008845700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0103590600000000 ]  - [  -0.0000610500000000, -0.0000152200000000, -0.0006454900000000 ]  - [   0.0000437000000000, -0.0000452600000000, -0.0006454900000000 ]  - [   0.0000173500000000,  0.0000604800000000, -0.0006454900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1841278800000000 ]  - [   0.0001341300000000, -0.0003496100000000, -0.0034420600000000 ]  - [   0.0002357100000000,  0.0002909600000000, -0.0034420600000000 ]  - [  -0.0003698400000000,  0.0000586500000000, -0.0034420600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019504300000000 ]  - [   0.0000208700000000,  0.0000159100000000,  0.0016766000000000 ]  - [  -0.0000242100000000,  0.0000101200000000,  0.0016766000000000 ]  - [   0.0000033500000000, -0.0000260300000000,  0.0016766000000000 ]  - [  -0.0005870900000000,  0.0004325800000000,  0.0019677700000000 ]  - [   0.0006681600000000,  0.0002921400000000,  0.0019677700000000 ]  - [  -0.0000810800000000, -0.0007247200000000,  0.0019677700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007003100000000 ]  - [   0.0022401300000000, -0.0021620700000000,  0.0019672100000000 ]  - [  -0.0029924700000000, -0.0008589700000000,  0.0019672100000000 ]  - [   0.0007523400000000,  0.0030210400000000,  0.0019672100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006951400000000 ]  - [  -0.0103399000000000,  0.0182429700000000,  0.0297890000000000 ]  - [  -0.0008876600000000, -0.0000648600000000,  0.0013453200000000 ]  - [  -0.0008802800000000,  0.0009807000000000,  0.0021044600000000 ]  - [   0.0005001500000000,  0.0003035900000000,  0.0015295300000000 ]  - [   0.0001830200000000, -0.0001535700000000, -0.0009797800000000 ]  - [   0.0002073900000000, -0.0001502100000000, -0.0008603200000000 ]  - [   0.0002092100000000, -0.0001849000000000, -0.0008904300000000 ]  - [   0.0001484400000000, -0.0001631200000000, -0.0008475500000000 ]  - [   0.0005131700000000,  0.0000031500000000, -0.0008061300000000 ]  - [  -0.0000880200000000, -0.0002026600000000, -0.0011996700000000 ]  - [   0.0004003300000000,  0.0002766700000000, -0.0008961700000000 ]  - [   0.0000214000000000,  0.0001373900000000, -0.0006348100000000 ]  - [  -0.0008921600000000,  0.0004187500000000,  0.0001103400000000 ]  - [   0.0024825400000000,  0.0022705700000000, -0.0031982600000000 ]  - [  -0.0006159900000000, -0.0010193400000000, -0.0003986100000000 ]  - [   0.0003415600000000, -0.0001363400000000, -0.0001121300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0934469300000000 ]  - [  -0.0000258100000000,  0.0002715900000000,  0.0024975100000000 ]  - [  -0.0002223000000000, -0.0001581400000000,  0.0024975100000000 ]  - [   0.0002481000000000, -0.0001134400000000,  0.0024975100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015471200000000 ]  - [  -0.0000103400000000,  0.0000055500000000, -0.0013062900000000 ]  - [   0.0000003600000000, -0.0000117300000000, -0.0013062900000000 ]  - [   0.0000099800000000,  0.0000061800000000, -0.0013062900000000 ]  - [   0.0012526900000000, -0.0007058000000000, -0.0013224000000000 ]  - [  -0.0012375900000000, -0.0007319600000000, -0.0013224000000000 ]  - [  -0.0000151000000000,  0.0014377600000000, -0.0013224000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000134500000000 ]  - [  -0.0003908800000000,  0.0003876000000000, -0.0015590200000000 ]  - [   0.0005311100000000,  0.0001447100000000, -0.0015590200000000 ]  - [  -0.0001402300000000, -0.0005323100000000, -0.0015590200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008202000000000 ]  - [   0.0209688200000000, -0.0001668700000000,  0.0297890000000000 ]  - [   0.0012894500000000,  0.0002719900000000,  0.0021044600000000 ]  - [   0.0000128400000000, -0.0005849400000000,  0.0015295300000000 ]  - [   0.0003876600000000,  0.0008011600000000,  0.0013453200000000 ]  - [  -0.0002245000000000, -0.0000817200000000, -0.0009797800000000 ]  - [  -0.0002647400000000, -0.0000887300000000, -0.0008904300000000 ]  - [  -0.0002154900000000, -0.0000469900000000, -0.0008475500000000 ]  - [  -0.0002337800000000, -0.0001045000000000, -0.0008603200000000 ]  - [   0.0002195200000000,  0.0000251000000000, -0.0011996700000000 ]  - [  -0.0004397700000000,  0.0002083600000000, -0.0008961700000000 ]  - [  -0.0002593100000000,  0.0004428500000000, -0.0008061300000000 ]  - [  -0.0001296800000000, -0.0000501600000000, -0.0006348100000000 ]  - [  -0.0032076500000000,  0.0010146600000000, -0.0031982600000000 ]  - [   0.0011907700000000, -0.0000237900000000, -0.0003986100000000 ]  - [   0.0000834400000000, -0.0009820100000000,  0.0001103400000000 ]  - [  -0.0000527100000000,  0.0003639600000000, -0.0001121300000000 ]  - [   0.0000394400000000, -0.0004850300000000, -0.0008961700000000 ]  - [  -0.0002538600000000, -0.0004459900000000, -0.0008061300000000 ]  - [  -0.0001315000000000,  0.0001775600000000, -0.0011996700000000 ]  - [   0.0001082800000000, -0.0000872200000000, -0.0006348100000000 ]  - [  -0.0005747800000000,  0.0010431300000000, -0.0003986100000000 ]  - [   0.0008087300000000,  0.0005632600000000,  0.0001103400000000 ]  - [   0.0007251000000000, -0.0032852300000000, -0.0031982600000000 ]  - [  -0.0002888500000000, -0.0002276300000000, -0.0001121300000000 ]  - [  -0.0106289200000000, -0.0180761000000000,  0.0297890000000000 ]  - [  -0.0005129900000000,  0.0002813500000000,  0.0015295300000000 ]  - [   0.0005000000000000, -0.0007363000000000,  0.0013453200000000 ]  - [  -0.0004091700000000, -0.0012526900000000,  0.0021044600000000 ]  - [   0.0000414800000000,  0.0002352800000000, -0.0009797800000000 ]  - [   0.0000670500000000,  0.0002101200000000, -0.0008475500000000 ]  - [   0.0000264000000000,  0.0002547100000000, -0.0008603200000000 ]  - [   0.0000555300000000,  0.0002736300000000, -0.0008904300000000 ]  - [   0.0001202100000000,  0.0028472700000000,  0.0014243300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002294500000000 ]  - [   0.0024057000000000, -0.0015277400000000,  0.0014243300000000 ]  - [  -0.0025259200000000, -0.0013195300000000,  0.0014243300000000 ]  - [   0.0000537300000000, -0.0004804100000000,  0.0013893800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009048600000000 ]  - [  -0.0004429100000000,  0.0001936700000000,  0.0013893800000000 ]  - [   0.0003891800000000,  0.0002867300000000,  0.0013893800000000 ]  - [  -0.0000061800000000,  0.0000853000000000,  0.0013049600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012090900000000 ]  - [   0.0000769600000000, -0.0000373000000000,  0.0013049600000000 ]  - [  -0.0000707800000000, -0.0000480000000000,  0.0013049600000000 ]  - [   0.0003757400000000, -0.0059240600000000, -0.0027027500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020593800000000 ]  - [  -0.0053182500000000,  0.0026366300000000, -0.0027027500000000 ]  - [   0.0049425100000000,  0.0032874300000000, -0.0027027500000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0039773800000000, -0.0014291700000000,  0.0013724300000000 ]  - [  -0.0032263900000000, -0.0027299300000000,  0.0013724300000000 ]  - [  -0.0007510000000000,  0.0041591000000000,  0.0013724300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010419800000000 ]  - [  -0.0000471800000000,  0.0000254200000000, -0.0010275000000000 ]  - [   0.0000456000000000,  0.0000281500000000, -0.0010275000000000 ]  - [   0.0000015700000000, -0.0000535700000000, -0.0010275000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008179500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016045500000000 ]  - [  -0.0000315900000000,  0.0000443900000000, -0.0008280400000000 ]  - [  -0.0000226400000000, -0.0000495500000000, -0.0008280400000000 ]  - [   0.0000542400000000,  0.0000051700000000, -0.0008280400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0102312900000000 ]  - [   0.0000606100000000,  0.0000153100000000,  0.0006944500000000 ]  - [  -0.0000435600000000,  0.0000448300000000,  0.0006944500000000 ]  - [  -0.0000170500000000, -0.0000601400000000,  0.0006944500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1761476800000000 ]  - [  -0.0001328900000000,  0.0003474900000000,  0.0034768200000000 ]  - [  -0.0002344900000000, -0.0002888300000000,  0.0034768200000000 ]  - [   0.0003673800000000, -0.0000586600000000,  0.0034768200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019020700000000 ]  - [  -0.0000209200000000, -0.0000157500000000, -0.0016273500000000 ]  - [   0.0000241000000000, -0.0000102400000000, -0.0016273500000000 ]  - [  -0.0000031800000000,  0.0000259900000000, -0.0016273500000000 ]  - [   0.0005922200000000, -0.0004371100000000, -0.0019172700000000 ]  - [  -0.0006746600000000, -0.0002943200000000, -0.0019172700000000 ]  - [   0.0000824400000000,  0.0007314300000000, -0.0019172700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006471200000000 ]  - [  -0.0022303600000000,  0.0021522500000000, -0.0019171200000000 ]  - [   0.0029790800000000,  0.0008554300000000, -0.0019171200000000 ]  - [  -0.0007487200000000, -0.0030076700000000, -0.0019171200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006513600000000 ]  - [   0.0105526000000000, -0.0184433600000000, -0.0295664900000000 ]  - [   0.0010051600000000,  0.0000071800000000, -0.0013605700000000 ]  - [   0.0009978700000000, -0.0010254300000000, -0.0021202600000000 ]  - [  -0.0003685700000000, -0.0003556500000000, -0.0015437600000000 ]  - [  -0.0000573500000000,  0.0001006100000000,  0.0009627200000000 ]  - [  -0.0000812700000000,  0.0000961100000000,  0.0008429700000000 ]  - [  -0.0000834000000000,  0.0001319000000000,  0.0008736000000000 ]  - [  -0.0000228300000000,  0.0001099800000000,  0.0008307600000000 ]  - [  -0.0004057100000000,  0.0000796200000000,  0.0007874300000000 ]  - [   0.0002028600000000,  0.0002876200000000,  0.0011841500000000 ]  - [  -0.0002911400000000, -0.0001961300000000,  0.0008772500000000 ]  - [   0.0000885300000000, -0.0000552800000000,  0.0006150600000000 ]  - [   0.0009972900000000, -0.0003354700000000, -0.0001237000000000 ]  - [  -0.0023623300000000, -0.0021804800000000,  0.0031691700000000 ]  - [   0.0007213400000000,  0.0010965600000000,  0.0003832300000000 ]  - [  -0.0002319200000000,  0.0002178900000000,  0.0000979200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0861498700000000 ]  - [   0.0000255800000000, -0.0002704200000000, -0.0024581200000000 ]  - [   0.0002214000000000,  0.0001573600000000, -0.0024581200000000 ]  - [  -0.0002469800000000,  0.0001130600000000, -0.0024581200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015718100000000 ]  - [   0.0000102600000000, -0.0000056200000000,  0.0013307200000000 ]  - [  -0.0000002600000000,  0.0000116900000000,  0.0013307200000000 ]  - [  -0.0000099900000000, -0.0000060700000000,  0.0013307200000000 ]  - [  -0.0012594300000000,  0.0007123300000000,  0.0013398100000000 ]  - [   0.0012466100000000,  0.0007345300000000,  0.0013398100000000 ]  - [   0.0000128200000000, -0.0014468600000000,  0.0013398100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000078100000000 ]  - [   0.0003893700000000, -0.0003860000000000,  0.0015823800000000 ]  - [  -0.0005289700000000, -0.0001442100000000,  0.0015823800000000 ]  - [   0.0001396000000000,  0.0005302100000000,  0.0015823800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008471200000000 ]  - [  -0.0212487200000000,  0.0000828600000000, -0.0295664900000000 ]  - [  -0.0013869900000000, -0.0003514600000000, -0.0021202600000000 ]  - [  -0.0001237200000000,  0.0004970200000000, -0.0015437600000000 ]  - [  -0.0004963700000000, -0.0008740800000000, -0.0013605700000000 ]  - [   0.0001158100000000, -0.0000006400000000,  0.0009627200000000 ]  - [   0.0001559300000000,  0.0000062800000000,  0.0008736000000000 ]  - [   0.0001066600000000, -0.0000352200000000,  0.0008307600000000 ]  - [   0.0001238700000000,  0.0000223300000000,  0.0008429700000000 ]  - [  -0.0003505200000000,  0.0000318700000000,  0.0011841500000000 ]  - [   0.0003154200000000, -0.0001540700000000,  0.0008772500000000 ]  - [   0.0001339000000000, -0.0003911600000000,  0.0007874300000000 ]  - [   0.0000036100000000,  0.0001043100000000,  0.0006150600000000 ]  - [   0.0030695100000000, -0.0009556000000000,  0.0031691700000000 ]  - [  -0.0013103200000000,  0.0000764200000000,  0.0003832300000000 ]  - [  -0.0002081200000000,  0.0010314100000000, -0.0001237000000000 ]  - [  -0.0000727400000000, -0.0003097900000000,  0.0000979200000000 ]  - [  -0.0000242800000000,  0.0003502000000000,  0.0008772500000000 ]  - [   0.0002718100000000,  0.0003115400000000,  0.0007874300000000 ]  - [   0.0001476600000000, -0.0003195000000000,  0.0011841500000000 ]  - [  -0.0000921400000000, -0.0000490300000000,  0.0006150600000000 ]  - [   0.0005889800000000, -0.0011729800000000,  0.0003832300000000 ]  - [  -0.0007891700000000, -0.0006959400000000, -0.0001237000000000 ]  - [  -0.0007071900000000,  0.0031360700000000,  0.0031691700000000 ]  - [   0.0003046500000000,  0.0000919000000000,  0.0000979200000000 ]  - [   0.0106961200000000,  0.0183605000000000, -0.0295664900000000 ]  - [   0.0004922900000000, -0.0001413600000000, -0.0015437600000000 ]  - [  -0.0005088000000000,  0.0008669100000000, -0.0013605700000000 ]  - [   0.0003891200000000,  0.0013769000000000, -0.0021202600000000 ]  - [  -0.0000584600000000, -0.0000999700000000,  0.0009627200000000 ]  - [  -0.0000838300000000, -0.0000747600000000,  0.0008307600000000 ]  - [  -0.0000426000000000, -0.0001184400000000,  0.0008429700000000 ]  - [  -0.0000725300000000, -0.0001381800000000,  0.0008736000000000 ]  - [  -0.0001178600000000, -0.0028646900000000, -0.0014936400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001573000000000 ]  - [  -0.0024219700000000,  0.0015344100000000, -0.0014936400000000 ]  - [   0.0025398300000000,  0.0013302800000000, -0.0014936400000000 ]  - [  -0.0000534900000000,  0.0004784500000000, -0.0014681300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009848900000000 ]  - [   0.0004411000000000, -0.0001929000000000, -0.0014681300000000 ]  - [  -0.0003876000000000, -0.0002855500000000, -0.0014681300000000 ]  - [   0.0000063600000000, -0.0000863000000000, -0.0013828900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012866200000000 ]  - [  -0.0000779200000000,  0.0000376400000000, -0.0013828900000000 ]  - [   0.0000715600000000,  0.0000486600000000, -0.0013828900000000 ]  - [  -0.0003751500000000,  0.0059006900000000,  0.0025924700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019665000000000 ]  - [   0.0052977200000000, -0.0026254600000000,  0.0025924700000000 ]  - [  -0.0049225700000000, -0.0032752300000000,  0.0025924700000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0272957200000000, -0.0023316100000000, -0.0056547500000000 ]  - [  -0.0038059600000000, -0.0015049300000000, -0.0009594700000000 ]  - [   0.0000504200000000,  0.0008482400000000, -0.0001839600000000 ]  - [   0.0001265500000000, -0.0000630100000000,  0.0000554000000000 ]  - [   0.0000371000000000,  0.0000265300000000,  0.0000845000000000 ]  - [   0.0000030600000000,  0.0000199700000000,  0.0001222200000000 ]  - [   0.0000258100000000,  0.0000369700000000,  0.0001086700000000 ]  - [   0.0000161600000000,  0.0000244300000000,  0.0000934400000000 ]  - [   0.0003982700000000, -0.0000252200000000, -0.0000316100000000 ]  - [  -0.0003910100000000, -0.0001718800000000,  0.0001666700000000 ]  - [  -0.0000072600000000,  0.0002577200000000,  0.0001837300000000 ]  - [  -0.0000639700000000, -0.0001530700000000, -0.0000006100000000 ]  - [   0.0003293000000000, -0.0001021500000000,  0.0011981200000000 ]  - [  -0.0002990100000000, -0.0001192600000000, -0.0002254900000000 ]  - [   0.0000424000000000,  0.0001796700000000, -0.0002831000000000 ]  - [  -0.0000977200000000, -0.0001253600000000,  0.0001383000000000 ]  - [   0.0383733900000000, -0.0268987100000000, -0.0101782800000000 ]  - [  -0.0044898500000000, -0.0003291600000000, -0.0009304700000000 ]  - [   0.0005061700000000,  0.0042369300000000, -0.0009208400000000 ]  - [  -0.0010235200000000, -0.0021563800000000,  0.0004541900000000 ]  - [   0.0000549700000000, -0.0000110800000000,  0.0001452600000000 ]  - [  -0.0000517300000000, -0.0000168100000000,  0.0001696400000000 ]  - [   0.0000129900000000,  0.0000433800000000,  0.0001715000000000 ]  - [  -0.0000111800000000, -0.0000304100000000,  0.0001106900000000 ]  - [   0.0003001900000000,  0.0000529200000000,  0.0031696000000000 ]  - [  -0.0002563700000000, -0.0001334600000000, -0.0012238500000000 ]  - [   0.0001436400000000,  0.0002726700000000, -0.0001224600000000 ]  - [  -0.0001438400000000, -0.0002198700000000,  0.0000150800000000 ]  - [   0.0002705500000000, -0.0001377000000000, -0.0002632900000000 ]  - [  -0.0004229800000000, -0.0001171200000000,  0.0003999800000000 ]  - [   0.0001094200000000,  0.0004795900000000,  0.0002196900000000 ]  - [  -0.0000271400000000, -0.0001919200000000,  0.0000886600000000 ]  - [  -0.0866339100000000,  0.0475861900000000,  0.0285977400000000 ]  - [   0.0023296300000000, -0.0002353400000000, -0.0000154600000000 ]  - [   0.0004114300000000, -0.0018921500000000, -0.0000486900000000 ]  - [  -0.0001295500000000,  0.0009768700000000,  0.0001448000000000 ]  - [   0.0000234600000000, -0.0000252000000000, -0.0000673400000000 ]  - [   0.0000960200000000, -0.0000349400000000, -0.0000739400000000 ]  - [   0.0000645700000000, -0.0000671800000000, -0.0000735300000000 ]  - [   0.0000587100000000, -0.0000111600000000, -0.0000601700000000 ]  - [   0.0007183200000000,  0.0000858700000000, -0.0008540300000000 ]  - [  -0.0001673600000000,  0.0000763900000000,  0.0003793700000000 ]  - [  -0.0000181500000000,  0.0001456600000000, -0.0000599500000000 ]  - [   0.0001358000000000, -0.0000776900000000,  0.0000460500000000 ]  - [   0.0000872600000000,  0.0000859400000000,  0.0002648700000000 ]  - [   0.0002508800000000,  0.0002353900000000, -0.0005200500000000 ]  - [  -0.0000256300000000,  0.0000274600000000, -0.0000397400000000 ]  - [   0.0001142500000000, -0.0000646900000000, -0.0000601800000000 ]  - [  -0.0025961800000000, -0.0051450900000000, -0.0081413800000000 ]  - [   0.0010315700000000,  0.0001934500000000,  0.0007127500000000 ]  - [  -0.0001582500000000, -0.0009425400000000,  0.0008766500000000 ]  - [   0.0002628400000000,  0.0004538300000000, -0.0003171100000000 ]  - [  -0.0000965300000000,  0.0000032200000000, -0.0000724500000000 ]  - [   0.0000886000000000,  0.0000331700000000, -0.0001221200000000 ]  - [  -0.0000065400000000, -0.0000688000000000, -0.0001296200000000 ]  - [   0.0000129900000000,  0.0000312100000000, -0.0000288600000000 ]  - [   0.0018158600000000, -0.0004067400000000, -0.0058433100000000 ]  - [   0.0008808000000000,  0.0003719800000000,  0.0014835000000000 ]  - [  -0.0001440300000000, -0.0002915400000000,  0.0002086700000000 ]  - [   0.0001161200000000,  0.0001332900000000, -0.0000334100000000 ]  - [  -0.0000524600000000,  0.0000239100000000,  0.0000287800000000 ]  - [   0.0000772300000000,  0.0000241100000000, -0.0001945600000000 ]  - [  -0.0000247900000000, -0.0000849700000000, -0.0001252700000000 ]  - [   0.0000088900000000,  0.0000340900000000, -0.0000607500000000 ]  - [   0.0178013700000000, -0.0134664400000000, -0.0006992000000000 ]  - [   0.0054405800000000,  0.0026889800000000,  0.0004844500000000 ]  - [  -0.0012827500000000, -0.0013535900000000,  0.0000435200000000 ]  - [   0.0008171800000000,  0.0000893300000000,  0.0000995300000000 ]  - [  -0.0001009300000000, -0.0000579800000000, -0.0000860900000000 ]  - [  -0.0000622500000000, -0.0000473600000000, -0.0000804700000000 ]  - [  -0.0000967400000000, -0.0000632100000000, -0.0000813200000000 ]  - [  -0.0000633500000000, -0.0000630600000000, -0.0000728900000000 ]  - [  -0.0005237200000000,  0.0004719300000000, -0.0007265500000000 ]  - [   0.0002430200000000, -0.0000725600000000,  0.0003163600000000 ]  - [   0.0000382600000000, -0.0002051000000000, -0.0000563500000000 ]  - [  -0.0000744700000000,  0.0001847500000000,  0.0000768400000000 ]  - [  -0.0005246800000000,  0.0002021700000000, -0.0000189000000000 ]  - [   0.0002440700000000,  0.0000419800000000, -0.0001466800000000 ]  - [   0.0000388000000000, -0.0002144400000000,  0.0000975800000000 ]  - [  -0.0000743100000000,  0.0002106700000000, -0.0001549800000000 ]  - [  -0.0004509100000000, -0.0006086900000000, -0.0006666000000000 ]  - [   0.0002774400000000,  0.0001756500000000,  0.0002351700000000 ]  - [  -0.0001701000000000, -0.0002053000000000,  0.0001390600000000 ]  - [   0.0001827500000000,  0.0001347200000000, -0.0001021800000000 ]  - [  -0.0002479200000000, -0.0000907300000000,  0.0001600300000000 ]  - [   0.0002347400000000,  0.0000300200000000, -0.0000538200000000 ]  - [  -0.0000195700000000, -0.0004842300000000, -0.0004666100000000 ]  - [   0.0000758900000000,  0.0000744300000000,  0.0000893800000000 ]  - [  -0.0053191200000000,  0.0000583500000000,  0.0002184800000000 ]  - [   0.0016233700000000,  0.0003441200000000, -0.0000105700000000 ]  - [   0.0026755200000000, -0.0043140600000000,  0.0002977600000000 ]  - [   0.0022876500000000,  0.0033751600000000, -0.0002071800000000 ]  - [  -0.0000270000000000,  0.0000703300000000, -0.0000710200000000 ]  - [   0.0000257100000000,  0.0000838800000000, -0.0000721200000000 ]  - [  -0.0000060500000000,  0.0000495700000000, -0.0000678100000000 ]  - [  -0.0000035500000000,  0.0000862900000000, -0.0000663900000000 ]  - [   0.0025134100000000,  0.0003520700000000,  0.0004398100000000 ]  - [  -0.0013106300000000,  0.0003463200000000,  0.0003403200000000 ]  - [  -0.0006854600000000,  0.0010023700000000, -0.0010643900000000 ]  - [   0.0001977500000000, -0.0014863600000000,  0.0006531500000000 ]  - [   0.0000808500000000, -0.0000390100000000,  0.0000941500000000 ]  - [  -0.0000659900000000,  0.0000212000000000, -0.0000091000000000 ]  - [  -0.0000527800000000,  0.0000427100000000,  0.0001172700000000 ]  - [   0.0000443400000000, -0.0000315100000000,  0.0000243400000000 ]  - [   0.0001245300000000,  0.0000030900000000,  0.0000298000000000 ]  - [  -0.0001170200000000,  0.0000462900000000,  0.0001017000000000 ]  - [  -0.0000185700000000,  0.0000449200000000, -0.0000532500000000 ]  - [   0.0000075200000000, -0.0000922000000000,  0.0001335100000000 ]  - [   0.0022414400000000, -0.0003440800000000, -0.0003143600000000 ]  - [  -0.0010159300000000,  0.0002708900000000, -0.0005891800000000 ]  - [  -0.0009731500000000,  0.0010615100000000,  0.0008307000000000 ]  - [   0.0005342900000000, -0.0011377000000000, -0.0010033400000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0254016300000000,  0.0021480600000000,  0.0051733500000000 ]  - [   0.0038532900000000,  0.0015661600000000,  0.0010219100000000 ]  - [  -0.0000208800000000, -0.0007762100000000,  0.0002360500000000 ]  - [  -0.0000847200000000,  0.0001110500000000,  0.0000031500000000 ]  - [   0.0000039000000000,  0.0000274400000000, -0.0000260300000000 ]  - [   0.0000377500000000,  0.0000337700000000, -0.0000630000000000 ]  - [   0.0000148800000000,  0.0000174500000000, -0.0000504800000000 ]  - [   0.0000248900000000,  0.0000296400000000, -0.0000348600000000 ]  - [  -0.0004381200000000, -0.0000268300000000,  0.0000851900000000 ]  - [   0.0003500800000000,  0.0001185200000000, -0.0001102200000000 ]  - [  -0.0000326800000000, -0.0003098700000000, -0.0001269400000000 ]  - [   0.0000231200000000,  0.0001012900000000,  0.0000560100000000 ]  - [  -0.0003686700000000,  0.0000496700000000, -0.0011278000000000 ]  - [   0.0002587200000000,  0.0000658100000000,  0.0002758700000000 ]  - [  -0.0000816500000000, -0.0002320000000000,  0.0003358600000000 ]  - [   0.0000561800000000,  0.0000728800000000, -0.0000842700000000 ]  - [  -0.0386996800000000,  0.0281659300000000,  0.0107215900000000 ]  - [   0.0044714100000000,  0.0003161400000000,  0.0009657300000000 ]  - [  -0.0004862000000000, -0.0042174200000000,  0.0009602300000000 ]  - [   0.0010269900000000,  0.0021561000000000, -0.0004113700000000 ]  - [  -0.0000528400000000,  0.0000032400000000, -0.0000969000000000 ]  - [   0.0000538800000000,  0.0000089600000000, -0.0001208400000000 ]  - [  -0.0000104300000000, -0.0000505400000000, -0.0001231700000000 ]  - [   0.0000131100000000,  0.0000229500000000, -0.0000623900000000 ]  - [  -0.0002971200000000, -0.0000472400000000, -0.0031103800000000 ]  - [   0.0002501300000000,  0.0001409500000000,  0.0012748600000000 ]  - [  -0.0001469900000000, -0.0002635900000000,  0.0001667300000000 ]  - [   0.0001428500000000,  0.0002240300000000,  0.0000326500000000 ]  - [  -0.0002674400000000,  0.0001422000000000,  0.0003095500000000 ]  - [   0.0004146200000000,  0.0001237600000000, -0.0003524100000000 ]  - [  -0.0001113300000000, -0.0004677500000000, -0.0001710300000000 ]  - [   0.0000261000000000,  0.0001966300000000, -0.0000421100000000 ]  - [   0.0853539000000000, -0.0487312000000000, -0.0284657700000000 ]  - [  -0.0022209700000000,  0.0001829700000000,  0.0000083100000000 ]  - [  -0.0003042100000000,  0.0018350300000000,  0.0000412400000000 ]  - [   0.0002290700000000, -0.0010274200000000, -0.0001520900000000 ]  - [   0.0000795600000000, -0.0000238100000000,  0.0000592500000000 ]  - [   0.0000076600000000, -0.0000152500000000,  0.0000649700000000 ]  - [   0.0000384900000000,  0.0000168500000000,  0.0000645800000000 ]  - [   0.0000444700000000, -0.0000381400000000,  0.0000515700000000 ]  - [  -0.0005820500000000,  0.0000238200000000,  0.0008188400000000 ]  - [   0.0003058500000000,  0.0000323800000000, -0.0004093400000000 ]  - [   0.0001544000000000, -0.0000369300000000,  0.0000290800000000 ]  - [  -0.0000011500000000,  0.0001880700000000, -0.0000779600000000 ]  - [   0.0000464000000000,  0.0000235700000000, -0.0002925500000000 ]  - [  -0.0001106000000000, -0.0001238000000000,  0.0004843700000000 ]  - [   0.0001600200000000,  0.0000804300000000,  0.0000087400000000 ]  - [   0.0000203300000000,  0.0001745100000000,  0.0000307400000000 ]  - [   0.0026832800000000,  0.0051141100000000,  0.0081019100000000 ]  - [  -0.0010287100000000, -0.0001918200000000, -0.0006762900000000 ]  - [   0.0001530000000000,  0.0009375000000000, -0.0008438400000000 ]  - [  -0.0002620900000000, -0.0004559100000000,  0.0003460000000000 ]  - [   0.0000955000000000, -0.0000041300000000,  0.0000969800000000 ]  - [  -0.0000895700000000, -0.0000333700000000,  0.0001464500000000 ]  - [   0.0000053700000000,  0.0000682200000000,  0.0001540700000000 ]  - [  -0.0000130100000000, -0.0000319500000000,  0.0000535800000000 ]  - [  -0.0018145600000000,  0.0004067300000000,  0.0058256400000000 ]  - [  -0.0008769900000000, -0.0003735200000000, -0.0014625000000000 ]  - [   0.0001472200000000,  0.0002868000000000, -0.0001777300000000 ]  - [  -0.0001162000000000, -0.0001304700000000,  0.0000586200000000 ]  - [   0.0000524600000000, -0.0000236900000000, -0.0000028700000000 ]  - [  -0.0000751200000000, -0.0000239500000000,  0.0002202100000000 ]  - [   0.0000251300000000,  0.0000842600000000,  0.0001509200000000 ]  - [  -0.0000080600000000, -0.0000337600000000,  0.0000871500000000 ]  - [  -0.0182628900000000,  0.0136589100000000,  0.0006797700000000 ]  - [  -0.0055223900000000, -0.0027646700000000, -0.0005149500000000 ]  - [   0.0011339200000000,  0.0012515400000000, -0.0000739600000000 ]  - [  -0.0009522400000000, -0.0002078700000000, -0.0001290100000000 ]  - [  -0.0000348300000000, -0.0000518500000000,  0.0000545100000000 ]  - [  -0.0000733100000000, -0.0000622900000000,  0.0000491300000000 ]  - [  -0.0000389300000000, -0.0000471300000000,  0.0000498600000000 ]  - [  -0.0000725000000000, -0.0000469200000000,  0.0000412600000000 ]  - [   0.0004176700000000, -0.0004198000000000,  0.0007161900000000 ]  - [  -0.0003449000000000,  0.0001219200000000, -0.0003263300000000 ]  - [  -0.0001407800000000,  0.0002520200000000,  0.0000476000000000 ]  - [  -0.0000283000000000, -0.0001330500000000, -0.0000846100000000 ]  - [   0.0004162600000000, -0.0001500500000000,  0.0000073500000000 ]  - [  -0.0003438700000000,  0.0000063900000000,  0.0001398100000000 ]  - [  -0.0001409200000000,  0.0002609200000000, -0.0001045100000000 ]  - [  -0.0000282700000000, -0.0001589200000000,  0.0001449500000000 ]  - [   0.0004609900000000,  0.0004865900000000,  0.0006537100000000 ]  - [  -0.0002624700000000, -0.0002958700000000, -0.0002466800000000 ]  - [   0.0001845100000000,  0.0000851400000000, -0.0001486500000000 ]  - [  -0.0001693500000000, -0.0002531400000000,  0.0000914100000000 ]  - [   0.0002586600000000, -0.0000275900000000, -0.0001698900000000 ]  - [  -0.0002191900000000, -0.0001494300000000,  0.0000447300000000 ]  - [   0.0000342100000000,  0.0003592000000000,  0.0004522600000000 ]  - [  -0.0000632800000000, -0.0001929400000000, -0.0000985600000000 ]  - [   0.0053178600000000, -0.0001026100000000, -0.0002309500000000 ]  - [  -0.0016326900000000, -0.0002165300000000,  0.0000016400000000 ]  - [  -0.0026624500000000,  0.0043872500000000, -0.0003062000000000 ]  - [  -0.0023206600000000, -0.0032859200000000,  0.0002001200000000 ]  - [   0.0000138600000000,  0.0000495900000000,  0.0000607900000000 ]  - [  -0.0000392000000000,  0.0000353300000000,  0.0000624500000000 ]  - [  -0.0000078400000000,  0.0000697900000000,  0.0000579100000000 ]  - [  -0.0000096400000000,  0.0000332500000000,  0.0000563800000000 ]  - [  -0.0025023600000000, -0.0003684900000000, -0.0005361800000000 ]  - [   0.0013069900000000, -0.0003429100000000, -0.0004147100000000 ]  - [   0.0006842200000000, -0.0010065900000000,  0.0009887900000000 ]  - [  -0.0001840400000000,  0.0014795000000000, -0.0007351500000000 ]  - [  -0.0000783300000000,  0.0000367500000000, -0.0001739200000000 ]  - [   0.0000680900000000, -0.0000224900000000, -0.0000719500000000 ]  - [   0.0000547300000000, -0.0000446200000000, -0.0001973800000000 ]  - [  -0.0000414100000000,  0.0000295400000000, -0.0001047500000000 ]  - [  -0.0001265600000000, -0.0000018600000000, -0.0001096400000000 ]  - [   0.0001145100000000, -0.0000448800000000, -0.0001809900000000 ]  - [   0.0000161200000000, -0.0000437300000000, -0.0000263900000000 ]  - [  -0.0000091900000000,  0.0000935600000000, -0.0002133900000000 ]  - [  -0.0022388400000000,  0.0003285600000000,  0.0002474700000000 ]  - [   0.0010081200000000, -0.0002651600000000,  0.0005009600000000 ]  - [   0.0009636100000000, -0.0010606300000000, -0.0009189200000000 ]  - [  -0.0005230500000000,  0.0011348800000000,  0.0009217900000000 ]- atom:   33  displacement:    [  -0.0049999999972280,  0.0086602540394448,  0.0000000000000000 ]  forces:  - [  -0.0135531300000000,  0.0060243100000000,  0.0030001200000000 ]  - [   0.0018368400000000,  0.0028888400000000,  0.0009237800000000 ]  - [   0.0011861700000000, -0.0032968000000000,  0.0009383900000000 ]  - [  -0.0006918600000000, -0.0013435700000000, -0.0000564400000000 ]  - [   0.0000175800000000,  0.0000515400000000, -0.0000619800000000 ]  - [   0.0000249700000000,  0.0000535400000000, -0.0000895800000000 ]  - [   0.0000219800000000,  0.0000019600000000, -0.0001083000000000 ]  - [   0.0000173300000000,  0.0000010800000000, -0.0000483300000000 ]  - [  -0.0002399400000000,  0.0002677200000000,  0.0001567800000000 ]  - [   0.0002140300000000,  0.0001171600000000, -0.0000665000000000 ]  - [   0.0001833000000000, -0.0003833200000000, -0.0002227500000000 ]  - [  -0.0002457200000000, -0.0001080100000000, -0.0000414700000000 ]  - [  -0.0002551700000000,  0.0004745000000000, -0.0021581200000000 ]  - [   0.0001433700000000,  0.0001123100000000,  0.0000283600000000 ]  - [   0.0001911400000000, -0.0003960100000000,  0.0006461400000000 ]  - [  -0.0002714800000000, -0.0002057900000000,  0.0001031200000000 ]  - [  -0.0453406100000000,  0.0770400300000000,  0.0223050700000000 ]  - [   0.0018766100000000,  0.0004485100000000,  0.0004692300000000 ]  - [   0.0026919400000000, -0.0057255200000000,  0.0013566400000000 ]  - [  -0.0010136300000000, -0.0009950400000000,  0.0000943400000000 ]  - [  -0.0000347600000000,  0.0000599000000000, -0.0001476100000000 ]  - [   0.0000261000000000,  0.0000115900000000, -0.0001559400000000 ]  - [   0.0000408000000000, -0.0000665100000000, -0.0001881400000000 ]  - [  -0.0000279800000000, -0.0000202600000000, -0.0001385700000000 ]  - [   0.0000275400000000,  0.0005610800000000, -0.0024046900000000 ]  - [  -0.0001795400000000,  0.0003705200000000,  0.0006913900000000 ]  - [   0.0000077100000000, -0.0004476000000000,  0.0009708900000000 ]  - [   0.0001014100000000, -0.0005041800000000, -0.0002624500000000 ]  - [  -0.0001865000000000,  0.0008769800000000,  0.0001697500000000 ]  - [   0.0002691100000000,  0.0003911900000000, -0.0003222500000000 ]  - [  -0.0000483800000000, -0.0008666500000000, -0.0004370400000000 ]  - [   0.0000295800000000, -0.0004187400000000,  0.0000562600000000 ]  - [   0.0861559800000000, -0.1217759800000000, -0.0447111400000000 ]  - [  -0.0012696100000000, -0.0004653900000000, -0.0001256100000000 ]  - [  -0.0017395600000000,  0.0029227500000000,  0.0001485900000000 ]  - [   0.0010091400000000,  0.0005893500000000, -0.0001308600000000 ]  - [   0.0000648300000000, -0.0000615800000000,  0.0000865100000000 ]  - [   0.0000209500000000, -0.0000204600000000,  0.0000865600000000 ]  - [   0.0000086400000000,  0.0000410800000000,  0.0001027200000000 ]  - [   0.0000597400000000,  0.0000001900000000,  0.0000818700000000 ]  - [  -0.0004949700000000, -0.0000591100000000,  0.0006349700000000 ]  - [   0.0004117800000000, -0.0003209100000000, -0.0000054300000000 ]  - [   0.0002665100000000,  0.0001602600000000, -0.0002559700000000 ]  - [  -0.0001352200000000,  0.0003456400000000,  0.0000224500000000 ]  - [   0.0000286300000000, -0.0001705500000000, -0.0001775400000000 ]  - [  -0.0000742200000000, -0.0006734500000000,  0.0003683100000000 ]  - [   0.0002054000000000,  0.0003667400000000,  0.0002123800000000 ]  - [  -0.0000460900000000,  0.0004153800000000, -0.0000421300000000 ]  - [  -0.0028945700000000,  0.0048986900000000,  0.0153087000000000 ]  - [  -0.0004685900000000, -0.0002769600000000, -0.0002523900000000 ]  - [  -0.0006648100000000,  0.0013871800000000, -0.0013018000000000 ]  - [   0.0004198900000000,  0.0004045500000000, -0.0000232000000000 ]  - [   0.0000510300000000, -0.0000742200000000,  0.0001210800000000 ]  - [  -0.0000554100000000, -0.0000341900000000,  0.0001644100000000 ]  - [  -0.0000484100000000,  0.0000875600000000,  0.0002132700000000 ]  - [   0.0000521000000000,  0.0000187400000000,  0.0001308000000000 ]  - [  -0.0017554400000000, -0.0013293600000000,  0.0042509500000000 ]  - [  -0.0002302000000000, -0.0008323700000000, -0.0009838700000000 ]  - [  -0.0001760400000000,  0.0009038200000000, -0.0011143800000000 ]  - [   0.0001179400000000,  0.0006682600000000,  0.0002742800000000 ]  - [   0.0000334600000000, -0.0001597800000000,  0.0000656600000000 ]  - [  -0.0000436000000000, -0.0000734000000000,  0.0002266100000000 ]  - [   0.0000124400000000,  0.0001565300000000,  0.0002988500000000 ]  - [  -0.0000084700000000,  0.0000834600000000,  0.0000449000000000 ]  - [  -0.0195882400000000,  0.0081944200000000,  0.0004908500000000 ]  - [  -0.0011779000000000, -0.0022352900000000, -0.0004009200000000 ]  - [  -0.0003851900000000,  0.0047571300000000, -0.0002769100000000 ]  - [   0.0000436600000000,  0.0011063700000000, -0.0000581500000000 ]  - [  -0.0000396100000000, -0.0000724600000000,  0.0000845000000000 ]  - [  -0.0000546100000000, -0.0000719700000000,  0.0000749800000000 ]  - [  -0.0000594000000000, -0.0000315700000000,  0.0000737300000000 ]  - [  -0.0000404200000000, -0.0000278300000000,  0.0000791200000000 ]  - [   0.0003360500000000, -0.0006664900000000,  0.0004087300000000 ]  - [  -0.0001826400000000, -0.0000714700000000, -0.0002055800000000 ]  - [  -0.0003020400000000,  0.0004394300000000, -0.0001323000000000 ]  - [   0.0001205100000000,  0.0003617600000000,  0.0003571500000000 ]  - [   0.0005691400000000, -0.0005306700000000,  0.0004851800000000 ]  - [  -0.0002822400000000, -0.0001288300000000,  0.0002551400000000 ]  - [  -0.0002936800000000,  0.0004432500000000, -0.0001375700000000 ]  - [   0.0000978500000000,  0.0003482900000000, -0.0003287000000000 ]  - [  -0.0000315500000000,  0.0001287800000000,  0.0008081200000000 ]  - [  -0.0000371300000000, -0.0001923200000000, -0.0000814700000000 ]  - [   0.0000254500000000, -0.0000269200000000, -0.0003885300000000 ]  - [   0.0000720500000000,  0.0000320200000000,  0.0000265400000000 ]  - [  -0.0000996600000000, -0.0003928900000000, -0.0005513300000000 ]  - [  -0.0001041300000000, -0.0002236200000000, -0.0000514800000000 ]  - [  -0.0000819700000000,  0.0006381800000000,  0.0008543000000000 ]  - [   0.0001405000000000,  0.0000964000000000,  0.0001320900000000 ]  - [   0.0013448600000000,  0.0218206700000000,  0.0003826400000000 ]  - [  -0.0010028800000000,  0.0005060100000000, -0.0001222400000000 ]  - [  -0.0043641200000000,  0.0038424300000000, -0.0001738800000000 ]  - [   0.0015246100000000, -0.0004469600000000, -0.0002256000000000 ]  - [  -0.0000017000000000,  0.0000242200000000,  0.0000997500000000 ]  - [  -0.0000386300000000,  0.0000460900000000,  0.0000841800000000 ]  - [  -0.0000255800000000,  0.0000551700000000,  0.0000873800000000 ]  - [   0.0000141800000000,  0.0000379700000000,  0.0000839700000000 ]  - [  -0.0016817000000000,  0.0011024300000000, -0.0008795600000000 ]  - [   0.0010843500000000, -0.0003419600000000, -0.0004026400000000 ]  - [   0.0011415500000000, -0.0010156500000000,  0.0012156100000000 ]  - [  -0.0013680700000000,  0.0003765200000000,  0.0010585100000000 ]  - [  -0.0000700600000000,  0.0000956400000000, -0.0000695900000000 ]  - [   0.0000566300000000, -0.0000249300000000, -0.0001035300000000 ]  - [   0.0001128900000000, -0.0000612900000000, -0.0002807500000000 ]  - [  -0.0000934400000000, -0.0000104700000000, -0.0002512300000000 ]  - [  -0.0000914100000000,  0.0000254700000000, -0.0003199100000000 ]  - [   0.0000806500000000, -0.0000576400000000, -0.0001971100000000 ]  - [   0.0000560300000000, -0.0000296200000000, -0.0000584300000000 ]  - [  -0.0000503100000000,  0.0000654000000000, -0.0001496300000000 ]  - [  -0.0016590200000000,  0.0016265700000000,  0.0012674500000000 ]  - [   0.0009329200000000, -0.0001050900000000,  0.0005274600000000 ]  - [   0.0015714900000000, -0.0014031900000000, -0.0010280100000000 ]  - [  -0.0017501000000000, -0.0000987300000000, -0.0007819600000000 ]- atom:   33  displacement:    [   0.0049999999972280, -0.0086602540394448,  0.0000000000000000 ]  forces:  - [   0.0141985100000000, -0.0059440100000000, -0.0031132100000000 ]  - [  -0.0018109400000000, -0.0028197600000000, -0.0008630300000000 ]  - [  -0.0011464500000000,  0.0033440100000000, -0.0008748900000000 ]  - [   0.0007407200000000,  0.0014029800000000,  0.0001183100000000 ]  - [   0.0000233100000000,  0.0000023000000000,  0.0001187100000000 ]  - [   0.0000160300000000,  0.0000000900000000,  0.0001470300000000 ]  - [   0.0000187500000000,  0.0000523300000000,  0.0001648300000000 ]  - [   0.0000237400000000,  0.0000529600000000,  0.0001051300000000 ]  - [   0.0001981100000000, -0.0003178200000000, -0.0001043800000000 ]  - [  -0.0002536400000000, -0.0001688500000000,  0.0001208700000000 ]  - [  -0.0002227300000000,  0.0003288200000000,  0.0002791000000000 ]  - [   0.0002049500000000,  0.0000555400000000,  0.0000964900000000 ]  - [   0.0002128700000000, -0.0005255500000000,  0.0022177800000000 ]  - [  -0.0001824800000000, -0.0001649400000000,  0.0000257300000000 ]  - [  -0.0002306700000000,  0.0003426600000000, -0.0005956300000000 ]  - [   0.0002301900000000,  0.0001530100000000, -0.0000486800000000 ]  - [   0.0422210200000000, -0.0717815800000000, -0.0199682300000000 ]  - [  -0.0018534800000000, -0.0004553500000000, -0.0004179500000000 ]  - [  -0.0027009500000000,  0.0057444400000000, -0.0013221500000000 ]  - [   0.0010050700000000,  0.0009739900000000, -0.0000449600000000 ]  - [   0.0000365800000000, -0.0000676800000000,  0.0001939000000000 ]  - [  -0.0000238200000000, -0.0000191800000000,  0.0002025800000000 ]  - [  -0.0000385400000000,  0.0000589700000000,  0.0002345900000000 ]  - [   0.0000299900000000,  0.0000127300000000,  0.0001852200000000 ]  - [  -0.0000264700000000, -0.0005558200000000,  0.0024399600000000 ]  - [   0.0001736900000000, -0.0003632900000000, -0.0006454400000000 ]  - [  -0.0000116800000000,  0.0004558700000000, -0.0009180600000000 ]  - [  -0.0001015000000000,  0.0005098900000000,  0.0003118900000000 ]  - [   0.0001860600000000, -0.0008726900000000, -0.0001226000000000 ]  - [  -0.0002733500000000, -0.0003839800000000,  0.0003680700000000 ]  - [   0.0000448500000000,  0.0008751400000000,  0.0004818200000000 ]  - [  -0.0000295000000000,  0.0004253700000000, -0.0000111200000000 ]  - [  -0.0832743200000000,  0.1160730700000000,  0.0424558800000000 ]  - [   0.0013683200000000,  0.0004180900000000,  0.0001169100000000 ]  - [   0.0018446700000000, -0.0029762600000000, -0.0001573200000000 ]  - [  -0.0009057200000000, -0.0006364500000000,  0.0001222400000000 ]  - [   0.0000381700000000,  0.0000133800000000, -0.0000936000000000 ]  - [   0.0000822300000000, -0.0000283000000000, -0.0000943800000000 ]  - [   0.0000943300000000, -0.0000898700000000, -0.0001105300000000 ]  - [   0.0000432500000000, -0.0000486800000000, -0.0000895400000000 ]  - [   0.0006261200000000,  0.0001692400000000, -0.0006633800000000 ]  - [  -0.0002741900000000,  0.0004311300000000, -0.0000231500000000 ]  - [  -0.0001298600000000, -0.0000513600000000,  0.0002240200000000 ]  - [   0.0002688700000000, -0.0002348400000000, -0.0000549200000000 ]  - [   0.0001051300000000,  0.0002810600000000,  0.0001476800000000 ]  - [   0.0002105600000000,  0.0007835000000000, -0.0004001700000000 ]  - [  -0.0000699500000000, -0.0002575300000000, -0.0002425200000000 ]  - [   0.0001789100000000, -0.0003055300000000,  0.0000139600000000 ]  - [   0.0029091200000000, -0.0049207400000000, -0.0151981800000000 ]  - [   0.0004632900000000,  0.0002760500000000,  0.0002763100000000 ]  - [   0.0006641800000000, -0.0013907200000000,  0.0013394100000000 ]  - [  -0.0004179400000000, -0.0004032100000000,  0.0000483300000000 ]  - [  -0.0000517100000000,  0.0000730000000000, -0.0000948600000000 ]  - [   0.0000541000000000,  0.0000334500000000, -0.0001383700000000 ]  - [   0.0000471500000000, -0.0000877400000000, -0.0001881500000000 ]  - [  -0.0000523400000000, -0.0000194400000000, -0.0001055400000000 ]  - [   0.0017400900000000,  0.0013536900000000, -0.0042156700000000 ]  - [   0.0002362100000000,  0.0008296300000000,  0.0010100300000000 ]  - [   0.0001783600000000, -0.0009038300000000,  0.0011325600000000 ]  - [  -0.0001201000000000, -0.0006681900000000, -0.0002527200000000 ]  - [  -0.0000328900000000,  0.0001600600000000, -0.0000396200000000 ]  - [   0.0000448400000000,  0.0000734600000000, -0.0002005400000000 ]  - [  -0.0000118400000000, -0.0001567000000000, -0.0002714000000000 ]  - [   0.0000090300000000, -0.0000834900000000, -0.0000181300000000 ]  - [   0.0191377000000000, -0.0081824300000000, -0.0004964500000000 ]  - [   0.0010076500000000,  0.0021216400000000,  0.0003685200000000 ]  - [   0.0002437300000000, -0.0049290100000000,  0.0002457300000000 ]  - [  -0.0001693200000000, -0.0012109500000000,  0.0000274700000000 ]  - [  -0.0000950600000000, -0.0000378100000000, -0.0001149600000000 ]  - [  -0.0000801100000000, -0.0000381800000000, -0.0001053300000000 ]  - [  -0.0000752100000000, -0.0000793100000000, -0.0001041200000000 ]  - [  -0.0000945500000000, -0.0000827900000000, -0.0001097200000000 ]  - [  -0.0004399400000000,  0.0007133800000000, -0.0004133200000000 ]  - [   0.0000801200000000,  0.0001182700000000,  0.0001971200000000 ]  - [   0.0001984300000000, -0.0003907700000000,  0.0001220300000000 ]  - [  -0.0002233000000000, -0.0003119900000000, -0.0003653700000000 ]  - [  -0.0006730500000000,  0.0005798300000000, -0.0004957100000000 ]  - [   0.0001798800000000,  0.0001761100000000, -0.0002621800000000 ]  - [   0.0001916700000000, -0.0003960000000000,  0.0001317800000000 ]  - [  -0.0002010300000000, -0.0002991600000000,  0.0003201100000000 ]  - [   0.0000456500000000, -0.0002449700000000, -0.0008154700000000 ]  - [   0.0000529400000000,  0.0000738800000000,  0.0000716100000000 ]  - [  -0.0000102000000000, -0.0000947200000000,  0.0003771700000000 ]  - [  -0.0000585200000000, -0.0001522300000000, -0.0000368900000000 ]  - [   0.0001127300000000,  0.0002757100000000,  0.0005421200000000 ]  - [   0.0001197600000000,  0.0001045600000000,  0.0000423300000000 ]  - [   0.0000972000000000, -0.0007592700000000, -0.0008635900000000 ]  - [  -0.0001269300000000, -0.0002156300000000, -0.0001416300000000 ]  - [  -0.0013171900000000, -0.0213598900000000, -0.0003654900000000 ]  - [   0.0009795600000000, -0.0003922800000000,  0.0001128300000000 ]  - [   0.0044125100000000, -0.0037483600000000,  0.0001599100000000 ]  - [  -0.0015218400000000,  0.0005854100000000,  0.0002135700000000 ]  - [  -0.0000129100000000,  0.0000946400000000, -0.0001086900000000 ]  - [   0.0000240300000000,  0.0000724000000000, -0.0000928000000000 ]  - [   0.0000105800000000,  0.0000635800000000, -0.0000961400000000 ]  - [  -0.0000284900000000,  0.0000807800000000, -0.0000928000000000 ]  - [   0.0016746400000000, -0.0011375200000000,  0.0007669500000000 ]  - [  -0.0010844100000000,  0.0003361500000000,  0.0003276800000000 ]  - [  -0.0011370600000000,  0.0010150800000000, -0.0012878800000000 ]  - [   0.0013726300000000, -0.0003650400000000, -0.0011430100000000 ]  - [   0.0000727400000000, -0.0000981500000000, -0.0000120600000000 ]  - [  -0.0000541200000000,  0.0000224500000000,  0.0000215700000000 ]  - [  -0.0001102000000000,  0.0000591200000000,  0.0001985900000000 ]  - [   0.0000959100000000,  0.0000083000000000,  0.0001695400000000 ]  - [   0.0000885500000000, -0.0000244800000000,  0.0002383400000000 ]  - [  -0.0000830100000000,  0.0000585400000000,  0.0001159600000000 ]  - [  -0.0000586800000000,  0.0000314800000000, -0.0000222800000000 ]  - [   0.0000476800000000, -0.0000632900000000,  0.0000682700000000 ]  - [   0.0016490500000000, -0.0016535200000000, -0.0013178600000000 ]  - [  -0.0009396700000000,  0.0001037500000000, -0.0006127000000000 ]  - [  -0.0015712200000000,  0.0014058800000000,  0.0009378900000000 ]  - [   0.0017463400000000,  0.0001102900000000,  0.0007030300000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0051913900000000,  0.0006918900000000,  0.0069967900000000 ]  - [  -0.0005060100000000,  0.0001952000000000,  0.0014919700000000 ]  - [  -0.0000233000000000, -0.0000810300000000,  0.0008263900000000 ]  - [   0.0000146000000000, -0.0001776800000000,  0.0008820900000000 ]  - [   0.0000110200000000,  0.0000311500000000, -0.0005382000000000 ]  - [   0.0000306500000000,  0.0000315400000000, -0.0004939500000000 ]  - [   0.0000202200000000,  0.0000178500000000, -0.0004682500000000 ]  - [   0.0000197800000000,  0.0000271900000000, -0.0004528800000000 ]  - [  -0.0002607000000000,  0.0003225800000000, -0.0008035700000000 ]  - [   0.0001712300000000,  0.0001371900000000, -0.0003738600000000 ]  - [   0.0001692400000000, -0.0004006500000000, -0.0004420500000000 ]  - [  -0.0002044100000000, -0.0001038200000000, -0.0003558500000000 ]  - [   0.0000413600000000, -0.0001923700000000, -0.0025793500000000 ]  - [  -0.0000845500000000, -0.0000513300000000,  0.0001191800000000 ]  - [  -0.0002330800000000,  0.0002100100000000, -0.0000230300000000 ]  - [   0.0001956400000000,  0.0000343400000000,  0.0000272900000000 ]  - [  -0.0108848900000000,  0.0188071000000000,  0.0296135600000000 ]  - [   0.0001452500000000,  0.0001136400000000,  0.0013811200000000 ]  - [   0.0000155700000000, -0.0001891300000000,  0.0021400200000000 ]  - [   0.0000200200000000, -0.0001001500000000,  0.0015646500000000 ]  - [  -0.0000106600000000,  0.0000116000000000, -0.0009473400000000 ]  - [   0.0000091000000000,  0.0000013100000000, -0.0008279200000000 ]  - [   0.0000124000000000, -0.0000233700000000, -0.0008585500000000 ]  - [  -0.0000060600000000, -0.0000038800000000, -0.0008156200000000 ]  - [   0.0005654800000000,  0.0000656100000000, -0.0031516500000000 ]  - [  -0.0007727400000000,  0.0001179700000000, -0.0003693400000000 ]  - [  -0.0000140000000000,  0.0001668000000000,  0.0001360300000000 ]  - [   0.0001828600000000, -0.0004693400000000, -0.0000829400000000 ]  - [  -0.0007957500000000,  0.0002785000000000, -0.0011675900000000 ]  - [   0.0009505000000000,  0.0001250700000000, -0.0008620000000000 ]  - [  -0.0001752100000000, -0.0006949500000000, -0.0007719100000000 ]  - [  -0.0001134500000000,  0.0003073200000000, -0.0006001100000000 ]  - [   0.0287303000000000, -0.0339323900000000, -0.0464590700000000 ]  - [   0.0000397800000000, -0.0001697100000000, -0.0007269700000000 ]  - [   0.0000090800000000,  0.0001239100000000, -0.0007448000000000 ]  - [   0.0001979800000000, -0.0000858900000000, -0.0008392800000000 ]  - [  -0.0000111000000000,  0.0000428700000000,  0.0005148500000000 ]  - [  -0.0000174100000000,  0.0000396400000000,  0.0004318800000000 ]  - [  -0.0000170500000000,  0.0000584200000000,  0.0004338000000000 ]  - [  -0.0000038400000000,  0.0000419800000000,  0.0004356900000000 ]  - [  -0.0007880600000000,  0.0000197700000000,  0.0009184900000000 ]  - [   0.0006117600000000, -0.0000702300000000,  0.0006742100000000 ]  - [   0.0001140100000000, -0.0000299100000000,  0.0001222000000000 ]  - [  -0.0000684600000000,  0.0002408600000000,  0.0001503200000000 ]  - [   0.0004514800000000,  0.0000010200000000,  0.0001646000000000 ]  - [  -0.0007453200000000, -0.0002374100000000,  0.0010684400000000 ]  - [   0.0001445100000000,  0.0002902600000000,  0.0002257900000000 ]  - [   0.0000361400000000, -0.0000379500000000,  0.0001775300000000 ]  - [  -0.0087189200000000,  0.0144911600000000,  0.0160603400000000 ]  - [   0.0000720700000000, -0.0000240500000000, -0.0008183100000000 ]  - [   0.0003481100000000, -0.0003391200000000, -0.0009788400000000 ]  - [  -0.0003144700000000, -0.0000765400000000, -0.0009003500000000 ]  - [   0.0000478000000000, -0.0000713100000000,  0.0008147100000000 ]  - [  -0.0000451300000000, -0.0000356100000000,  0.0006934800000000 ]  - [  -0.0000427100000000,  0.0000851300000000,  0.0007216800000000 ]  - [   0.0000414300000000,  0.0000146100000000,  0.0006624300000000 ]  - [  -0.0045877300000000,  0.0005837600000000,  0.0047643500000000 ]  - [   0.0008228900000000, -0.0001432000000000, -0.0001575100000000 ]  - [   0.0000558900000000, -0.0001400500000000, -0.0004323700000000 ]  - [  -0.0000768700000000,  0.0004717800000000, -0.0003473700000000 ]  - [   0.0001364400000000, -0.0000474100000000,  0.0008456000000000 ]  - [  -0.0001701200000000, -0.0000193400000000,  0.0007471900000000 ]  - [   0.0000320700000000,  0.0001239400000000,  0.0006996900000000 ]  - [   0.0000234100000000, -0.0000560600000000,  0.0006068700000000 ]  - [   0.0003634800000000, -0.0005605700000000, -0.0057143300000000 ]  - [  -0.0002448500000000, -0.0003100000000000, -0.0018643600000000 ]  - [  -0.0002853400000000,  0.0003102600000000, -0.0017474100000000 ]  - [  -0.0001854900000000,  0.0000177400000000, -0.0006711600000000 ]  - [   0.0000360000000000, -0.0000391700000000,  0.0004575500000000 ]  - [   0.0000237400000000, -0.0000356800000000,  0.0004438300000000 ]  - [   0.0000205700000000, -0.0000357700000000,  0.0004493000000000 ]  - [   0.0000203300000000, -0.0000288000000000,  0.0004134800000000 ]  - [  -0.0000374200000000, -0.0005315900000000,  0.0010366100000000 ]  - [   0.0000917600000000, -0.0001903200000000,  0.0002038900000000 ]  - [  -0.0001514600000000,  0.0001211900000000,  0.0001151900000000 ]  - [   0.0000983400000000,  0.0004834300000000,  0.0005253400000000 ]  - [   0.0006699500000000, -0.0000335800000000,  0.0010387900000000 ]  - [  -0.0003745500000000,  0.0000713300000000,  0.0002018000000000 ]  - [  -0.0000005400000000,  0.0002011400000000,  0.0001128800000000 ]  - [  -0.0001337400000000, -0.0004415200000000,  0.0005277900000000 ]  - [  -0.0001105100000000,  0.0004509000000000,  0.0010754000000000 ]  - [   0.0002087700000000,  0.0000858300000000,  0.0002379500000000 ]  - [   0.0001222500000000, -0.0003129200000000,  0.0001772900000000 ]  - [  -0.0000671000000000, -0.0000496200000000,  0.0001895000000000 ]  - [   0.0004123000000000, -0.0002829200000000,  0.0006865600000000 ]  - [  -0.0002771900000000, -0.0001730700000000,  0.0001303700000000 ]  - [  -0.0001798500000000,  0.0007990700000000,  0.0009322200000000 ]  - [   0.0001086400000000, -0.0000742000000000,  0.0001589100000000 ]  - [   0.0001931800000000, -0.0006947400000000, -0.0057030600000000 ]  - [  -0.0000781000000000,  0.0001481700000000, -0.0006602900000000 ]  - [  -0.0001261000000000,  0.0005745400000000, -0.0018523700000000 ]  - [   0.0001985600000000,  0.0002493200000000, -0.0017377200000000 ]  - [  -0.0000366500000000, -0.0000378600000000,  0.0004683200000000 ]  - [  -0.0000443800000000, -0.0000274300000000,  0.0004243800000000 ]  - [  -0.0000326300000000, -0.0000294400000000,  0.0004545800000000 ]  - [  -0.0000305300000000, -0.0000291900000000,  0.0004600700000000 ]  - [  -0.0002377700000000, -0.0001206900000000,  0.0020402900000000 ]  - [   0.0004756500000000, -0.0003565300000000,  0.0005093600000000 ]  - [  -0.0001877800000000,  0.0002191500000000,  0.0005391400000000 ]  - [   0.0006070300000000,  0.0013777400000000,  0.0002546300000000 ]  - [   0.0000155600000000,  0.0001075900000000, -0.0008552300000000 ]  - [  -0.0000204300000000,  0.0000146900000000, -0.0006017800000000 ]  - [   0.0000963200000000, -0.0000422700000000, -0.0006958400000000 ]  - [  -0.0000831400000000, -0.0000889300000000, -0.0007281600000000 ]  - [  -0.0000655500000000, -0.0000675400000000, -0.0008863500000000 ]  - [   0.0000624200000000, -0.0000635600000000, -0.0006762000000000 ]  - [  -0.0000165600000000,  0.0000246800000000, -0.0006052100000000 ]  - [   0.0000218000000000,  0.0001114000000000, -0.0007164100000000 ]  - [  -0.0001035400000000,  0.0006258400000000,  0.0022245200000000 ]  - [  -0.0001507900000000,  0.0000496200000000,  0.0005795700000000 ]  - [   0.0009938200000000, -0.0005157400000000,  0.0005664500000000 ]  - [  -0.0011851200000000, -0.0011890900000000,  0.0003575300000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0052361100000000, -0.0006542700000000, -0.0068946800000000 ]  - [   0.0005370300000000, -0.0001533800000000, -0.0014472500000000 ]  - [   0.0000586600000000,  0.0001509000000000, -0.0007776900000000 ]  - [   0.0000260500000000,  0.0002351600000000, -0.0008298800000000 ]  - [   0.0000293300000000,  0.0000228500000000,  0.0005961300000000 ]  - [   0.0000105900000000,  0.0000219100000000,  0.0005519300000000 ]  - [   0.0000205600000000,  0.0000363700000000,  0.0005257300000000 ]  - [   0.0000212700000000,  0.0000270800000000,  0.0005105000000000 ]  - [   0.0002223400000000, -0.0003782800000000,  0.0008609500000000 ]  - [  -0.0002134400000000, -0.0001905700000000,  0.0004275000000000 ]  - [  -0.0002116700000000,  0.0003512100000000,  0.0004973500000000 ]  - [   0.0001667600000000,  0.0000528700000000,  0.0004102000000000 ]  - [  -0.0000831100000000,  0.0001398700000000,  0.0026285300000000 ]  - [   0.0000444500000000, -0.0000013400000000, -0.0000621700000000 ]  - [   0.0001912300000000, -0.0002609600000000,  0.0000788600000000 ]  - [  -0.0002341300000000, -0.0000860300000000,  0.0000283300000000 ]  - [   0.0106775300000000, -0.0184980500000000, -0.0297448200000000 ]  - [  -0.0001360200000000, -0.0001212700000000, -0.0013281100000000 ]  - [  -0.0000178500000000,  0.0001794200000000, -0.0020877400000000 ]  - [  -0.0000148400000000,  0.0000924800000000, -0.0015117500000000 ]  - [   0.0000129000000000, -0.0000198300000000,  0.0009963600000000 ]  - [  -0.0000072100000000, -0.0000088800000000,  0.0008764700000000 ]  - [  -0.0000106100000000,  0.0000165300000000,  0.0009070100000000 ]  - [   0.0000085700000000, -0.0000032200000000,  0.0008640200000000 ]  - [  -0.0005724700000000, -0.0000607300000000,  0.0032154100000000 ]  - [   0.0007777500000000, -0.0001130200000000,  0.0004122200000000 ]  - [   0.0000113900000000, -0.0001601600000000, -0.0000981900000000 ]  - [  -0.0001869900000000,  0.0004822600000000,  0.0001269600000000 ]  - [   0.0007902100000000, -0.0002725700000000,  0.0012146200000000 ]  - [  -0.0009489200000000, -0.0001185300000000,  0.0009099900000000 ]  - [   0.0001718800000000,  0.0006997300000000,  0.0008206000000000 ]  - [   0.0001103400000000, -0.0002970600000000,  0.0006484400000000 ]  - [  -0.0283205000000000,  0.0337090100000000,  0.0463946900000000 ]  - [   0.0000643100000000,  0.0001237500000000,  0.0007203000000000 ]  - [   0.0000992100000000, -0.0001784100000000,  0.0007361700000000 ]  - [  -0.0000983500000000,  0.0000343600000000,  0.0008321400000000 ]  - [   0.0001145400000000, -0.0000912900000000, -0.0005205300000000 ]  - [   0.0001208500000000, -0.0000889500000000, -0.0004407400000000 ]  - [   0.0001205000000000, -0.0001079400000000, -0.0004427000000000 ]  - [   0.0001070900000000, -0.0000909900000000, -0.0004444300000000 ]  - [   0.0009297800000000,  0.0000906200000000, -0.0009544700000000 ]  - [  -0.0004818400000000,  0.0001818600000000, -0.0007081200000000 ]  - [   0.0000202700000000,  0.0001396400000000, -0.0001507100000000 ]  - [   0.0002050500000000, -0.0001327800000000, -0.0001801900000000 ]  - [  -0.0003141300000000,  0.0001091400000000, -0.0001972000000000 ]  - [   0.0008779200000000,  0.0003476100000000, -0.0010979000000000 ]  - [  -0.0000087000000000, -0.0001798500000000, -0.0002585000000000 ]  - [   0.0000994900000000,  0.0001469000000000, -0.0002098600000000 ]  - [   0.0085444200000000, -0.0141978400000000, -0.0157555700000000 ]  - [  -0.0000738200000000,  0.0000235200000000,  0.0008380900000000 ]  - [  -0.0003465600000000,  0.0003372800000000,  0.0009985000000000 ]  - [   0.0003106400000000,  0.0000745300000000,  0.0009206300000000 ]  - [  -0.0000491500000000,  0.0000713700000000, -0.0007915100000000 ]  - [   0.0000444000000000,  0.0000354600000000, -0.0006687300000000 ]  - [   0.0000420700000000, -0.0000862600000000, -0.0006979500000000 ]  - [  -0.0000424800000000, -0.0000153800000000, -0.0006383800000000 ]  - [   0.0046689100000000, -0.0005921900000000, -0.0047983100000000 ]  - [  -0.0008272000000000,  0.0001469000000000,  0.0001923900000000 ]  - [  -0.0000549200000000,  0.0001379800000000,  0.0004686800000000 ]  - [   0.0000782400000000, -0.0004779300000000,  0.0003780800000000 ]  - [  -0.0001349800000000,  0.0000474800000000, -0.0008208000000000 ]  - [   0.0001702100000000,  0.0000196800000000, -0.0007228700000000 ]  - [  -0.0000311200000000, -0.0001234600000000, -0.0006751500000000 ]  - [  -0.0000222600000000,  0.0000555100000000, -0.0005824200000000 ]  - [  -0.0003852400000000,  0.0003897700000000,  0.0056827400000000 ]  - [   0.0000882700000000,  0.0001945900000000,  0.0018355400000000 ]  - [   0.0001526500000000, -0.0004138100000000,  0.0017213200000000 ]  - [   0.0000488600000000, -0.0001322900000000,  0.0006407500000000 ]  - [  -0.0001718200000000, -0.0000706700000000, -0.0004891600000000 ]  - [  -0.0001590900000000, -0.0000742700000000, -0.0004752800000000 ]  - [  -0.0001555900000000, -0.0000751000000000, -0.0004808200000000 ]  - [  -0.0001562500000000, -0.0000816300000000, -0.0004451200000000 ]  - [  -0.0000653500000000,  0.0005852700000000, -0.0010498900000000 ]  - [  -0.0001959300000000,  0.0002407000000000, -0.0002106400000000 ]  - [   0.0000493200000000, -0.0000742500000000, -0.0001213200000000 ]  - [  -0.0002030800000000, -0.0004397700000000, -0.0005374400000000 ]  - [  -0.0007710600000000,  0.0000840800000000, -0.0010472200000000 ]  - [   0.0002697800000000, -0.0000218700000000, -0.0002123500000000 ]  - [  -0.0001025200000000, -0.0001520100000000, -0.0001230200000000 ]  - [   0.0000294300000000,  0.0004870000000000, -0.0005344400000000 ]  - [   0.0001267400000000, -0.0005733400000000, -0.0010914200000000 ]  - [  -0.0001962600000000, -0.0002053800000000, -0.0002467200000000 ]  - [  -0.0001087900000000,  0.0001959700000000, -0.0001850000000000 ]  - [   0.0000814200000000, -0.0000706000000000, -0.0001983600000000 ]  - [  -0.0003959700000000,  0.0001633100000000, -0.0006952900000000 ]  - [   0.0002900900000000,  0.0000533900000000, -0.0001420100000000 ]  - [   0.0001927600000000, -0.0009153400000000, -0.0009402800000000 ]  - [  -0.0000946700000000, -0.0000464900000000, -0.0001712700000000 ]  - [  -0.0001984600000000,  0.0006716000000000,  0.0056940300000000 ]  - [   0.0000653400000000, -0.0000324400000000,  0.0006516600000000 ]  - [   0.0001040000000000, -0.0004456500000000,  0.0018475600000000 ]  - [  -0.0002064100000000, -0.0001191500000000,  0.0017310700000000 ]  - [   0.0000224200000000,  0.0001578400000000, -0.0004784800000000 ]  - [   0.0000302500000000,  0.0001467200000000, -0.0004340500000000 ]  - [   0.0000182000000000,  0.0001488400000000, -0.0004645900000000 ]  - [   0.0000161000000000,  0.0001484700000000, -0.0004700500000000 ]  - [   0.0001939100000000,  0.0000083400000000, -0.0022553000000000 ]  - [  -0.0004761200000000,  0.0003571500000000, -0.0005974200000000 ]  - [   0.0001873400000000, -0.0002191600000000, -0.0006317100000000 ]  - [  -0.0006038600000000, -0.0013854300000000, -0.0003488600000000 ]  - [  -0.0000133700000000, -0.0001091000000000,  0.0007736400000000 ]  - [   0.0000225700000000, -0.0000165500000000,  0.0005214900000000 ]  - [  -0.0000937000000000,  0.0000400500000000,  0.0006154100000000 ]  - [   0.0000850200000000,  0.0000868500000000,  0.0006475300000000 ]  - [   0.0000638300000000,  0.0000696300000000,  0.0008086900000000 ]  - [  -0.0000653200000000,  0.0000656700000000,  0.0005956300000000 ]  - [   0.0000142200000000, -0.0000235600000000,  0.0005244400000000 ]  - [  -0.0000241600000000, -0.0001109400000000,  0.0006366100000000 ]  - [   0.0000542200000000, -0.0007278800000000, -0.0021793900000000 ]  - [   0.0001484400000000, -0.0000484800000000, -0.0006560800000000 ]  - [  -0.0009958100000000,  0.0005192000000000, -0.0006374200000000 ]  - [   0.0011841000000000,  0.0011909200000000, -0.0004262100000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009423800000000,  0.0006916700000000,  0.0009881200000000 ]  - [  -0.0009822700000000, -0.0015866100000000, -0.0009310700000000 ]  - [   0.0010046200000000, -0.0004657600000000,  0.0000334000000000 ]  - [  -0.0004305400000000,  0.0001831800000000,  0.0000304800000000 ]  - [   0.0000260800000000,  0.0000627900000000, -0.0001756400000000 ]  - [   0.0000107900000000,  0.0000008900000000,  0.0002042600000000 ]  - [   0.0000716400000000,  0.0000187300000000,  0.0000569200000000 ]  - [  -0.0000310700000000,  0.0000250100000000,  0.0000276500000000 ]  - [   0.0001037000000000, -0.0000215800000000,  0.0000258700000000 ]  - [  -0.0001411700000000, -0.0000269800000000,  0.0000138900000000 ]  - [  -0.0000163600000000,  0.0000445700000000,  0.0000319300000000 ]  - [  -0.0000162600000000, -0.0000990900000000,  0.0000341500000000 ]  - [   0.0046467200000000, -0.0000207900000000, -0.0000410700000000 ]  - [  -0.0011922500000000, -0.0000281600000000,  0.0000297900000000 ]  - [  -0.0000935600000000,  0.0006209100000000,  0.0001918900000000 ]  - [  -0.0000794600000000, -0.0006565900000000, -0.0001409400000000 ]  - [   0.0214310500000000,  0.0000030400000000,  0.0002215600000000 ]  - [  -0.0022831700000000, -0.0000428000000000,  0.0000037300000000 ]  - [  -0.0002171700000000,  0.0011785200000000, -0.0001945400000000 ]  - [  -0.0001894600000000, -0.0012225700000000,  0.0002747300000000 ]  - [   0.0001585200000000, -0.0000075100000000,  0.0000222900000000 ]  - [  -0.0001588700000000, -0.0000007300000000,  0.0000120300000000 ]  - [   0.0000069900000000,  0.0000915000000000,  0.0000224500000000 ]  - [   0.0000039300000000, -0.0000983200000000,  0.0000323100000000 ]  - [  -0.0000499200000000,  0.0000647700000000,  0.0004114300000000 ]  - [   0.0000340000000000, -0.0001090700000000, -0.0005071300000000 ]  - [   0.0001426700000000,  0.0000521300000000,  0.0001613300000000 ]  - [  -0.0001525300000000,  0.0000130100000000,  0.0000231300000000 ]  - [  -0.0011894700000000,  0.0019730500000000, -0.0012355900000000 ]  - [  -0.0010211700000000, -0.0008866700000000,  0.0012622800000000 ]  - [   0.0013751200000000,  0.0006923700000000,  0.0000379000000000 ]  - [  -0.0008152200000000, -0.0003116500000000,  0.0000212100000000 ]  - [  -0.0026290400000000, -0.0048909200000000, -0.0086192000000000 ]  - [   0.0010818400000000,  0.0000309800000000,  0.0000667000000000 ]  - [  -0.0001019200000000, -0.0008822800000000,  0.0003412300000000 ]  - [   0.0003125600000000,  0.0006117500000000, -0.0003194100000000 ]  - [  -0.0000447300000000, -0.0000202800000000,  0.0000450900000000 ]  - [   0.0001404000000000, -0.0000364900000000, -0.0000483000000000 ]  - [   0.0000452100000000, -0.0000832600000000, -0.0000460400000000 ]  - [   0.0000638300000000,  0.0000436300000000,  0.0000387900000000 ]  - [   0.0001962600000000,  0.0000504200000000, -0.0001063200000000 ]  - [  -0.0000869000000000,  0.0000903500000000,  0.0000940700000000 ]  - [   0.0000260100000000,  0.0000984500000000, -0.0000830100000000 ]  - [   0.0001439800000000, -0.0000180200000000,  0.0000444200000000 ]  - [   0.0009388200000000, -0.0002444300000000,  0.0001338700000000 ]  - [  -0.0002114900000000,  0.0016740000000000, -0.0028366300000000 ]  - [  -0.0005378500000000,  0.0005382300000000,  0.0005236900000000 ]  - [   0.0005861900000000, -0.0003080500000000, -0.0004633500000000 ]  - [  -0.0280671900000000, -0.0000647900000000, -0.0000851000000000 ]  - [   0.0014225600000000,  0.0000012400000000, -0.0000055100000000 ]  - [   0.0000452200000000, -0.0007969600000000,  0.0000705400000000 ]  - [   0.0000399800000000,  0.0007962200000000, -0.0000335100000000 ]  - [  -0.0000522800000000, -0.0000002100000000,  0.0000137900000000 ]  - [   0.0000529500000000, -0.0000010100000000,  0.0000234300000000 ]  - [  -0.0000031600000000, -0.0000318000000000,  0.0000079500000000 ]  - [  -0.0000017600000000,  0.0000320800000000,  0.0000095800000000 ]  - [   0.0001763800000000, -0.0001216400000000, -0.0004723600000000 ]  - [   0.0001622800000000,  0.0003978700000000,  0.0007456800000000 ]  - [  -0.0002797500000000,  0.0001219800000000, -0.0002305200000000 ]  - [   0.0001882400000000, -0.0000623500000000,  0.0000125100000000 ]  - [   0.0001785600000000, -0.0003891500000000,  0.0007531300000000 ]  - [   0.0001624200000000,  0.0001316600000000, -0.0005662600000000 ]  - [  -0.0002809600000000, -0.0001432300000000, -0.0001449100000000 ]  - [   0.0001885100000000,  0.0000633800000000,  0.0000144600000000 ]  - [   0.0056273200000000,  0.0002584900000000,  0.0166263400000000 ]  - [   0.0014657000000000, -0.0000923100000000, -0.0004869900000000 ]  - [   0.0000720500000000, -0.0004371700000000,  0.0000743400000000 ]  - [  -0.0000748300000000,  0.0003490300000000, -0.0000737100000000 ]  - [  -0.0001567900000000, -0.0000623400000000, -0.0001009300000000 ]  - [   0.0000321500000000, -0.0000477000000000,  0.0000806400000000 ]  - [  -0.0000768100000000, -0.0000733700000000, -0.0000226800000000 ]  - [  -0.0000696200000000, -0.0000358900000000, -0.0000234100000000 ]  - [  -0.0001042300000000,  0.0000322600000000, -0.0001389200000000 ]  - [   0.0000247900000000,  0.0000170800000000,  0.0001662900000000 ]  - [  -0.0000768400000000,  0.0000236100000000, -0.0000351900000000 ]  - [  -0.0000431700000000,  0.0000194400000000, -0.0000267200000000 ]  - [   0.0017675900000000, -0.0009481900000000,  0.0046472200000000 ]  - [   0.0008278000000000,  0.0002605700000000, -0.0008257400000000 ]  - [  -0.0001969900000000, -0.0002653500000000, -0.0000595100000000 ]  - [   0.0000644300000000,  0.0002307800000000,  0.0000728900000000 ]  - [  -0.0000198400000000, -0.0001427700000000, -0.0001062100000000 ]  - [   0.0000631200000000,  0.0000717000000000,  0.0001183100000000 ]  - [  -0.0001201600000000, -0.0001266600000000,  0.0000225600000000 ]  - [   0.0001082500000000, -0.0000398800000000, -0.0000415400000000 ]  - [  -0.0000683800000000, -0.0009833000000000,  0.0002819500000000 ]  - [   0.0003783800000000,  0.0005269200000000, -0.0000972800000000 ]  - [  -0.0014681500000000, -0.0015591500000000, -0.0018139600000000 ]  - [   0.0008181600000000,  0.0002106000000000,  0.0003698400000000 ]  - [  -0.0030044100000000,  0.0049926500000000, -0.0080928600000000 ]  - [   0.0010771500000000,  0.0000796200000000,  0.0002137600000000 ]  - [   0.0002007100000000, -0.0006062500000000, -0.0000223000000000 ]  - [  -0.0000266200000000,  0.0010783000000000,  0.0001135500000000 ]  - [  -0.0000902600000000,  0.0000636500000000,  0.0000333800000000 ]  - [   0.0000694800000000,  0.0000641200000000, -0.0000377100000000 ]  - [   0.0000091000000000, -0.0000156200000000,  0.0000491300000000 ]  - [  -0.0000176500000000,  0.0001253900000000, -0.0000570800000000 ]  - [   0.0003727400000000,  0.0000890800000000,  0.0001462100000000 ]  - [  -0.0002064000000000, -0.0000718700000000, -0.0000397700000000 ]  - [  -0.0001695700000000,  0.0004994600000000, -0.0007979300000000 ]  - [  -0.0002472400000000, -0.0001729300000000,  0.0005276500000000 ]  - [   0.0003091600000000, -0.0000439900000000,  0.0000305800000000 ]  - [  -0.0002180000000000,  0.0000304200000000, -0.0000411700000000 ]  - [  -0.0000742800000000,  0.0001576600000000,  0.0003525100000000 ]  - [  -0.0000566500000000, -0.0002744500000000, -0.0005065300000000 ]  - [   0.0000336600000000, -0.0000018600000000, -0.0000334200000000 ]  - [  -0.0000375300000000, -0.0000026000000000, -0.0000410000000000 ]  - [   0.0000016800000000,  0.0000230500000000, -0.0000615600000000 ]  - [  -0.0000035500000000, -0.0000169100000000, -0.0000272200000000 ]  - [   0.0017600000000000, -0.0000210800000000, -0.0001853800000000 ]  - [  -0.0004372700000000, -0.0000234100000000, -0.0000387200000000 ]  - [  -0.0004690200000000,  0.0013435000000000,  0.0003696300000000 ]  - [  -0.0004179200000000, -0.0012009800000000, -0.0002885800000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0009984100000000, -0.0006361200000000, -0.0009241500000000 ]  - [   0.0010166400000000,  0.0016396300000000,  0.0009922800000000 ]  - [  -0.0009696600000000,  0.0005336100000000,  0.0000211700000000 ]  - [   0.0004716300000000, -0.0001320300000000,  0.0000304900000000 ]  - [   0.0000146700000000, -0.0000085300000000,  0.0002315000000000 ]  - [   0.0000302400000000,  0.0000528100000000, -0.0001468000000000 ]  - [  -0.0000307900000000,  0.0000357300000000, -0.0000001700000000 ]  - [   0.0000721200000000,  0.0000290300000000,  0.0000281600000000 ]  - [  -0.0001445400000000, -0.0000303500000000,  0.0000258900000000 ]  - [   0.0001008900000000, -0.0000251100000000,  0.0000392200000000 ]  - [  -0.0000241500000000, -0.0000976200000000,  0.0000217100000000 ]  - [  -0.0000237900000000,  0.0000473400000000,  0.0000191900000000 ]  - [  -0.0046833800000000, -0.0000298700000000, -0.0000413100000000 ]  - [   0.0011518900000000, -0.0000226300000000,  0.0000220700000000 ]  - [   0.0000524800000000, -0.0006748100000000, -0.0001368300000000 ]  - [   0.0000388100000000,  0.0006021600000000,  0.0001953500000000 ]  - [  -0.0214250500000000, -0.0000027900000000,  0.0002215600000000 ]  - [   0.0022852600000000,  0.0000382700000000,  0.0000550900000000 ]  - [   0.0002202900000000, -0.0011885700000000,  0.0002492700000000 ]  - [   0.0001932800000000,  0.0012119500000000, -0.0002201700000000 ]  - [  -0.0001563100000000, -0.0000003700000000,  0.0000225100000000 ]  - [   0.0001607500000000, -0.0000066700000000,  0.0000327100000000 ]  - [  -0.0000049000000000, -0.0000985500000000,  0.0000221500000000 ]  - [  -0.0000016400000000,  0.0000907900000000,  0.0000125300000000 ]  - [   0.0000489100000000, -0.0000584600000000, -0.0003688000000000 ]  - [  -0.0000374600000000,  0.0001162100000000,  0.0005531000000000 ]  - [  -0.0001455200000000, -0.0000443400000000, -0.0001182500000000 ]  - [   0.0001507300000000, -0.0000065500000000,  0.0000232600000000 ]  - [   0.0011875500000000, -0.0019585600000000,  0.0012766200000000 ]  - [   0.0010103100000000,  0.0008994300000000, -0.0012217800000000 ]  - [  -0.0013722900000000, -0.0006796200000000,  0.0000103100000000 ]  - [   0.0008135900000000,  0.0003130000000000,  0.0000213500000000 ]  - [   0.0026505800000000,  0.0048587100000000,  0.0086424200000000 ]  - [  -0.0009776200000000, -0.0000822400000000, -0.0000791100000000 ]  - [   0.0002100400000000,  0.0008321700000000, -0.0003532400000000 ]  - [  -0.0002119600000000, -0.0006585900000000,  0.0003057500000000 ]  - [   0.0001474900000000, -0.0000278900000000, -0.0000516200000000 ]  - [  -0.0000372400000000, -0.0000126400000000,  0.0000412900000000 ]  - [   0.0000576600000000,  0.0000342100000000,  0.0000388600000000 ]  - [   0.0000381600000000, -0.0000919900000000, -0.0000451900000000 ]  - [  -0.0000623900000000,  0.0000598500000000,  0.0000766700000000 ]  - [   0.0002230200000000,  0.0000196300000000, -0.0001234700000000 ]  - [   0.0001088800000000,  0.0000108500000000,  0.0000536400000000 ]  - [  -0.0000091500000000,  0.0001287200000000, -0.0000748300000000 ]  - [  -0.0008032800000000,  0.0003516800000000, -0.0001623000000000 ]  - [   0.0003639700000000, -0.0015676200000000,  0.0028099000000000 ]  - [   0.0006680600000000, -0.0004274100000000, -0.0005523400000000 ]  - [  -0.0004517200000000,  0.0004213600000000,  0.0004366600000000 ]  - [   0.0281956400000000, -0.0000648100000000, -0.0000823800000000 ]  - [  -0.0014232300000000, -0.0000048500000000,  0.0000262300000000 ]  - [  -0.0000465400000000,  0.0008000000000000, -0.0000493200000000 ]  - [  -0.0000406300000000, -0.0007932000000000,  0.0000549300000000 ]  - [   0.0000514200000000, -0.0000005100000000,  0.0000139700000000 ]  - [  -0.0000541000000000,  0.0000005300000000,  0.0000043000000000 ]  - [   0.0000021100000000,  0.0000315300000000,  0.0000191000000000 ]  - [   0.0000008000000000, -0.0000327500000000,  0.0000177800000000 ]  - [  -0.0001797300000000,  0.0001225500000000,  0.0005020400000000 ]  - [  -0.0001598800000000, -0.0003981100000000, -0.0007194800000000 ]  - [   0.0002819000000000, -0.0001245300000000,  0.0002604900000000 ]  - [  -0.0001879600000000,  0.0000631600000000,  0.0000125200000000 ]  - [  -0.0001775300000000,  0.0003873300000000, -0.0007229700000000 ]  - [  -0.0001598300000000, -0.0001321100000000,  0.0005933700000000 ]  - [   0.0002807100000000,  0.0001424800000000,  0.0001713700000000 ]  - [  -0.0001876800000000, -0.0000622300000000,  0.0000144800000000 ]  - [  -0.0057787700000000, -0.0003682000000000, -0.0168486200000000 ]  - [  -0.0016037600000000, -0.0000197200000000,  0.0004466400000000 ]  - [  -0.0002082000000000,  0.0003314400000000, -0.0001070900000000 ]  - [  -0.0000617000000000, -0.0004625100000000,  0.0000406400000000 ]  - [   0.0000219500000000, -0.0000475800000000,  0.0000711300000000 ]  - [  -0.0001667600000000, -0.0000622300000000, -0.0001098600000000 ]  - [  -0.0000575000000000, -0.0000365700000000, -0.0000066100000000 ]  - [  -0.0000655400000000, -0.0000744200000000, -0.0000064800000000 ]  - [   0.0000010200000000,  0.0000163600000000,  0.0001326200000000 ]  - [  -0.0001273200000000,  0.0000312300000000, -0.0001739100000000 ]  - [  -0.0000265200000000,  0.0000244300000000,  0.0000279000000000 ]  - [  -0.0000598500000000,  0.0000298200000000,  0.0000190300000000 ]  - [  -0.0018624100000000,  0.0009923700000000, -0.0046087400000000 ]  - [  -0.0009300000000000, -0.0002155500000000,  0.0008246200000000 ]  - [   0.0000943900000000,  0.0003120300000000,  0.0000514200000000 ]  - [  -0.0001674500000000, -0.0001782000000000, -0.0000820800000000 ]  - [   0.0000339800000000,  0.0000240800000000,  0.0000978100000000 ]  - [  -0.0000484200000000, -0.0001909100000000, -0.0001273800000000 ]  - [   0.0001351200000000,  0.0000072400000000, -0.0000309800000000 ]  - [  -0.0000945000000000, -0.0000795800000000,  0.0000324300000000 ]  - [   0.0000798000000000,  0.0008620300000000, -0.0002919600000000 ]  - [  -0.0003628300000000, -0.0006476900000000,  0.0000884100000000 ]  - [   0.0014927300000000,  0.0014323300000000,  0.0017956900000000 ]  - [  -0.0008022200000000, -0.0003273000000000, -0.0003748000000000 ]  - [   0.0029186300000000, -0.0048954000000000,  0.0081188700000000 ]  - [  -0.0010912300000000,  0.0000402000000000, -0.0002294100000000 ]  - [  -0.0002177600000000,  0.0007262500000000,  0.0000097000000000 ]  - [   0.0000162700000000, -0.0009562200000000, -0.0001250100000000 ]  - [   0.0000758000000000,  0.0000556100000000, -0.0000416100000000 ]  - [  -0.0000833600000000,  0.0000540200000000,  0.0000303200000000 ]  - [  -0.0000237600000000,  0.0001343300000000, -0.0000570800000000 ]  - [   0.0000033400000000, -0.0000064200000000,  0.0000489600000000 ]  - [  -0.0003723300000000, -0.0000953400000000, -0.0002316300000000 ]  - [   0.0002092800000000,  0.0000714100000000, -0.0000401600000000 ]  - [   0.0001685600000000, -0.0005002300000000,  0.0007168500000000 ]  - [   0.0002555600000000,  0.0001730300000000, -0.0006111300000000 ]  - [  -0.0003060400000000,  0.0000422100000000, -0.0001121700000000 ]  - [   0.0002201700000000, -0.0000308600000000, -0.0000414700000000 ]  - [   0.0000750300000000, -0.0001594100000000, -0.0004354300000000 ]  - [   0.0000599100000000,  0.0002720200000000,  0.0004226200000000 ]  - [  -0.0000363100000000,  0.0000025800000000, -0.0000484300000000 ]  - [   0.0000351700000000,  0.0000036600000000, -0.0000413700000000 ]  - [  -0.0000043700000000, -0.0000220800000000, -0.0000206700000000 ]  - [   0.0000013300000000,  0.0000181700000000, -0.0000549600000000 ]  - [  -0.0017625400000000,  0.0000152200000000,  0.0001136100000000 ]  - [   0.0004345000000000,  0.0000284000000000, -0.0000391500000000 ]  - [   0.0003478600000000, -0.0012786100000000, -0.0004403800000000 ]  - [   0.0005321200000000,  0.0012628900000000,  0.0002205500000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0029149500000000, -0.0007468000000000, -0.0000643200000000 ]  - [  -0.0021042200000000, -0.0021510200000000, -0.0000643200000000 ]  - [  -0.0008107300000000,  0.0028978200000000, -0.0000643200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004612400000000 ]  - [  -0.0000749600000000,  0.0000391600000000, -0.0008499700000000 ]  - [   0.0000713900000000,  0.0000453400000000, -0.0008499700000000 ]  - [   0.0000035700000000, -0.0000845000000000, -0.0008499700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005605600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009561100000000 ]  - [  -0.0000173000000000,  0.0000173500000000, -0.0007106400000000 ]  - [  -0.0000063800000000, -0.0000236600000000, -0.0007106400000000 ]  - [   0.0000236700000000,  0.0000063100000000, -0.0007106400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0302195100000000 ]  - [   0.0000278200000000, -0.0001466900000000,  0.0010378200000000 ]  - [   0.0001131300000000,  0.0000974400000000,  0.0010378200000000 ]  - [  -0.0001409500000000,  0.0000492500000000,  0.0010378200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0862874000000000 ]  - [   0.0001415200000000,  0.0001784200000000,  0.0025039000000000 ]  - [  -0.0002252800000000,  0.0000333500000000,  0.0025039000000000 ]  - [   0.0000837600000000, -0.0002117800000000,  0.0025039000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015393600000000 ]  - [  -0.0000330000000000, -0.0000298400000000, -0.0012979000000000 ]  - [   0.0000423400000000, -0.0000136500000000, -0.0012979000000000 ]  - [  -0.0000093500000000,  0.0000435000000000, -0.0012979000000000 ]  - [   0.0002212300000000, -0.0001491500000000, -0.0015472000000000 ]  - [  -0.0002397800000000, -0.0001170200000000, -0.0015472000000000 ]  - [   0.0000185500000000,  0.0002661600000000, -0.0015472000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008121200000000 ]  - [  -0.0026753000000000,  0.0030676900000000, -0.0013044100000000 ]  - [   0.0039943400000000,  0.0007830300000000, -0.0013044100000000 ]  - [  -0.0013190500000000, -0.0038507200000000, -0.0013044100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000297300000000 ]  - [  -0.0080009200000000,  0.0127997800000000,  0.0157914500000000 ]  - [   0.0007550500000000,  0.0000694300000000, -0.0008336700000000 ]  - [   0.0009216400000000, -0.0010551600000000, -0.0009924400000000 ]  - [  -0.0002692800000000, -0.0002588700000000, -0.0009153900000000 ]  - [  -0.0000204600000000,  0.0000491900000000,  0.0007979600000000 ]  - [  -0.0000702300000000,  0.0000708200000000,  0.0006756100000000 ]  - [  -0.0000780400000000,  0.0001237000000000,  0.0007044400000000 ]  - [   0.0000226900000000,  0.0000864200000000,  0.0006450400000000 ]  - [  -0.0002304500000000,  0.0000457500000000,  0.0006820000000000 ]  - [   0.0000016400000000,  0.0000888700000000,  0.0008276000000000 ]  - [  -0.0001591100000000, -0.0000752300000000,  0.0007294800000000 ]  - [   0.0000225800000000, -0.0000265600000000,  0.0005892100000000 ]  - [   0.0011812500000000, -0.0003845800000000, -0.0004601800000000 ]  - [  -0.0041993300000000, -0.0042749500000000,  0.0047949400000000 ]  - [   0.0010548200000000,  0.0011688300000000, -0.0001858300000000 ]  - [  -0.0002088200000000,  0.0001411000000000, -0.0003730200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1832716000000000 ]  - [  -0.0000160200000000, -0.0000589400000000, -0.0020653800000000 ]  - [   0.0000590500000000,  0.0000156000000000, -0.0020653800000000 ]  - [  -0.0000430300000000,  0.0000433400000000, -0.0020653800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012373200000000 ]  - [   0.0000095900000000,  0.0000007500000000,  0.0010868500000000 ]  - [  -0.0000054500000000,  0.0000079300000000,  0.0010868500000000 ]  - [  -0.0000041500000000, -0.0000086800000000,  0.0010868500000000 ]  - [  -0.0007365500000000,  0.0002433400000000,  0.0013900400000000 ]  - [   0.0005790100000000,  0.0005162000000000,  0.0013900400000000 ]  - [   0.0001575400000000, -0.0007595400000000,  0.0013900400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003627200000000 ]  - [   0.0004885900000000, -0.0005666400000000,  0.0013925700000000 ]  - [  -0.0007350200000000, -0.0001398100000000,  0.0013925700000000 ]  - [   0.0002464300000000,  0.0007064500000000,  0.0013925700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003600600000000 ]  - [   0.0150854000000000,  0.0005291100000000,  0.0157914500000000 ]  - [  -0.0013746200000000, -0.0002705900000000, -0.0009924400000000 ]  - [  -0.0000895500000000,  0.0003626400000000, -0.0009153900000000 ]  - [  -0.0003174000000000, -0.0006886000000000, -0.0008336700000000 ]  - [   0.0000528300000000, -0.0000068700000000,  0.0007979600000000 ]  - [   0.0001461500000000,  0.0000057300000000,  0.0007044400000000 ]  - [   0.0000635000000000, -0.0000628600000000,  0.0006450400000000 ]  - [   0.0000964500000000,  0.0000254100000000,  0.0006756100000000 ]  - [  -0.0000777800000000, -0.0000430100000000,  0.0008276000000000 ]  - [   0.0001447100000000, -0.0001001700000000,  0.0007294800000000 ]  - [   0.0000756100000000, -0.0002224500000000,  0.0006820000000000 ]  - [   0.0000117200000000,  0.0000328300000000,  0.0005892100000000 ]  - [   0.0058018900000000, -0.0014992500000000,  0.0047949400000000 ]  - [  -0.0015396400000000,  0.0003290900000000, -0.0001858300000000 ]  - [  -0.0002575600000000,  0.0012152800000000, -0.0004601800000000 ]  - [  -0.0000177900000000, -0.0002513900000000, -0.0003730200000000 ]  - [   0.0000144000000000,  0.0001754100000000,  0.0007294800000000 ]  - [   0.0001548400000000,  0.0001767000000000,  0.0006820000000000 ]  - [   0.0000761400000000, -0.0000458600000000,  0.0008276000000000 ]  - [  -0.0000342900000000, -0.0000062700000000,  0.0005892100000000 ]  - [   0.0004848200000000, -0.0014979200000000, -0.0001858300000000 ]  - [  -0.0009236800000000, -0.0008307000000000, -0.0004601800000000 ]  - [  -0.0016025500000000,  0.0057742100000000,  0.0047949400000000 ]  - [   0.0002266100000000,  0.0001102900000000, -0.0003730200000000 ]  - [  -0.0070844800000000, -0.0133288900000000,  0.0157914500000000 ]  - [   0.0003588300000000, -0.0001037700000000, -0.0009153900000000 ]  - [  -0.0004376500000000,  0.0006191800000000, -0.0008336700000000 ]  - [   0.0004529800000000,  0.0013257500000000, -0.0009924400000000 ]  - [  -0.0000323700000000, -0.0000423200000000,  0.0007979600000000 ]  - [  -0.0000861900000000, -0.0000235600000000,  0.0006450400000000 ]  - [  -0.0000262200000000, -0.0000962300000000,  0.0006756100000000 ]  - [  -0.0000681100000000, -0.0001294300000000,  0.0007044400000000 ]  - [  -0.0001915200000000, -0.0011817700000000, -0.0012690100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002690700000000 ]  - [  -0.0009276900000000,  0.0007567400000000, -0.0012690100000000 ]  - [   0.0011192000000000,  0.0004250300000000, -0.0012690100000000 ]  - [  -0.0000931900000000,  0.0006789000000000, -0.0012065700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006595800000000 ]  - [   0.0006345400000000, -0.0002587400000000, -0.0012065700000000 ]  - [  -0.0005413500000000, -0.0004201500000000, -0.0012065700000000 ]  - [   0.0000007600000000, -0.0000129800000000, -0.0011129900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010603800000000 ]  - [  -0.0000116200000000,  0.0000058300000000, -0.0011129900000000 ]  - [   0.0000108500000000,  0.0000071500000000, -0.0011129900000000 ]  - [  -0.0001684400000000,  0.0009925900000000,  0.0043096400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018619400000000 ]  - [   0.0009438300000000, -0.0003504200000000,  0.0043096400000000 ]  - [  -0.0007753900000000, -0.0006421700000000,  0.0043096400000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0029221200000000,  0.0007457000000000,  0.0001126800000000 ]  - [   0.0021068600000000,  0.0021577800000000,  0.0001126800000000 ]  - [   0.0008152600000000, -0.0029034900000000,  0.0001126800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004077200000000 ]  - [   0.0000746700000000, -0.0000383800000000,  0.0009061000000000 ]  - [  -0.0000705700000000, -0.0000454800000000,  0.0009061000000000 ]  - [  -0.0000041000000000,  0.0000838600000000,  0.0009061000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006193500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010048800000000 ]  - [   0.0000166600000000, -0.0000174000000000,  0.0007641000000000 ]  - [   0.0000067400000000,  0.0000231200000000,  0.0007641000000000 ]  - [  -0.0000234000000000, -0.0000057300000000,  0.0007641000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0278740600000000 ]  - [  -0.0000284600000000,  0.0001445300000000, -0.0009786200000000 ]  - [  -0.0001109300000000, -0.0000969100000000, -0.0009786200000000 ]  - [   0.0001393900000000, -0.0000476200000000, -0.0009786200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0933165200000000 ]  - [  -0.0001390900000000, -0.0001805900000000, -0.0024637600000000 ]  - [   0.0002259400000000, -0.0000301700000000, -0.0024637600000000 ]  - [  -0.0000868500000000,  0.0002107500000000, -0.0024637600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015841500000000 ]  - [   0.0000324800000000,  0.0000299400000000,  0.0013437300000000 ]  - [  -0.0000421700000000,  0.0000131600000000,  0.0013437300000000 ]  - [   0.0000096900000000, -0.0000431000000000,  0.0013437300000000 ]  - [  -0.0002220300000000,  0.0001496100000000,  0.0015933900000000 ]  - [   0.0002405800000000,  0.0001174700000000,  0.0015933900000000 ]  - [  -0.0000185600000000, -0.0002670900000000,  0.0015933900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008549700000000 ]  - [   0.0026650700000000, -0.0030509200000000,  0.0013546700000000 ]  - [  -0.0039747100000000, -0.0007825600000000,  0.0013546700000000 ]  - [   0.0013096400000000,  0.0038334800000000,  0.0013546700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000221200000000 ]  - [   0.0082458400000000, -0.0130483500000000, -0.0160256200000000 ]  - [  -0.0006313000000000, -0.0001225900000000,  0.0008202700000000 ]  - [  -0.0007964000000000,  0.0010002200000000,  0.0009824100000000 ]  - [   0.0003958900000000,  0.0002057900000000,  0.0009033200000000 ]  - [   0.0001467100000000, -0.0001024400000000, -0.0008140500000000 ]  - [   0.0001961300000000, -0.0001243700000000, -0.0006923700000000 ]  - [   0.0002034200000000, -0.0001756500000000, -0.0007205500000000 ]  - [   0.0001030900000000, -0.0001389000000000, -0.0006613300000000 ]  - [   0.0003393000000000,  0.0000365800000000, -0.0006986800000000 ]  - [   0.0001075100000000, -0.0000073400000000, -0.0008450400000000 ]  - [   0.0002686300000000,  0.0001579700000000, -0.0007465500000000 ]  - [   0.0000852700000000,  0.0001090600000000, -0.0006059300000000 ]  - [  -0.0010673700000000,  0.0004650600000000,  0.0004386600000000 ]  - [   0.0042682900000000,  0.0043086600000000, -0.0047703000000000 ]  - [  -0.0009405100000000, -0.0010837300000000,  0.0001616800000000 ]  - [   0.0003172300000000, -0.0000591100000000,  0.0003498600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1886588000000000 ]  - [   0.0000157500000000,  0.0000615000000000,  0.0020930600000000 ]  - [  -0.0000611400000000, -0.0000171100000000,  0.0020930600000000 ]  - [   0.0000453900000000, -0.0000443900000000,  0.0020930600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012034800000000 ]  - [  -0.0000096700000000, -0.0000007700000000, -0.0010603000000000 ]  - [   0.0000055000000000, -0.0000080000000000, -0.0010603000000000 ]  - [   0.0000041700000000,  0.0000087600000000, -0.0010603000000000 ]  - [   0.0007394400000000, -0.0002435600000000, -0.0013637600000000 ]  - [  -0.0005806500000000, -0.0005185900000000, -0.0013637600000000 ]  - [  -0.0001587900000000,  0.0007621500000000, -0.0013637600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003317900000000 ]  - [  -0.0004860900000000,  0.0005630200000000, -0.0013644400000000 ]  - [   0.0007306300000000,  0.0001394500000000, -0.0013644400000000 ]  - [  -0.0002445500000000, -0.0007024700000000, -0.0013644400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003375300000000 ]  - [  -0.0154231200000000, -0.0006169300000000, -0.0160256200000000 ]  - [   0.0012644200000000,  0.0001895900000000,  0.0009824100000000 ]  - [  -0.0000197300000000, -0.0004457500000000,  0.0009033200000000 ]  - [   0.0002094800000000,  0.0006080200000000,  0.0008202700000000 ]  - [  -0.0001620700000000, -0.0000758400000000, -0.0008140500000000 ]  - [  -0.0002538300000000, -0.0000883400000000, -0.0007205500000000 ]  - [  -0.0001718300000000, -0.0000198300000000, -0.0006613300000000 ]  - [  -0.0002057700000000, -0.0001076600000000, -0.0006923700000000 ]  - [  -0.0000474000000000,  0.0000967700000000, -0.0008450400000000 ]  - [  -0.0002711300000000,  0.0001536500000000, -0.0007465500000000 ]  - [  -0.0002013300000000,  0.0002755500000000, -0.0006986800000000 ]  - [  -0.0001370800000000,  0.0000193100000000, -0.0006059300000000 ]  - [  -0.0058655500000000,  0.0015421200000000, -0.0047703000000000 ]  - [   0.0014088000000000, -0.0002726400000000,  0.0001616800000000 ]  - [   0.0001309300000000, -0.0011569000000000,  0.0004386600000000 ]  - [  -0.0001074300000000,  0.0003042800000000,  0.0003498600000000 ]  - [   0.0000024900000000, -0.0003116300000000, -0.0007465500000000 ]  - [  -0.0001379700000000, -0.0003121400000000, -0.0006986800000000 ]  - [  -0.0000601100000000, -0.0000894300000000, -0.0008450400000000 ]  - [   0.0000518100000000, -0.0001283700000000, -0.0006059300000000 ]  - [  -0.0004682800000000,  0.0013563800000000,  0.0001616800000000 ]  - [   0.0009364400000000,  0.0006918400000000,  0.0004386600000000 ]  - [   0.0015972600000000, -0.0058507800000000, -0.0047703000000000 ]  - [  -0.0002098000000000, -0.0002451800000000,  0.0003498600000000 ]  - [   0.0071772900000000,  0.0136652800000000, -0.0160256200000000 ]  - [  -0.0003761600000000,  0.0002399600000000,  0.0009033200000000 ]  - [   0.0004218200000000, -0.0004854200000000,  0.0008202700000000 ]  - [  -0.0004680200000000, -0.0011898100000000,  0.0009824100000000 ]  - [   0.0000153600000000,  0.0001782800000000, -0.0008140500000000 ]  - [   0.0000687500000000,  0.0001587200000000, -0.0006613300000000 ]  - [   0.0000096500000000,  0.0002320400000000, -0.0006923700000000 ]  - [   0.0000504100000000,  0.0002640000000000, -0.0007205500000000 ]  - [   0.0001926600000000,  0.0011860700000000,  0.0011873800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001853100000000 ]  - [   0.0009308300000000, -0.0007598800000000,  0.0011873800000000 ]  - [  -0.0011235000000000, -0.0004261800000000,  0.0011873800000000 ]  - [   0.0000924800000000, -0.0006746600000000,  0.0011245200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005804700000000 ]  - [  -0.0006305100000000,  0.0002572400000000,  0.0011245200000000 ]  - [   0.0005380400000000,  0.0004174200000000,  0.0011245200000000 ]  - [  -0.0000006800000000,  0.0000134100000000,  0.0010320600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009788500000000 ]  - [   0.0000119600000000, -0.0000061200000000,  0.0010320600000000 ]  - [  -0.0000112800000000, -0.0000072900000000,  0.0010320600000000 ]  - [   0.0001687400000000, -0.0010088100000000, -0.0043820000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019415600000000 ]  - [  -0.0009580300000000,  0.0003582700000000, -0.0043820000000000 ]  - [   0.0007892900000000,  0.0006505400000000, -0.0043820000000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0023039900000000,  0.0023876700000000,  0.0030790800000000 ]  - [   0.0024768500000000, -0.0024317200000000, -0.0028421800000000 ]  - [   0.0006643100000000,  0.0001717200000000,  0.0000297400000000 ]  - [  -0.0017799800000000, -0.0001790800000000, -0.0001299500000000 ]  - [   0.0000120900000000,  0.0000644100000000, -0.0000389800000000 ]  - [   0.0000305200000000, -0.0000018100000000,  0.0000908900000000 ]  - [   0.0000769200000000,  0.0000329900000000,  0.0000285200000000 ]  - [  -0.0000358400000000,  0.0000160900000000,  0.0000346400000000 ]  - [  -0.0014638900000000, -0.0003366200000000,  0.0000504600000000 ]  - [   0.0008511000000000,  0.0001483700000000,  0.0000266600000000 ]  - [   0.0008884400000000, -0.0014882000000000, -0.0015871700000000 ]  - [   0.0007161900000000,  0.0011248100000000,  0.0016111100000000 ]  - [  -0.0000593400000000, -0.0000349600000000,  0.0000620400000000 ]  - [   0.0000151600000000, -0.0000205200000000,  0.0000275200000000 ]  - [  -0.0000112100000000, -0.0000457300000000,  0.0002963700000000 ]  - [  -0.0000251600000000,  0.0000013500000000, -0.0002770500000000 ]  - [  -0.0022507000000000,  0.0010035900000000,  0.0001388100000000 ]  - [   0.0011385600000000, -0.0004425700000000,  0.0000246800000000 ]  - [   0.0014692600000000, -0.0018123300000000,  0.0024440100000000 ]  - [   0.0020550300000000,  0.0028360100000000, -0.0025016600000000 ]  - [  -0.0000993100000000,  0.0000204100000000,  0.0000776400000000 ]  - [   0.0000954600000000, -0.0000216700000000,  0.0000232700000000 ]  - [  -0.0000173200000000, -0.0000677700000000, -0.0004186700000000 ]  - [   0.0000193800000000,  0.0000480400000000,  0.0004121500000000 ]  - [   0.0038282600000000,  0.0038794500000000, -0.0049326700000000 ]  - [   0.0032410000000000, -0.0031879100000000,  0.0053082100000000 ]  - [   0.0007935200000000, -0.0004025600000000,  0.0000222400000000 ]  - [  -0.0025966200000000,  0.0008468100000000, -0.0003397800000000 ]  - [   0.0000233900000000,  0.0000740900000000,  0.0000943400000000 ]  - [  -0.0000265600000000, -0.0000857900000000, -0.0000541400000000 ]  - [   0.0001401400000000, -0.0000201200000000,  0.0000234200000000 ]  - [  -0.0001403300000000,  0.0000387000000000,  0.0000293800000000 ]  - [   0.0025615200000000, -0.0005077600000000, -0.0002139900000000 ]  - [  -0.0012561600000000,  0.0004692800000000,  0.0004697000000000 ]  - [  -0.0006312000000000,  0.0008968000000000, -0.0001931200000000 ]  - [   0.0002382100000000, -0.0014955100000000,  0.0006013200000000 ]  - [   0.0001315000000000, -0.0000610100000000,  0.0000104700000000 ]  - [  -0.0000154600000000,  0.0000001200000000, -0.0000254700000000 ]  - [  -0.0000021300000000,  0.0000729200000000,  0.0000909600000000 ]  - [   0.0000940200000000, -0.0001094500000000, -0.0000881500000000 ]  - [  -0.0019354000000000, -0.0004109600000000,  0.0009333000000000 ]  - [   0.0023020400000000,  0.0003959200000000, -0.0006510200000000 ]  - [  -0.0004921900000000, -0.0004734500000000, -0.0001315900000000 ]  - [   0.0008568600000000,  0.0010441800000000,  0.0004212800000000 ]  - [   0.0000128600000000,  0.0000324400000000, -0.0000441500000000 ]  - [   0.0001343400000000,  0.0000867000000000,  0.0000120000000000 ]  - [  -0.0000236500000000, -0.0000046700000000,  0.0000725500000000 ]  - [   0.0001477800000000,  0.0001062900000000, -0.0001001800000000 ]  - [   0.0003715400000000, -0.0001863300000000, -0.0001776600000000 ]  - [  -0.0002080100000000,  0.0000703900000000,  0.0000121700000000 ]  - [  -0.0001667200000000,  0.0002211900000000, -0.0009167500000000 ]  - [  -0.0002526500000000, -0.0004529800000000,  0.0011340800000000 ]  - [   0.0003077400000000,  0.0000621900000000, -0.0000807900000000 ]  - [  -0.0002192500000000, -0.0000316600000000,  0.0000132200000000 ]  - [  -0.0000740700000000,  0.0002638400000000,  0.0006454900000000 ]  - [  -0.0000599300000000, -0.0001680600000000, -0.0005274300000000 ]  - [  -0.0004130300000000, -0.0012419600000000,  0.0007914700000000 ]  - [  -0.0004705200000000,  0.0013009900000000, -0.0009390400000000 ]  - [  -0.0004358600000000,  0.0000284900000000,  0.0000128600000000 ]  - [   0.0017615200000000, -0.0000659400000000,  0.0001795100000000 ]  - [  -0.0000017400000000, -0.0000192600000000,  0.0000020500000000 ]  - [   0.0000034100000000,  0.0000207600000000,  0.0000244200000000 ]  - [  -0.0000357000000000,  0.0000033100000000,  0.0000131100000000 ]  - [   0.0000354400000000, -0.0000040800000000,  0.0000121700000000 ]  - [   0.0009346600000000,  0.0009567200000000,  0.0008778000000000 ]  - [  -0.0009039700000000, -0.0006750300000000, -0.0005638800000000 ]  - [   0.0017538300000000, -0.0000241500000000,  0.0000571900000000 ]  - [  -0.0015172600000000, -0.0006168800000000,  0.0002653300000000 ]  - [  -0.0000286500000000, -0.0000225800000000, -0.0000498100000000 ]  - [  -0.0001156600000000, -0.0000877900000000,  0.0000089500000000 ]  - [   0.0000525400000000, -0.0000406600000000,  0.0000709400000000 ]  - [  -0.0001759600000000, -0.0000675500000000, -0.0000986500000000 ]  - [   0.0004803800000000, -0.0016918500000000,  0.0011831400000000 ]  - [  -0.0010205600000000,  0.0012771300000000, -0.0009966100000000 ]  - [  -0.0010645600000000,  0.0005236600000000,  0.0001474000000000 ]  - [   0.0021846000000000, -0.0005991300000000,  0.0000644700000000 ]  - [  -0.0000433400000000, -0.0000267900000000, -0.0000266800000000 ]  - [  -0.0000690500000000,  0.0000806500000000,  0.0000112900000000 ]  - [  -0.0001677600000000,  0.0000523700000000, -0.0000679400000000 ]  - [   0.0000737500000000, -0.0000070400000000,  0.0000610100000000 ]  - [   0.0014694200000000, -0.0001879500000000,  0.0005019400000000 ]  - [  -0.0016756000000000, -0.0002025600000000, -0.0016200900000000 ]  - [   0.0001112900000000,  0.0003184600000000, -0.0000368000000000 ]  - [   0.0000099700000000, -0.0005642300000000,  0.0000422600000000 ]  - [   0.0000494500000000, -0.0001105200000000, -0.0000963600000000 ]  - [  -0.0000384800000000,  0.0000025000000000,  0.0001029600000000 ]  - [  -0.0000206100000000, -0.0000543000000000, -0.0000286000000000 ]  - [   0.0000391200000000, -0.0000759300000000,  0.0000084500000000 ]  - [   0.0002106000000000, -0.0004208200000000, -0.0001008200000000 ]  - [  -0.0001145100000000,  0.0004051500000000,  0.0000676700000000 ]  - [  -0.0015609100000000,  0.0005392500000000, -0.0015123700000000 ]  - [   0.0016427900000000, -0.0007720900000000,  0.0002127600000000 ]  - [   0.0000072200000000,  0.0000556700000000, -0.0000164500000000 ]  - [  -0.0000148300000000,  0.0000720800000000, -0.0000070500000000 ]  - [  -0.0000677000000000,  0.0000308000000000,  0.0001139100000000 ]  - [   0.0000477600000000,  0.0000835600000000, -0.0001059100000000 ]  - [  -0.0180924300000000, -0.0001096600000000, -0.0000417800000000 ]  - [   0.0031601100000000, -0.0000122200000000, -0.0000678000000000 ]  - [   0.0002089300000000, -0.0016914400000000, -0.0001618700000000 ]  - [   0.0002315200000000,  0.0017031700000000,  0.0001090300000000 ]  - [  -0.0000589100000000, -0.0000010000000000, -0.0000404200000000 ]  - [   0.0000625700000000, -0.0000003800000000, -0.0000436900000000 ]  - [   0.0000008500000000, -0.0000371400000000, -0.0000337600000000 ]  - [   0.0000000100000000,  0.0000343900000000, -0.0000436300000000 ]  - [  -0.0010364800000000,  0.0000005900000000, -0.0000360800000000 ]  - [   0.0006728300000000, -0.0000107900000000, -0.0000236100000000 ]  - [   0.0000314200000000, -0.0003690400000000,  0.0000732100000000 ]  - [   0.0000421500000000,  0.0003662600000000, -0.0001717200000000 ]  - [  -0.0010352300000000,  0.0000005400000000, -0.0000440600000000 ]  - [   0.0006734300000000,  0.0000001400000000, -0.0000171600000000 ]  - [   0.0000315100000000, -0.0003580200000000, -0.0000472200000000 ]  - [   0.0000413200000000,  0.0003766100000000, -0.0000546000000000 ]- atom:   97  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0022580600000000, -0.0023097800000000, -0.0029933800000000 ]  - [  -0.0024457600000000,  0.0025066800000000,  0.0029274300000000 ]  - [  -0.0006237000000000, -0.0001221400000000,  0.0000296400000000 ]  - [   0.0018228800000000,  0.0002535300000000,  0.0001728400000000 ]  - [   0.0000280900000000, -0.0000103200000000,  0.0000963200000000 ]  - [   0.0000109100000000,  0.0000556700000000, -0.0000333900000000 ]  - [  -0.0000360500000000,  0.0000211300000000,  0.0000283700000000 ]  - [   0.0000768300000000,  0.0000383700000000,  0.0000229800000000 ]  - [   0.0014216200000000,  0.0002776500000000,  0.0000087100000000 ]  - [  -0.0008923200000000, -0.0001952300000000,  0.0000264900000000 ]  - [  -0.0009326800000000,  0.0014303500000000,  0.0016318900000000 ]  - [  -0.0007471800000000, -0.0011850000000000, -0.0015665300000000 ]  - [   0.0000186400000000, -0.0000177700000000, -0.0000086900000000 ]  - [  -0.0000552000000000, -0.0000314500000000,  0.0000273900000000 ]  - [  -0.0000297200000000, -0.0000065300000000, -0.0002417200000000 ]  - [  -0.0000145900000000, -0.0000539200000000,  0.0003314500000000 ]  - [   0.0022601400000000, -0.0010269300000000, -0.0000990600000000 ]  - [  -0.0011354400000000,  0.0004435100000000,  0.0000247300000000 ]  - [  -0.0014907600000000,  0.0017893500000000, -0.0023837400000000 ]  - [  -0.0020470400000000, -0.0028485200000000,  0.0025641700000000 ]  - [   0.0001013300000000, -0.0000288000000000, -0.0000296400000000 ]  - [  -0.0000934200000000,  0.0000148800000000,  0.0000231300000000 ]  - [   0.0000183200000000,  0.0000603300000000,  0.0004652700000000 ]  - [  -0.0000159900000000, -0.0000553800000000, -0.0003648900000000 ]  - [  -0.0038165000000000, -0.0038462000000000,  0.0049331800000000 ]  - [  -0.0032460100000000,  0.0032321900000000, -0.0053087300000000 ]  - [  -0.0007957300000000,  0.0004023000000000,  0.0000221700000000 ]  - [   0.0025880100000000, -0.0008084900000000,  0.0004111900000000 ]  - [  -0.0000266000000000, -0.0000675500000000, -0.0000479500000000 ]  - [   0.0000253500000000,  0.0000930200000000,  0.0001004900000000 ]  - [  -0.0001424300000000,  0.0000266900000000,  0.0000232300000000 ]  - [   0.0001381500000000, -0.0000310100000000,  0.0000166700000000 ]  - [  -0.0024541800000000,  0.0004727500000000,  0.0002183000000000 ]  - [   0.0013610200000000, -0.0005234900000000, -0.0004823800000000 ]  - [   0.0007389000000000, -0.0009432700000000,  0.0001818800000000 ]  - [  -0.0001436900000000,  0.0014489000000000, -0.0006096000000000 ]  - [  -0.0000280600000000,  0.0000126400000000, -0.0000186800000000 ]  - [   0.0001185300000000, -0.0000499600000000,  0.0000177500000000 ]  - [   0.0001048500000000, -0.0001222100000000, -0.0000992200000000 ]  - [   0.0000086700000000,  0.0000604300000000,  0.0000800700000000 ]  - [   0.0020692100000000,  0.0005174000000000, -0.0009580500000000 ]  - [  -0.0021927000000000, -0.0002684700000000,  0.0006012600000000 ]  - [   0.0006257600000000,  0.0005860600000000,  0.0001030600000000 ]  - [  -0.0007104800000000, -0.0009342800000000, -0.0004551800000000 ]  - [   0.0001229400000000,  0.0000769600000000,  0.0000133100000000 ]  - [   0.0000003300000000,  0.0000234800000000, -0.0000420000000000 ]  - [   0.0001585000000000,  0.0001146800000000, -0.0001029500000000 ]  - [  -0.0000126900000000,  0.0000033500000000,  0.0000700700000000 ]  - [  -0.0003740900000000,  0.0001881500000000,  0.0002066600000000 ]  - [   0.0002069500000000, -0.0000727400000000,  0.0000121700000000 ]  - [   0.0001711200000000, -0.0002198800000000,  0.0009425400000000 ]  - [   0.0002497700000000,  0.0004520200000000, -0.0011093300000000 ]  - [  -0.0003081200000000, -0.0000617700000000,  0.0001050900000000 ]  - [   0.0002182500000000,  0.0000298000000000,  0.0000134100000000 ]  - [   0.0000747600000000, -0.0002638000000000, -0.0006194400000000 ]  - [   0.0000561900000000,  0.0001683800000000,  0.0005527200000000 ]  - [   0.0005371700000000,  0.0013038900000000, -0.0007730500000000 ]  - [   0.0003462200000000, -0.0012396900000000,  0.0009629900000000 ]  - [   0.0004365200000000, -0.0000234300000000,  0.0000131600000000 ]  - [  -0.0017607000000000,  0.0000506400000000, -0.0001574800000000 ]  - [   0.0000029300000000,  0.0000192200000000,  0.0000242300000000 ]  - [  -0.0000028300000000, -0.0000205800000000,  0.0000015400000000 ]  - [   0.0000364200000000, -0.0000030600000000,  0.0000134000000000 ]  - [  -0.0000344600000000,  0.0000039800000000,  0.0000141100000000 ]  - [  -0.0010778700000000, -0.0010672000000000, -0.0009100800000000 ]  - [   0.0007680600000000,  0.0005605400000000,  0.0005303800000000 ]  - [  -0.0018637800000000, -0.0001103900000000, -0.0000460000000000 ]  - [   0.0013806400000000,  0.0005101400000000, -0.0003021200000000 ]  - [  -0.0001070200000000, -0.0000870800000000,  0.0000187800000000 ]  - [  -0.0000193100000000, -0.0000221200000000, -0.0000393400000000 ]  - [  -0.0001868700000000, -0.0000699300000000, -0.0001019700000000 ]  - [   0.0000397400000000, -0.0000423800000000,  0.0000679000000000 ]  - [  -0.0005763800000000,  0.0017356500000000, -0.0011865600000000 ]  - [   0.0009168600000000, -0.0012338200000000,  0.0009931800000000 ]  - [   0.0009601400000000, -0.0004704900000000, -0.0001520000000000 ]  - [  -0.0022954600000000,  0.0006345900000000, -0.0000930600000000 ]  - [  -0.0000591200000000,  0.0000769700000000,  0.0000188400000000 ]  - [  -0.0000342600000000, -0.0000317500000000, -0.0000195400000000 ]  - [   0.0000649200000000, -0.0000032200000000,  0.0000596400000000 ]  - [  -0.0001770800000000,  0.0000557100000000, -0.0000686300000000 ]  - [  -0.0013759100000000,  0.0000841200000000, -0.0005922000000000 ]  - [   0.0016934200000000,  0.0000802300000000,  0.0016259200000000 ]  - [  -0.0000965600000000, -0.0004337800000000,  0.0000276300000000 ]  - [   0.0000018200000000,  0.0004353000000000, -0.0000565100000000 ]  - [  -0.0000346800000000, -0.0000084100000000,  0.0000873300000000 ]  - [   0.0000514500000000, -0.0001218100000000, -0.0001128600000000 ]  - [   0.0000344300000000, -0.0000648200000000,  0.0000192700000000 ]  - [  -0.0000252700000000, -0.0000438700000000, -0.0000183000000000 ]  - [  -0.0002239000000000,  0.0005457800000000,  0.0000909400000000 ]  - [   0.0001010700000000, -0.0002926000000000, -0.0000749600000000 ]  - [   0.0015451700000000, -0.0004133200000000,  0.0014860600000000 ]  - [  -0.0017502900000000,  0.0008847000000000, -0.0001154200000000 ]  - [  -0.0000211000000000,  0.0000641300000000,  0.0000069400000000 ]  - [   0.0000007100000000,  0.0000464100000000, -0.0000017900000000 ]  - [   0.0000539700000000,  0.0000886100000000, -0.0001227600000000 ]  - [  -0.0000623300000000,  0.0000355500000000,  0.0000964200000000 ]  - [   0.0181161700000000, -0.0001097000000000, -0.0000441300000000 ]  - [  -0.0031580800000000,  0.0000107400000000, -0.0000124000000000 ]  - [  -0.0002100800000000,  0.0016922700000000,  0.0000819700000000 ]  - [  -0.0002264100000000, -0.0017027400000000, -0.0001895200000000 ]  - [   0.0000613000000000, -0.0000007900000000, -0.0000406200000000 ]  - [  -0.0000601500000000, -0.0000011600000000, -0.0000369200000000 ]  - [   0.0000012800000000,  0.0000351600000000, -0.0000467600000000 ]  - [   0.0000022500000000, -0.0000364000000000, -0.0000371900000000 ]  - [   0.0010329700000000, -0.0000001800000000, -0.0000358400000000 ]  - [  -0.0006758800000000,  0.0000116400000000, -0.0000604600000000 ]  - [  -0.0000338700000000,  0.0003707200000000, -0.0001532300000000 ]  - [  -0.0000435000000000, -0.0003640500000000,  0.0000916300000000 ]  - [   0.0010344300000000,  0.0000010200000000, -0.0000437200000000 ]  - [  -0.0006755600000000,  0.0000009300000000, -0.0000594800000000 ]  - [  -0.0000337300000000,  0.0003601100000000, -0.0000333000000000 ]  - [  -0.0000444200000000, -0.0003757500000000, -0.0000255300000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0032039800000000,  0.0015921300000000, -0.0011950400000000 ]  - [  -0.0029808100000000,  0.0019786600000000, -0.0011950400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011225600000000 ]  - [  -0.0002231700000000, -0.0035707900000000, -0.0011950400000000 ]  - [  -0.0000992900000000, -0.0000501200000000,  0.0008200400000000 ]  - [   0.0000930500000000, -0.0000609200000000,  0.0008200400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007336700000000 ]  - [   0.0000062300000000,  0.0001110500000000,  0.0008200400000000 ]  - [  -0.0003074900000000, -0.0022065400000000,  0.0007825000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000221800000000 ]  - [  -0.0017571800000000,  0.0013695600000000,  0.0007825000000000 ]  - [   0.0020646700000000,  0.0008369800000000,  0.0007825000000000 ]  - [   0.0000066200000000,  0.0001454000000000,  0.0008800400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005121300000000 ]  - [   0.0001226100000000, -0.0000784400000000,  0.0008800400000000 ]  - [  -0.0001292400000000, -0.0000669700000000,  0.0008800400000000 ]  - [  -0.0010961500000000,  0.0042512100000000,  0.0014812600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001734900000000 ]  - [   0.0042297300000000, -0.0011763100000000,  0.0014812600000000 ]  - [  -0.0031335800000000, -0.0030749000000000,  0.0014812600000000 ]  - [   0.0000294800000000, -0.0002443700000000,  0.0014536200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009709600000000 ]  - [  -0.0002263700000000,  0.0000966500000000,  0.0014536200000000 ]  - [   0.0001968900000000,  0.0001477200000000,  0.0014536200000000 ]  - [  -0.0046961600000000, -0.0037547800000000, -0.0026078200000000 ]  - [   0.0055998200000000, -0.0021896100000000, -0.0026078200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019879900000000 ]  - [  -0.0009036600000000,  0.0059443900000000, -0.0026078200000000 ]  - [   0.0001979700000000,  0.0001427300000000,  0.0013677900000000 ]  - [  -0.0002225900000000,  0.0001000800000000,  0.0013677900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012714100000000 ]  - [   0.0000246300000000, -0.0002428100000000,  0.0013677900000000 ]  - [   0.0005771100000000, -0.0006368200000000,  0.0022184400000000 ]  - [   0.0004399400000000, -0.0002309000000000,  0.0005486600000000 ]  - [  -0.0009653900000000,  0.0008270000000000,  0.0005802200000000 ]  - [   0.0007576100000000,  0.0016481700000000,  0.0002984600000000 ]  - [   0.0001973400000000,  0.0000179100000000, -0.0008223200000000 ]  - [   0.0000950300000000, -0.0000803400000000, -0.0005708000000000 ]  - [   0.0002204100000000, -0.0002118000000000, -0.0006646000000000 ]  - [   0.0001280000000000, -0.0002312100000000, -0.0006968200000000 ]  - [   0.0010379800000000,  0.0004840900000000,  0.0005900900000000 ]  - [  -0.0012662100000000,  0.0005062300000000,  0.0021234600000000 ]  - [  -0.0005149900000000, -0.0002576500000000,  0.0006077900000000 ]  - [   0.0007972400000000, -0.0014942900000000,  0.0003792500000000 ]  - [   0.0000720200000000,  0.0000143900000000, -0.0005730100000000 ]  - [   0.0003335600000000, -0.0000409100000000, -0.0008561000000000 ]  - [   0.0002104400000000,  0.0001133900000000, -0.0006438800000000 ]  - [   0.0001629100000000,  0.0001782900000000, -0.0006851400000000 ]  - [   0.0001882400000000, -0.0007676400000000, -0.0012159700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002140300000000 ]  - [  -0.0007589200000000,  0.0002208000000000, -0.0012159700000000 ]  - [   0.0005706800000000,  0.0005468400000000, -0.0012159700000000 ]  - [   0.0000711500000000,  0.0004944800000000, -0.0011542400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006103700000000 ]  - [   0.0003926600000000, -0.0003088600000000, -0.0011542400000000 ]  - [  -0.0004638100000000, -0.0001856200000000, -0.0011542400000000 ]  - [   0.0002596900000000,  0.0003226600000000,  0.0043502200000000 ]  - [  -0.0004092700000000,  0.0000635700000000,  0.0043502200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019106200000000 ]  - [   0.0001495900000000, -0.0003862200000000,  0.0043502200000000 ]  - [  -0.0000137300000000, -0.0000161600000000, -0.0010599000000000 ]  - [   0.0000208600000000, -0.0000038100000000, -0.0010599000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010061100000000 ]  - [  -0.0000071300000000,  0.0000199700000000, -0.0010599000000000 ]  - [   0.0010485600000000, -0.0014801900000000,  0.0002984600000000 ]  - [  -0.0004199400000000, -0.0002655500000000,  0.0005486600000000 ]  - [  -0.0008400600000000, -0.0001813900000000,  0.0022184400000000 ]  - [   0.0011989000000000,  0.0004225600000000,  0.0005802200000000 ]  - [  -0.0002642300000000,  0.0000047600000000, -0.0006968200000000 ]  - [  -0.0001170900000000, -0.0000421300000000, -0.0005708000000000 ]  - [  -0.0000831600000000, -0.0001798500000000, -0.0008223200000000 ]  - [  -0.0002936300000000, -0.0000849800000000, -0.0006646000000000 ]  - [   0.0008954700000000,  0.0014375800000000,  0.0003792500000000 ]  - [  -0.0009382300000000,  0.0006568700000000,  0.0005900900000000 ]  - [   0.0004806300000000, -0.0003171700000000,  0.0006077900000000 ]  - [   0.0001947000000000, -0.0013496900000000,  0.0021234600000000 ]  - [  -0.0002358600000000,  0.0000519400000000, -0.0006851400000000 ]  - [  -0.0000484700000000,  0.0000551800000000, -0.0005730100000000 ]  - [  -0.0002034100000000,  0.0001255500000000, -0.0006438800000000 ]  - [  -0.0001313500000000,  0.0003093300000000, -0.0008561000000000 ]  - [   0.0010715100000000,  0.0008434600000000,  0.0021234600000000 ]  - [  -0.0016927100000000,  0.0000567100000000,  0.0003792500000000 ]  - [   0.0000343700000000,  0.0005748200000000,  0.0006077900000000 ]  - [  -0.0000997500000000, -0.0011409700000000,  0.0005900900000000 ]  - [  -0.0002022100000000, -0.0002684200000000, -0.0008561000000000 ]  - [   0.0000729500000000, -0.0002302300000000, -0.0006851400000000 ]  - [  -0.0000070200000000, -0.0002389400000000, -0.0006438800000000 ]  - [  -0.0000235500000000, -0.0000695700000000, -0.0005730100000000 ]  - [  -0.0002335000000000, -0.0012495500000000,  0.0005802200000000 ]  - [  -0.0000200100000000,  0.0004964500000000,  0.0005486600000000 ]  - [  -0.0018061600000000, -0.0001679800000000,  0.0002984600000000 ]  - [   0.0002629400000000,  0.0008182000000000,  0.0022184400000000 ]  - [   0.0000732200000000,  0.0002967800000000, -0.0006646000000000 ]  - [   0.0000220600000000,  0.0001224700000000, -0.0005708000000000 ]  - [   0.0001362300000000,  0.0002264500000000, -0.0006968200000000 ]  - [  -0.0001141800000000,  0.0001619400000000, -0.0008223200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0241891700000000 ]  - [  -0.0000275600000000,  0.0001581300000000, -0.0022271200000000 ]  - [  -0.0001231700000000, -0.0001029400000000, -0.0022271200000000 ]  - [   0.0001507300000000, -0.0000552000000000, -0.0022271200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011103400000000 ]  - [  -0.0000032500000000, -0.0000053400000000,  0.0009310100000000 ]  - [   0.0000062500000000, -0.0000001400000000,  0.0009310100000000 ]  - [  -0.0000030000000000,  0.0000054800000000,  0.0009310100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031061500000000 ]  - [  -0.0000212100000000,  0.0000047200000000,  0.0005459600000000 ]  - [   0.0000065200000000, -0.0000207300000000,  0.0005459600000000 ]  - [   0.0000147000000000,  0.0000160100000000,  0.0005459600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031265900000000 ]  - [  -0.0000183200000000,  0.0001415000000000,  0.0005419600000000 ]  - [  -0.0001133800000000, -0.0000866200000000,  0.0005419600000000 ]  - [   0.0001317000000000, -0.0000548800000000,  0.0005419600000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0031941100000000, -0.0015864800000000,  0.0012344400000000 ]  - [   0.0029709900000000, -0.0019729400000000,  0.0012344400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011774100000000 ]  - [   0.0002231200000000,  0.0035594200000000,  0.0012344400000000 ]  - [   0.0000997700000000,  0.0000509600000000, -0.0007619400000000 ]  - [  -0.0000940100000000,  0.0000609200000000, -0.0007619400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006758500000000 ]  - [  -0.0000057500000000, -0.0001118800000000, -0.0007619400000000 ]  - [   0.0003078500000000,  0.0022176800000000, -0.0007247000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000815500000000 ]  - [   0.0017666400000000, -0.0013754400000000, -0.0007247000000000 ]  - [  -0.0020744900000000, -0.0008422300000000, -0.0007247000000000 ]  - [  -0.0000070000000000, -0.0001446500000000, -0.0008253200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004586300000000 ]  - [  -0.0001217700000000,  0.0000783900000000, -0.0008253200000000 ]  - [   0.0001287700000000,  0.0000662600000000, -0.0008253200000000 ]  - [   0.0010966400000000, -0.0042336500000000, -0.0014354600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002143100000000 ]  - [  -0.0042147700000000,  0.0011671100000000, -0.0014354600000000 ]  - [   0.0031181300000000,  0.0030665400000000, -0.0014354600000000 ]  - [  -0.0000298300000000,  0.0002459500000000, -0.0014065000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009211200000000 ]  - [   0.0002279100000000, -0.0000971400000000, -0.0014065000000000 ]  - [  -0.0001980800000000, -0.0001488000000000, -0.0014065000000000 ]  - [   0.0047147500000000,  0.0037674600000000,  0.0026898000000000 ]  - [  -0.0056200900000000,  0.0021993700000000,  0.0026898000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020397700000000 ]  - [   0.0009053400000000, -0.0059668200000000,  0.0026898000000000 ]  - [  -0.0001968100000000, -0.0001418200000000, -0.0013213600000000 ]  - [   0.0002212200000000, -0.0000995300000000, -0.0013213600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012252400000000 ]  - [  -0.0000244100000000,  0.0002413500000000, -0.0013213600000000 ]  - [  -0.0003991500000000,  0.0006990300000000, -0.0020796300000000 ]  - [  -0.0003145500000000,  0.0001758800000000, -0.0005605500000000 ]  - [   0.0010885100000000, -0.0008791500000000, -0.0005928600000000 ]  - [  -0.0006297900000000, -0.0016959800000000, -0.0003076900000000 ]  - [  -0.0000719800000000, -0.0000723300000000,  0.0008070300000000 ]  - [   0.0000310600000000,  0.0000261900000000,  0.0005535300000000 ]  - [  -0.0000949100000000,  0.0001580300000000,  0.0006477400000000 ]  - [  -0.0000020100000000,  0.0001785000000000,  0.0006802800000000 ]  - [  -0.0009290100000000, -0.0004034300000000, -0.0006132800000000 ]  - [   0.0013182300000000, -0.0003390500000000, -0.0022803900000000 ]  - [   0.0006251100000000,  0.0003402700000000, -0.0006275700000000 ]  - [  -0.0006887400000000,  0.0015833600000000, -0.0004041500000000 ]  - [   0.0000372600000000,  0.0000669000000000,  0.0005570400000000 ]  - [  -0.0002229200000000,  0.0001216700000000,  0.0008386900000000 ]  - [  -0.0001006000000000, -0.0000315000000000,  0.0006278500000000 ]  - [  -0.0000531900000000, -0.0000957900000000,  0.0006686300000000 ]  - [  -0.0001889500000000,  0.0007645500000000,  0.0012448400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002446900000000 ]  - [   0.0007566000000000, -0.0002186400000000,  0.0012448400000000 ]  - [  -0.0005676500000000, -0.0005459100000000,  0.0012448400000000 ]  - [  -0.0000710200000000, -0.0004974200000000,  0.0011797800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006333100000000 ]  - [  -0.0003952700000000,  0.0003102100000000,  0.0011797800000000 ]  - [   0.0004662900000000,  0.0001872100000000,  0.0011797800000000 ]  - [  -0.0002501400000000, -0.0003178500000000, -0.0043350800000000 ]  - [   0.0004003400000000, -0.0000577000000000, -0.0043350800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018855400000000 ]  - [  -0.0001502000000000,  0.0003755500000000, -0.0043350800000000 ]  - [   0.0000133000000000,  0.0000158400000000,  0.0010862300000000 ]  - [  -0.0000203700000000,  0.0000035900000000,  0.0010862300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010320600000000 ]  - [   0.0000070700000000, -0.0000194400000000,  0.0010862300000000 ]  - [  -0.0011538600000000,  0.0013934000000000, -0.0003076900000000 ]  - [   0.0003095900000000,  0.0001844700000000, -0.0005605500000000 ]  - [   0.0008049500000000, -0.0000038400000000, -0.0020796300000000 ]  - [  -0.0013056200000000, -0.0005031000000000, -0.0005928600000000 ]  - [   0.0001555900000000, -0.0000875100000000,  0.0006802800000000 ]  - [   0.0000071500000000, -0.0000399900000000,  0.0005535300000000 ]  - [  -0.0000266500000000,  0.0000985000000000,  0.0008070300000000 ]  - [   0.0001843100000000,  0.0000031800000000,  0.0006477400000000 ]  - [  -0.0010268600000000, -0.0013881400000000, -0.0004041500000000 ]  - [   0.0008138900000000, -0.0006028300000000, -0.0006132800000000 ]  - [  -0.0006072400000000,  0.0003712300000000, -0.0006275700000000 ]  - [  -0.0003654900000000,  0.0013111500000000, -0.0022803900000000 ]  - [   0.0001095500000000,  0.0000018300000000,  0.0006686300000000 ]  - [  -0.0000765700000000, -0.0000011800000000,  0.0005570400000000 ]  - [   0.0000775800000000, -0.0000713700000000,  0.0006278500000000 ]  - [   0.0000060900000000, -0.0002538900000000,  0.0008386900000000 ]  - [  -0.0009527400000000, -0.0009720900000000, -0.0022803900000000 ]  - [   0.0017156000000000, -0.0001952100000000, -0.0004041500000000 ]  - [  -0.0000178700000000, -0.0007115000000000, -0.0006275700000000 ]  - [   0.0001151200000000,  0.0010062600000000, -0.0006132800000000 ]  - [   0.0002168300000000,  0.0001322200000000,  0.0008386900000000 ]  - [  -0.0000563600000000,  0.0000939500000000,  0.0006686300000000 ]  - [   0.0000230200000000,  0.0001028700000000,  0.0006278500000000 ]  - [   0.0000393100000000, -0.0000657200000000,  0.0005570400000000 ]  - [   0.0002171100000000,  0.0013822500000000, -0.0005928600000000 ]  - [   0.0000049600000000, -0.0003603500000000, -0.0005605500000000 ]  - [   0.0017836500000000,  0.0003025700000000, -0.0003076900000000 ]  - [  -0.0004058000000000, -0.0006951900000000, -0.0020796300000000 ]  - [  -0.0000894000000000, -0.0001612100000000,  0.0006477400000000 ]  - [  -0.0000382100000000,  0.0000138000000000,  0.0005535300000000 ]  - [  -0.0001535800000000, -0.0000909900000000,  0.0006802800000000 ]  - [   0.0000986300000000, -0.0000261700000000,  0.0008070300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0240454300000000 ]  - [   0.0000276100000000, -0.0001557800000000,  0.0021461500000000 ]  - [   0.0001211000000000,  0.0001018000000000,  0.0021461500000000 ]  - [  -0.0001487100000000,  0.0000539800000000,  0.0021461500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011906100000000 ]  - [   0.0000032700000000,  0.0000053400000000, -0.0010102200000000 ]  - [  -0.0000062500000000,  0.0000001600000000, -0.0010102200000000 ]  - [   0.0000029900000000, -0.0000055000000000, -0.0010102200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032076900000000 ]  - [   0.0000211800000000, -0.0000040700000000, -0.0006235300000000 ]  - [  -0.0000070700000000,  0.0000203800000000, -0.0006235300000000 ]  - [  -0.0000141100000000, -0.0000163100000000, -0.0006235300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031838200000000 ]  - [   0.0000183800000000, -0.0001411200000000, -0.0006251300000000 ]  - [   0.0001130200000000,  0.0000864800000000, -0.0006251300000000 ]  - [  -0.0001314000000000,  0.0000546400000000, -0.0006251300000000 ]