# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c19cf3d-4507-434f-a23d-e432bef63186/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 CuAgS / Pnma (62) / materials id 5014](https://mdr.nims.go.jp/datasets/d83c33b5-d336-4410-a0b4-6b9fb028a4cc)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.818888740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.936918799999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.509073440000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.781114000000000,  0.250000000000000,  0.039746560000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.281114000000000,  0.250000000000000,  0.460253440000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.718886000000000,  0.750000000000000,  0.539746560000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.218886000000000,  0.750000000000000,  0.960253440000000 ]    mass: 32.065000  - symbol: Cu # 5    coordinates: [  0.240175420000000,  0.750000000000000,  0.309398310000000 ]    mass: 63.546000  - symbol: Cu # 6    coordinates: [  0.740175420000000,  0.750000000000000,  0.190601690000000 ]    mass: 63.546000  - symbol: Cu # 7    coordinates: [  0.259824580000000,  0.250000000000000,  0.809398310000000 ]    mass: 63.546000  - symbol: Cu # 8    coordinates: [  0.759824580000000,  0.250000000000000,  0.690601690000000 ]    mass: 63.546000  - symbol: Ag # 9    coordinates: [  0.983130410000000,  0.250000000000000,  0.333434120000000 ]    mass: 107.868200  - symbol: Ag # 10    coordinates: [  0.483130410000000,  0.250000000000000,  0.166565880000000 ]    mass: 107.868200  - symbol: Ag # 11    coordinates: [  0.516869590000000,  0.750000000000000,  0.833434120000000 ]    mass: 107.868200  - symbol: Ag # 12    coordinates: [  0.016869590000000,  0.750000000000000,  0.666565880000000 ]    mass: 107.868200  reciprocal_lattice: # without 2pi  - [     0.127895412411253,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.254005746829221,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.153631697232779 ] # c*unit_cell:  lattice:  - [     7.818888740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.936918800000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.509073440000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.781114000000000,  0.250000000000000,  0.039746560000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.281114000000000,  0.250000000000000,  0.460253440000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.718886000000000,  0.750000000000000,  0.539746560000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.218886000000000,  0.750000000000000,  0.960253440000000 ]    mass: 32.065000    reduced_to: 4  - symbol: Cu # 5    coordinates: [  0.240175420000000,  0.750000000000000,  0.309398310000000 ]    mass: 63.546000    reduced_to: 5  - symbol: Cu # 6    coordinates: [  0.740175420000000,  0.750000000000000,  0.190601690000000 ]    mass: 63.546000    reduced_to: 6  - symbol: Cu # 7    coordinates: [  0.259824580000000,  0.250000000000000,  0.809398310000000 ]    mass: 63.546000    reduced_to: 7  - symbol: Cu # 8    coordinates: [  0.759824580000000,  0.250000000000000,  0.690601690000000 ]    mass: 63.546000    reduced_to: 8  - symbol: Ag # 9    coordinates: [  0.983130410000000,  0.250000000000000,  0.333434120000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 10    coordinates: [  0.483130410000000,  0.250000000000000,  0.166565880000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Ag # 11    coordinates: [  0.516869590000000,  0.750000000000000,  0.833434120000000 ]    mass: 107.868200    reduced_to: 11  - symbol: Ag # 12    coordinates: [  0.016869590000000,  0.750000000000000,  0.666565880000000 ]    mass: 107.868200    reduced_to: 12supercell:  lattice:  - [    15.637777480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.810756399999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.018146880000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.390557000000000,  0.083333333333333,  0.019873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.890557000000000,  0.083333333333333,  0.019873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.390557000000000,  0.416666666666667,  0.019873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.890557000000000,  0.416666666666667,  0.019873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.390557000000000,  0.750000000000000,  0.019873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.890557000000000,  0.750000000000000,  0.019873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 7    coordinates: [  0.390557000000000,  0.083333333333333,  0.519873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 8    coordinates: [  0.890557000000000,  0.083333333333333,  0.519873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 9    coordinates: [  0.390557000000000,  0.416666666666667,  0.519873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 10    coordinates: [  0.890557000000000,  0.416666666666667,  0.519873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 11    coordinates: [  0.390557000000000,  0.750000000000000,  0.519873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 12    coordinates: [  0.890557000000000,  0.750000000000000,  0.519873280000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 13    coordinates: [  0.140557000000000,  0.083333333333333,  0.230126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.640557000000000,  0.083333333333333,  0.230126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 15    coordinates: [  0.140557000000000,  0.416666666666667,  0.230126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 16    coordinates: [  0.640557000000000,  0.416666666666667,  0.230126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 17    coordinates: [  0.140557000000000,  0.750000000000000,  0.230126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 18    coordinates: [  0.640557000000000,  0.750000000000000,  0.230126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 19    coordinates: [  0.140557000000000,  0.083333333333333,  0.730126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 20    coordinates: [  0.640557000000000,  0.083333333333333,  0.730126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 21    coordinates: [  0.140557000000000,  0.416666666666667,  0.730126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 22    coordinates: [  0.640557000000000,  0.416666666666667,  0.730126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 23    coordinates: [  0.140557000000000,  0.750000000000000,  0.730126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 24    coordinates: [  0.640557000000000,  0.750000000000000,  0.730126720000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 25    coordinates: [  0.359443000000000,  0.250000000000000,  0.269873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.859443000000000,  0.250000000000000,  0.269873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 27    coordinates: [  0.359443000000000,  0.583333333333333,  0.269873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 28    coordinates: [  0.859443000000000,  0.583333333333333,  0.269873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 29    coordinates: [  0.359443000000000,  0.916666666666667,  0.269873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 30    coordinates: [  0.859443000000000,  0.916666666666667,  0.269873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 31    coordinates: [  0.359443000000000,  0.250000000000000,  0.769873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 32    coordinates: [  0.859443000000000,  0.250000000000000,  0.769873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 33    coordinates: [  0.359443000000000,  0.583333333333333,  0.769873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 34    coordinates: [  0.859443000000000,  0.583333333333333,  0.769873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 35    coordinates: [  0.359443000000000,  0.916666666666667,  0.769873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 36    coordinates: [  0.859443000000000,  0.916666666666667,  0.769873280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 37    coordinates: [  0.109443000000000,  0.250000000000000,  0.480126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.609443000000000,  0.250000000000000,  0.480126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.109443000000000,  0.583333333333333,  0.480126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 40    coordinates: [  0.609443000000000,  0.583333333333333,  0.480126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 41    coordinates: [  0.109443000000000,  0.916666666666667,  0.480126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 42    coordinates: [  0.609443000000000,  0.916666666666667,  0.480126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 43    coordinates: [  0.109443000000000,  0.250000000000000,  0.980126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 44    coordinates: [  0.609443000000000,  0.250000000000000,  0.980126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 45    coordinates: [  0.109443000000000,  0.583333333333333,  0.980126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 46    coordinates: [  0.609443000000000,  0.583333333333333,  0.980126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 47    coordinates: [  0.109443000000000,  0.916666666666667,  0.980126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 48    coordinates: [  0.609443000000000,  0.916666666666667,  0.980126720000000 ]    mass: 32.065000    reduced_to: 37  - symbol: Cu # 49    coordinates: [  0.120087710000000,  0.250000000000000,  0.154699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 50    coordinates: [  0.620087710000000,  0.250000000000000,  0.154699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 51    coordinates: [  0.120087710000000,  0.583333333333333,  0.154699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 52    coordinates: [  0.620087710000000,  0.583333333333333,  0.154699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 53    coordinates: [  0.120087710000000,  0.916666666666667,  0.154699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 54    coordinates: [  0.620087710000000,  0.916666666666667,  0.154699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 55    coordinates: [  0.120087710000000,  0.250000000000000,  0.654699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 56    coordinates: [  0.620087710000000,  0.250000000000000,  0.654699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 57    coordinates: [  0.120087710000000,  0.583333333333333,  0.654699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 58    coordinates: [  0.620087710000000,  0.583333333333333,  0.654699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 59    coordinates: [  0.120087710000000,  0.916666666666667,  0.654699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 60    coordinates: [  0.620087710000000,  0.916666666666667,  0.654699155000000 ]    mass: 63.546000    reduced_to: 49  - symbol: Cu # 61    coordinates: [  0.370087710000000,  0.250000000000000,  0.095300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 62    coordinates: [  0.870087710000000,  0.250000000000000,  0.095300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 63    coordinates: [  0.370087710000000,  0.583333333333333,  0.095300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 64    coordinates: [  0.870087710000000,  0.583333333333333,  0.095300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 65    coordinates: [  0.370087710000000,  0.916666666666667,  0.095300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 66    coordinates: [  0.870087710000000,  0.916666666666667,  0.095300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 67    coordinates: [  0.370087710000000,  0.250000000000000,  0.595300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 68    coordinates: [  0.870087710000000,  0.250000000000000,  0.595300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 69    coordinates: [  0.370087710000000,  0.583333333333333,  0.595300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 70    coordinates: [  0.870087710000000,  0.583333333333333,  0.595300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 71    coordinates: [  0.370087710000000,  0.916666666666667,  0.595300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 72    coordinates: [  0.870087710000000,  0.916666666666667,  0.595300845000000 ]    mass: 63.546000    reduced_to: 61  - symbol: Cu # 73    coordinates: [  0.129912290000000,  0.083333333333333,  0.404699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 74    coordinates: [  0.629912290000000,  0.083333333333333,  0.404699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 75    coordinates: [  0.129912290000000,  0.416666666666667,  0.404699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 76    coordinates: [  0.629912290000000,  0.416666666666667,  0.404699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 77    coordinates: [  0.129912290000000,  0.750000000000000,  0.404699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 78    coordinates: [  0.629912290000000,  0.750000000000000,  0.404699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 79    coordinates: [  0.129912290000000,  0.083333333333333,  0.904699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 80    coordinates: [  0.629912290000000,  0.083333333333333,  0.904699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 81    coordinates: [  0.129912290000000,  0.416666666666667,  0.904699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 82    coordinates: [  0.629912290000000,  0.416666666666667,  0.904699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 83    coordinates: [  0.129912290000000,  0.750000000000000,  0.904699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 84    coordinates: [  0.629912290000000,  0.750000000000000,  0.904699155000000 ]    mass: 63.546000    reduced_to: 73  - symbol: Cu # 85    coordinates: [  0.379912290000000,  0.083333333333333,  0.345300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 86    coordinates: [  0.879912290000000,  0.083333333333333,  0.345300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 87    coordinates: [  0.379912290000000,  0.416666666666667,  0.345300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 88    coordinates: [  0.879912290000000,  0.416666666666667,  0.345300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 89    coordinates: [  0.379912290000000,  0.750000000000000,  0.345300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 90    coordinates: [  0.879912290000000,  0.750000000000000,  0.345300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 91    coordinates: [  0.379912290000000,  0.083333333333333,  0.845300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 92    coordinates: [  0.879912290000000,  0.083333333333333,  0.845300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 93    coordinates: [  0.379912290000000,  0.416666666666667,  0.845300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 94    coordinates: [  0.879912290000000,  0.416666666666667,  0.845300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 95    coordinates: [  0.379912290000000,  0.750000000000000,  0.845300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Cu # 96    coordinates: [  0.879912290000000,  0.750000000000000,  0.845300845000000 ]    mass: 63.546000    reduced_to: 85  - symbol: Ag # 97    coordinates: [  0.491565205000000,  0.083333333333333,  0.166717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 98    coordinates: [  0.991565205000000,  0.083333333333333,  0.166717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 99    coordinates: [  0.491565205000000,  0.416666666666667,  0.166717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 100    coordinates: [  0.991565205000000,  0.416666666666667,  0.166717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 101    coordinates: [  0.491565205000000,  0.750000000000000,  0.166717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 102    coordinates: [  0.991565205000000,  0.750000000000000,  0.166717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 103    coordinates: [  0.491565205000000,  0.083333333333333,  0.666717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 104    coordinates: [  0.991565205000000,  0.083333333333333,  0.666717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 105    coordinates: [  0.491565205000000,  0.416666666666667,  0.666717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 106    coordinates: [  0.991565205000000,  0.416666666666667,  0.666717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 107    coordinates: [  0.491565205000000,  0.750000000000000,  0.666717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 108    coordinates: [  0.991565205000000,  0.750000000000000,  0.666717060000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 109    coordinates: [  0.241565205000000,  0.083333333333333,  0.083282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 110    coordinates: [  0.741565205000000,  0.083333333333333,  0.083282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 111    coordinates: [  0.241565205000000,  0.416666666666667,  0.083282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 112    coordinates: [  0.741565205000000,  0.416666666666667,  0.083282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 113    coordinates: [  0.241565205000000,  0.750000000000000,  0.083282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 114    coordinates: [  0.741565205000000,  0.750000000000000,  0.083282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 115    coordinates: [  0.241565205000000,  0.083333333333333,  0.583282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 116    coordinates: [  0.741565205000000,  0.083333333333333,  0.583282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 117    coordinates: [  0.241565205000000,  0.416666666666667,  0.583282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 118    coordinates: [  0.741565205000000,  0.416666666666667,  0.583282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 119    coordinates: [  0.241565205000000,  0.750000000000000,  0.583282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 120    coordinates: [  0.741565205000000,  0.750000000000000,  0.583282940000000 ]    mass: 107.868200    reduced_to: 109  - symbol: Ag # 121    coordinates: [  0.258434795000000,  0.250000000000000,  0.416717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 122    coordinates: [  0.758434795000000,  0.250000000000000,  0.416717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 123    coordinates: [  0.258434795000000,  0.583333333333333,  0.416717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 124    coordinates: [  0.758434795000000,  0.583333333333333,  0.416717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 125    coordinates: [  0.258434795000000,  0.916666666666667,  0.416717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 126    coordinates: [  0.758434795000000,  0.916666666666667,  0.416717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 127    coordinates: [  0.258434795000000,  0.250000000000000,  0.916717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 128    coordinates: [  0.758434795000000,  0.250000000000000,  0.916717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 129    coordinates: [  0.258434795000000,  0.583333333333333,  0.916717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 130    coordinates: [  0.758434795000000,  0.583333333333333,  0.916717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 131    coordinates: [  0.258434795000000,  0.916666666666667,  0.916717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 132    coordinates: [  0.758434795000000,  0.916666666666667,  0.916717060000000 ]    mass: 107.868200    reduced_to: 121  - symbol: Ag # 133    coordinates: [  0.008434795000000,  0.250000000000000,  0.333282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 134    coordinates: [  0.508434795000000,  0.250000000000000,  0.333282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 135    coordinates: [  0.008434795000000,  0.583333333333333,  0.333282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 136    coordinates: [  0.508434795000000,  0.583333333333333,  0.333282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 137    coordinates: [  0.008434795000000,  0.916666666666667,  0.333282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 138    coordinates: [  0.508434795000000,  0.916666666666667,  0.333282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 139    coordinates: [  0.008434795000000,  0.250000000000000,  0.833282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 140    coordinates: [  0.508434795000000,  0.250000000000000,  0.833282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 141    coordinates: [  0.008434795000000,  0.583333333333333,  0.833282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 142    coordinates: [  0.508434795000000,  0.583333333333333,  0.833282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 143    coordinates: [  0.008434795000000,  0.916666666666667,  0.833282940000000 ]    mass: 107.868200    reduced_to: 133  - symbol: Ag # 144    coordinates: [  0.508434795000000,  0.916666666666667,  0.833282940000000 ]    mass: 107.868200    reduced_to: 133born_effective_charge:- # 1 (S)  - [ -1.175497900000000,  0.000000000000000, -0.005016900000000 ]  - [  0.000000000000000, -1.809300890000000,  0.000000000000000 ]  - [ -0.258901040000000,  0.000000000000000, -2.098094320000000 ]- # 2 (S)  - [ -1.175497900000000,  0.000000000000000,  0.005016900000000 ]  - [  0.000000000000000, -1.809300890000000,  0.000000000000000 ]  - [  0.258901040000000,  0.000000000000000, -2.098094320000000 ]- # 3 (S)  - [ -1.175497900000000,  0.000000000000000,  0.005016900000000 ]  - [  0.000000000000000, -1.809300890000000,  0.000000000000000 ]  - [  0.258901040000000,  0.000000000000000, -2.098094320000000 ]- # 4 (S)  - [ -1.175497900000000,  0.000000000000000, -0.005016900000000 ]  - [  0.000000000000000, -1.809300890000000,  0.000000000000000 ]  - [ -0.258901040000000,  0.000000000000000, -2.098094320000000 ]- # 5 (Cu)  - [  0.072123980000000,  0.000000000000000, -0.047326140000000 ]  - [  0.000000000000000,  1.102589640000000,  0.000000000000000 ]  - [  0.337018650000000,  0.000000000000000,  1.013763180000000 ]- # 6 (Cu)  - [  0.072123980000000,  0.000000000000000,  0.047326140000000 ]  - [  0.000000000000000,  1.102589640000000,  0.000000000000000 ]  - [ -0.337018650000000,  0.000000000000000,  1.013763180000000 ]- # 7 (Cu)  - [  0.072123980000000,  0.000000000000000,  0.047326140000000 ]  - [  0.000000000000000,  1.102589640000000,  0.000000000000000 ]  - [ -0.337018650000000,  0.000000000000000,  1.013763180000000 ]- # 8 (Cu)  - [  0.072123980000000,  0.000000000000000, -0.047326140000000 ]  - [  0.000000000000000,  1.102589640000000,  0.000000000000000 ]  - [  0.337018650000000,  0.000000000000000,  1.013763180000000 ]- # 9 (Ag)  - [  1.103373920000000,  0.000000000000000,  0.001551160000000 ]  - [  0.000000000000000,  0.706711260000000,  0.000000000000000 ]  - [ -0.515427280000000,  0.000000000000000,  1.084331130000000 ]- # 10 (Ag)  - [  1.103373920000000,  0.000000000000000, -0.001551160000000 ]  - [  0.000000000000000,  0.706711260000000,  0.000000000000000 ]  - [  0.515427280000000,  0.000000000000000,  1.084331130000000 ]- # 11 (Ag)  - [  1.103373920000000,  0.000000000000000, -0.001551160000000 ]  - [  0.000000000000000,  0.706711260000000,  0.000000000000000 ]  - [  0.515427280000000,  0.000000000000000,  1.084331130000000 ]- # 12 (Ag)  - [  1.103373920000000,  0.000000000000000,  0.001551160000000 ]  - [  0.000000000000000,  0.706711260000000,  0.000000000000000 ]  - [ -0.515427280000000,  0.000000000000000,  1.084331130000000 ]dielectric_constant:  - [ 10.896545700000001,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 16.121578740000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 14.882689050000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0528653600000000,  0.0000000000000000,  0.0116716700000000 ]  - [   0.0088112700000000,  0.0000000000000000,  0.0114768600000000 ]  - [   0.0073343500000000,  0.0001600000000000,  0.0109257400000000 ]  - [   0.0089052100000000,  0.0000226300000000,  0.0114588500000000 ]  - [   0.0073343500000000, -0.0001600000000000,  0.0109257400000000 ]  - [   0.0089052100000000, -0.0000226300000000,  0.0114588500000000 ]  - [   0.0088312200000000,  0.0000000000000000,  0.0113601400000000 ]  - [   0.0087109400000000,  0.0000000000000000,  0.0114659300000000 ]  - [   0.0086954800000000, -0.0002185900000000,  0.0115897400000000 ]  - [   0.0088089200000000,  0.0000414600000000,  0.0114943100000000 ]  - [   0.0086954800000000,  0.0002185900000000,  0.0115897400000000 ]  - [   0.0088089200000000, -0.0000414600000000,  0.0114943100000000 ]  - [   0.0092249100000000,  0.0000000000000000, -0.0104104500000000 ]  - [   0.0092574800000000,  0.0000000000000000, -0.0096033400000000 ]  - [   0.0085520800000000,  0.0000317800000000, -0.0115441600000000 ]  - [   0.0085495800000000, -0.0000433300000000, -0.0115710700000000 ]  - [   0.0085520800000000, -0.0000317800000000, -0.0115441600000000 ]  - [   0.0085495800000000,  0.0000433300000000, -0.0115710700000000 ]  - [   0.0085566500000000,  0.0000000000000000, -0.0116692000000000 ]  - [   0.0085541500000000,  0.0000000000000000, -0.0112826700000000 ]  - [   0.0088265900000000, -0.0000188600000000, -0.0113118300000000 ]  - [   0.0088247900000000,  0.0001777400000000, -0.0117026800000000 ]  - [   0.0088265900000000,  0.0000188600000000, -0.0113118300000000 ]  - [   0.0088247900000000, -0.0001777400000000, -0.0117026800000000 ]  - [  -0.0100964400000000, -0.0007372600000000,  0.0106501900000000 ]  - [  -0.0086705800000000,  0.0000959900000000,  0.0114982300000000 ]  - [  -0.0085248200000000,  0.0000000000000000,  0.0113519300000000 ]  - [  -0.0087046700000000,  0.0000000000000000,  0.0114815400000000 ]  - [  -0.0100964400000000,  0.0007372600000000,  0.0106501900000000 ]  - [  -0.0086705800000000, -0.0000959900000000,  0.0114982300000000 ]  - [  -0.0100899400000000, -0.0004279100000000,  0.0124030500000000 ]  - [  -0.0086693300000000,  0.0000198300000000,  0.0115371800000000 ]  - [  -0.0085244000000000,  0.0000000000000000,  0.0111697200000000 ]  - [  -0.0087049200000000,  0.0000000000000000,  0.0114663700000000 ]  - [  -0.0100899400000000,  0.0004279100000000,  0.0124030500000000 ]  - [  -0.0086693300000000, -0.0000198300000000,  0.0115371800000000 ]  - [  -0.0086985700000000,  0.0000591600000000, -0.0113832100000000 ]  - [  -0.0087456700000000,  0.0000252600000000, -0.0113805000000000 ]  - [  -0.0085842100000000,  0.0000000000000000, -0.0114870100000000 ]  - [  -0.0086721000000000,  0.0000000000000000, -0.0114805300000000 ]  - [  -0.0086985700000000, -0.0000591600000000, -0.0113832100000000 ]  - [  -0.0087456700000000, -0.0000252600000000, -0.0113805000000000 ]  - [  -0.0067449400000000, -0.0004767000000000, -0.0111580400000000 ]  - [  -0.0073286000000000,  0.0008746700000000, -0.0116476300000000 ]  - [  -0.0085292100000000,  0.0000000000000000, -0.0114507600000000 ]  - [  -0.0086813800000000,  0.0000000000000000, -0.0115696300000000 ]  - [  -0.0067449400000000,  0.0004767000000000, -0.0111580400000000 ]  - [  -0.0073286000000000, -0.0008746700000000, -0.0116476300000000 ]  - [  -0.0011235300000000, -0.0003046200000000,  0.0056358700000000 ]  - [  -0.0010108400000000,  0.0004086200000000,  0.0056707500000000 ]  - [  -0.0016290800000000,  0.0000000000000000,  0.0055360700000000 ]  - [  -0.0017016600000000,  0.0000000000000000,  0.0055253800000000 ]  - [  -0.0011235300000000,  0.0003046200000000,  0.0056358700000000 ]  - [  -0.0010108400000000, -0.0004086200000000,  0.0056707500000000 ]  - [  -0.0016787900000000, -0.0000114200000000,  0.0054528500000000 ]  - [  -0.0017203900000000, -0.0000273900000000,  0.0055301400000000 ]  - [  -0.0016347500000000,  0.0000000000000000,  0.0054524800000000 ]  - [  -0.0016005700000000,  0.0000000000000000,  0.0055509600000000 ]  - [  -0.0016787900000000,  0.0000114200000000,  0.0054528500000000 ]  - [  -0.0017203900000000,  0.0000273900000000,  0.0055301400000000 ]  - [  -0.0006463400000000, -0.0086340600000000, -0.0097377500000000 ]  - [  -0.0016882400000000,  0.0000017000000000, -0.0054638000000000 ]  - [  -0.0021179700000000,  0.0000000000000000, -0.0059541400000000 ]  - [  -0.0017026200000000,  0.0000000000000000, -0.0054651400000000 ]  - [  -0.0006463400000000,  0.0086340600000000, -0.0097377500000000 ]  - [  -0.0016882400000000, -0.0000017000000000, -0.0054638000000000 ]  - [  -0.0017468500000000, -0.0000609100000000, -0.0055152900000000 ]  - [  -0.0016850400000000,  0.0000035000000000, -0.0054979400000000 ]  - [  -0.0017921900000000,  0.0000000000000000, -0.0053955800000000 ]  - [  -0.0016786400000000,  0.0000000000000000, -0.0054883200000000 ]  - [  -0.0017468500000000,  0.0000609100000000, -0.0055152900000000 ]  - [  -0.0016850400000000, -0.0000035000000000, -0.0054979400000000 ]  - [   0.0015910500000000,  0.0000000000000000,  0.0051775100000000 ]  - [   0.0018071300000000,  0.0000000000000000,  0.0053824500000000 ]  - [   0.0016655400000000,  0.0000003600000000,  0.0055444100000000 ]  - [   0.0016721700000000, -0.0000130200000000,  0.0055015800000000 ]  - [   0.0016655400000000, -0.0000003600000000,  0.0055444100000000 ]  - [   0.0016721700000000,  0.0000130200000000,  0.0055015800000000 ]  - [   0.0031569200000000,  0.0000000000000000,  0.0065114300000000 ]  - [   0.0020243500000000,  0.0000000000000000,  0.0054289100000000 ]  - [   0.0012682500000000,  0.0002892900000000,  0.0052818500000000 ]  - [   0.0017453900000000, -0.0001463500000000,  0.0056666500000000 ]  - [   0.0012682500000000, -0.0002892900000000,  0.0052818500000000 ]  - [   0.0017453900000000,  0.0001463500000000,  0.0056666500000000 ]  - [   0.0019156900000000,  0.0000000000000000, -0.0051617000000000 ]  - [   0.0016961300000000,  0.0000000000000000, -0.0055510100000000 ]  - [   0.0015103500000000,  0.0000036400000000, -0.0054501600000000 ]  - [   0.0016860300000000, -0.0000150200000000, -0.0054975100000000 ]  - [   0.0015103500000000, -0.0000036400000000, -0.0054501600000000 ]  - [   0.0016860300000000,  0.0000150200000000, -0.0054975100000000 ]  - [   0.0029242300000000,  0.0000000000000000, -0.0021131300000000 ]  - [   0.0016765900000000,  0.0000000000000000, -0.0054653600000000 ]  - [   0.0020412100000000,  0.0001264500000000, -0.0054977000000000 ]  - [   0.0017091100000000,  0.0000066500000000, -0.0054595000000000 ]  - [   0.0020412100000000, -0.0001264500000000, -0.0054977000000000 ]  - [   0.0017091100000000, -0.0000066500000000, -0.0054595000000000 ]  - [   0.0141740500000000,  0.0000000000000000,  0.0132765500000000 ]  - [  -0.0021912800000000,  0.0000000000000000, -0.0014588700000000 ]  - [  -0.0023122300000000, -0.0000356000000000, -0.0014322000000000 ]  - [  -0.0023085100000000, -0.0000116000000000, -0.0015047400000000 ]  - [  -0.0023122300000000,  0.0000356000000000, -0.0014322000000000 ]  - [  -0.0023085100000000,  0.0000116000000000, -0.0015047400000000 ]  - [  -0.0020838000000000,  0.0000000000000000, -0.0017060800000000 ]  - [  -0.0022529400000000,  0.0000000000000000, -0.0015348300000000 ]  - [  -0.0021922300000000,  0.0000182200000000, -0.0015496400000000 ]  - [  -0.0023293600000000,  0.0000084100000000, -0.0015095500000000 ]  - [  -0.0021922300000000, -0.0000182200000000, -0.0015496400000000 ]  - [  -0.0023293600000000, -0.0000084100000000, -0.0015095500000000 ]  - [   0.0307959200000000,  0.0000000000000000, -0.0129643000000000 ]  - [  -0.0024435700000000,  0.0000000000000000,  0.0014237500000000 ]  - [  -0.0016604500000000, -0.0005392100000000,  0.0017107900000000 ]  - [  -0.0023796500000000, -0.0000592200000000,  0.0014284900000000 ]  - [  -0.0016604500000000,  0.0005392100000000,  0.0017107900000000 ]  - [  -0.0023796500000000,  0.0000592200000000,  0.0014284900000000 ]  - [  -0.0022700400000000,  0.0000000000000000,  0.0014824500000000 ]  - [  -0.0023123400000000,  0.0000000000000000,  0.0014713600000000 ]  - [  -0.0022183300000000, -0.0000114600000000,  0.0014586400000000 ]  - [  -0.0022994600000000,  0.0000173000000000,  0.0015413000000000 ]  - [  -0.0022183300000000,  0.0000114600000000,  0.0014586400000000 ]  - [  -0.0022994600000000, -0.0000173000000000,  0.0015413000000000 ]  - [   0.0022506500000000,  0.0000570700000000, -0.0017261800000000 ]  - [   0.0022059800000000,  0.0000072800000000, -0.0015378800000000 ]  - [   0.0022734700000000,  0.0000000000000000, -0.0015143200000000 ]  - [   0.0022275500000000,  0.0000000000000000, -0.0015332000000000 ]  - [   0.0022506500000000, -0.0000570700000000, -0.0017261800000000 ]  - [   0.0022059800000000, -0.0000072800000000, -0.0015378800000000 ]  - [   0.0039814600000000, -0.0025773500000000, -0.0003085500000000 ]  - [   0.0019872300000000,  0.0000823000000000, -0.0014988100000000 ]  - [   0.0024073100000000,  0.0000000000000000, -0.0013624800000000 ]  - [   0.0022148000000000,  0.0000000000000000, -0.0015222700000000 ]  - [   0.0039814600000000,  0.0025773500000000, -0.0003085500000000 ]  - [   0.0019872300000000, -0.0000823000000000, -0.0014988100000000 ]  - [   0.0022585600000000, -0.0001064500000000,  0.0014779700000000 ]  - [   0.0024185000000000, -0.0001813700000000,  0.0014998500000000 ]  - [   0.0022149200000000,  0.0000000000000000,  0.0015036200000000 ]  - [   0.0022577100000000,  0.0000000000000000,  0.0014833200000000 ]  - [   0.0022585600000000,  0.0001064500000000,  0.0014779700000000 ]  - [   0.0024185000000000,  0.0001813700000000,  0.0014998500000000 ]  - [   0.0022261300000000, -0.0001577400000000,  0.0013277500000000 ]  - [   0.0025974500000000,  0.0002921800000000,  0.0013298700000000 ]  - [   0.0022566400000000,  0.0000000000000000,  0.0014948800000000 ]  - [   0.0022880800000000,  0.0000000000000000,  0.0015396500000000 ]  - [   0.0022261300000000,  0.0001577400000000,  0.0013277500000000 ]  - [   0.0025974500000000, -0.0002921800000000,  0.0013298700000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0713792300000000,  0.0000000000000000,  0.0099981100000000 ]  - [   0.0086088300000000,  0.0000000000000000,  0.0114497000000000 ]  - [   0.0100979900000000, -0.0001778900000000,  0.0120117900000000 ]  - [   0.0085160500000000, -0.0000164900000000,  0.0114944900000000 ]  - [   0.0100979900000000,  0.0001778900000000,  0.0120117900000000 ]  - [   0.0085160500000000,  0.0000164900000000,  0.0114944900000000 ]  - [   0.0085875400000000,  0.0000000000000000,  0.0115893900000000 ]  - [   0.0087121300000000,  0.0000000000000000,  0.0114795100000000 ]  - [   0.0087259300000000,  0.0002050100000000,  0.0113555100000000 ]  - [   0.0086120800000000, -0.0000347400000000,  0.0114525200000000 ]  - [   0.0087259300000000, -0.0002050100000000,  0.0113555100000000 ]  - [   0.0086120800000000,  0.0000347400000000,  0.0114525200000000 ]  - [   0.0081712600000000,  0.0000000000000000, -0.0125079800000000 ]  - [   0.0082049800000000,  0.0000000000000000, -0.0133175700000000 ]  - [   0.0088693400000000, -0.0000442300000000, -0.0114052600000000 ]  - [   0.0088681700000000,  0.0000501400000000, -0.0113890400000000 ]  - [   0.0088693400000000,  0.0000442300000000, -0.0114052600000000 ]  - [   0.0088681700000000, -0.0000501400000000, -0.0113890400000000 ]  - [   0.0088664900000000,  0.0000000000000000, -0.0112884500000000 ]  - [   0.0088645000000000,  0.0000000000000000, -0.0116832500000000 ]  - [   0.0085956800000000,  0.0000067700000000, -0.0116393000000000 ]  - [   0.0085941700000000, -0.0001806100000000, -0.0112559500000000 ]  - [   0.0085956800000000, -0.0000067700000000, -0.0116393000000000 ]  - [   0.0085941700000000,  0.0001806100000000, -0.0112559500000000 ]  - [  -0.0073206500000000,  0.0007200700000000,  0.0122855700000000 ]  - [  -0.0087465600000000, -0.0000953000000000,  0.0114615800000000 ]  - [  -0.0088995500000000,  0.0000000000000000,  0.0116027400000000 ]  - [  -0.0087125500000000,  0.0000000000000000,  0.0114732200000000 ]  - [  -0.0073206500000000, -0.0007200700000000,  0.0122855700000000 ]  - [  -0.0087465600000000,  0.0000953000000000,  0.0114615800000000 ]  - [  -0.0073148600000000,  0.0004252600000000,  0.0105608800000000 ]  - [  -0.0087453400000000, -0.0000415000000000,  0.0114367200000000 ]  - [  -0.0088988400000000,  0.0000000000000000,  0.0117962300000000 ]  - [  -0.0087125400000000,  0.0000000000000000,  0.0114891400000000 ]  - [  -0.0073148600000000, -0.0004252600000000,  0.0105608800000000 ]  - [  -0.0087453400000000,  0.0000415000000000,  0.0114367200000000 ]  - [  -0.0087183800000000, -0.0000803600000000, -0.0115789100000000 ]  - [  -0.0086751300000000, -0.0000300400000000, -0.0115632400000000 ]  - [  -0.0088363600000000,  0.0000000000000000, -0.0114735500000000 ]  - [  -0.0087500400000000,  0.0000000000000000, -0.0114634300000000 ]  - [  -0.0087183800000000,  0.0000803600000000, -0.0115789100000000 ]  - [  -0.0086751300000000,  0.0000300400000000, -0.0115632400000000 ]  - [  -0.0107147200000000,  0.0005006400000000, -0.0118009400000000 ]  - [  -0.0100639500000000, -0.0008487400000000, -0.0113090100000000 ]  - [  -0.0088932400000000,  0.0000000000000000, -0.0115120000000000 ]  - [  -0.0087371400000000,  0.0000000000000000, -0.0113819000000000 ]  - [  -0.0107147200000000, -0.0005006400000000, -0.0118009400000000 ]  - [  -0.0100639500000000,  0.0008487400000000, -0.0113090100000000 ]  - [  -0.0022604400000000,  0.0003158300000000,  0.0053482200000000 ]  - [  -0.0023557700000000, -0.0004035400000000,  0.0053164300000000 ]  - [  -0.0017429300000000,  0.0000000000000000,  0.0054473100000000 ]  - [  -0.0016710700000000,  0.0000000000000000,  0.0054600600000000 ]  - [  -0.0022604400000000, -0.0003158300000000,  0.0053482200000000 ]  - [  -0.0023557700000000,  0.0004035400000000,  0.0053164300000000 ]  - [  -0.0016926600000000,  0.0000129400000000,  0.0055336300000000 ]  - [  -0.0016520200000000,  0.0000274400000000,  0.0054557600000000 ]  - [  -0.0017380700000000,  0.0000000000000000,  0.0055305700000000 ]  - [  -0.0017742600000000,  0.0000000000000000,  0.0054337000000000 ]  - [  -0.0016926600000000, -0.0000129400000000,  0.0055336300000000 ]  - [  -0.0016520200000000, -0.0000274400000000,  0.0054557600000000 ]  - [  -0.0026196100000000,  0.0084808300000000, -0.0013032900000000 ]  - [  -0.0016817600000000, -0.0000014500000000, -0.0055204000000000 ]  - [  -0.0012577400000000,  0.0000000000000000, -0.0050273400000000 ]  - [  -0.0016676900000000,  0.0000000000000000, -0.0055213600000000 ]  - [  -0.0026196100000000, -0.0084808300000000, -0.0013032900000000 ]  - [  -0.0016817600000000,  0.0000014500000000, -0.0055204000000000 ]  - [  -0.0016207900000000,  0.0000614000000000, -0.0054669100000000 ]  - [  -0.0016838000000000, -0.0000037400000000, -0.0054884300000000 ]  - [  -0.0015781100000000,  0.0000000000000000, -0.0055855800000000 ]  - [  -0.0016902600000000,  0.0000000000000000, -0.0054950300000000 ]  - [  -0.0016207900000000, -0.0000614000000000, -0.0054669100000000 ]  - [  -0.0016838000000000,  0.0000037400000000, -0.0054884300000000 ]  - [   0.0017767800000000,  0.0000000000000000,  0.0058075900000000 ]  - [   0.0015638500000000,  0.0000000000000000,  0.0055969100000000 ]  - [   0.0017057100000000,  0.0000018700000000,  0.0054376700000000 ]  - [   0.0016962100000000,  0.0000130000000000,  0.0054834600000000 ]  - [   0.0017057100000000, -0.0000018700000000,  0.0054376700000000 ]  - [   0.0016962100000000, -0.0000130000000000,  0.0054834600000000 ]  - [   0.0002013700000000,  0.0000000000000000,  0.0044612400000000 ]  - [   0.0013468100000000,  0.0000000000000000,  0.0055525400000000 ]  - [   0.0021039900000000, -0.0002934400000000,  0.0057020800000000 ]  - [   0.0016238100000000,  0.0001451600000000,  0.0053181900000000 ]  - [   0.0021039900000000,  0.0002934400000000,  0.0057020800000000 ]  - [   0.0016238100000000, -0.0001451600000000,  0.0053181900000000 ]  - [   0.0014650500000000,  0.0000000000000000, -0.0058218800000000 ]  - [   0.0016761900000000,  0.0000000000000000, -0.0054357600000000 ]  - [   0.0018645100000000, -0.0000013800000000, -0.0055298300000000 ]  - [   0.0016857900000000,  0.0000144800000000, -0.0054864800000000 ]  - [   0.0018645100000000,  0.0000013800000000, -0.0055298300000000 ]  - [   0.0016857900000000, -0.0000144800000000, -0.0054864800000000 ]  - [   0.0004267600000000,  0.0000000000000000, -0.0087579900000000 ]  - [   0.0016925600000000,  0.0000000000000000, -0.0055172800000000 ]  - [   0.0013305000000000, -0.0001225300000000, -0.0054876600000000 ]  - [   0.0016629900000000, -0.0000057600000000, -0.0055254700000000 ]  - [   0.0013305000000000,  0.0001225300000000, -0.0054876600000000 ]  - [   0.0016629900000000,  0.0000057600000000, -0.0055254700000000 ]  - [  -0.0183722700000000,  0.0000000000000000, -0.0156908300000000 ]  - [  -0.0023184300000000,  0.0000000000000000, -0.0015748900000000 ]  - [  -0.0021887200000000,  0.0000364700000000, -0.0016091200000000 ]  - [  -0.0022027700000000,  0.0000094700000000, -0.0015295100000000 ]  - [  -0.0021887200000000, -0.0000364700000000, -0.0016091200000000 ]  - [  -0.0022027700000000, -0.0000094700000000, -0.0015295100000000 ]  - [  -0.0024203400000000,  0.0000000000000000, -0.0013262500000000 ]  - [  -0.0022565600000000,  0.0000000000000000, -0.0014939400000000 ]  - [  -0.0023102700000000, -0.0000261400000000, -0.0014865800000000 ]  - [  -0.0021805200000000, -0.0000087500000000, -0.0015249200000000 ]  - [  -0.0023102700000000,  0.0000261400000000, -0.0014865800000000 ]  - [  -0.0021805200000000,  0.0000087500000000, -0.0015249200000000 ]  - [  -0.0368910600000000,  0.0000000000000000,  0.0166796500000000 ]  - [  -0.0020685400000000,  0.0000000000000000,  0.0016148600000000 ]  - [  -0.0028452200000000,  0.0005314000000000,  0.0013248200000000 ]  - [  -0.0021328400000000,  0.0000638100000000,  0.0016071700000000 ]  - [  -0.0028452200000000, -0.0005314000000000,  0.0013248200000000 ]  - [  -0.0021328400000000, -0.0000638100000000,  0.0016071700000000 ]  - [  -0.0022424900000000,  0.0000000000000000,  0.0015516600000000 ]  - [  -0.0022056800000000,  0.0000000000000000,  0.0015666800000000 ]  - [  -0.0022887300000000,  0.0000032300000000,  0.0015799500000000 ]  - [  -0.0022119300000000, -0.0000149100000000,  0.0014985700000000 ]  - [  -0.0022887300000000, -0.0000032300000000,  0.0015799500000000 ]  - [  -0.0022119300000000,  0.0000149100000000,  0.0014985700000000 ]  - [   0.0022544300000000, -0.0000682800000000, -0.0013113200000000 ]  - [   0.0023031600000000, -0.0000107500000000, -0.0015030000000000 ]  - [   0.0022306300000000,  0.0000000000000000, -0.0015264200000000 ]  - [   0.0022848600000000,  0.0000000000000000, -0.0015005000000000 ]  - [   0.0022544300000000,  0.0000682800000000, -0.0013113200000000 ]  - [   0.0023031600000000,  0.0000107500000000, -0.0015030000000000 ]  - [   0.0005213300000000,  0.0026075400000000, -0.0027462800000000 ]  - [   0.0025218100000000, -0.0000832700000000, -0.0015407600000000 ]  - [   0.0020970900000000,  0.0000000000000000, -0.0016802800000000 ]  - [   0.0022916100000000,  0.0000000000000000, -0.0015163400000000 ]  - [   0.0005213300000000, -0.0026075400000000, -0.0027462800000000 ]  - [   0.0025218100000000,  0.0000832700000000, -0.0015407600000000 ]  - [   0.0022483200000000,  0.0001011700000000,  0.0015617700000000 ]  - [   0.0020882800000000,  0.0001771900000000,  0.0015404200000000 ]  - [   0.0022871600000000,  0.0000000000000000,  0.0015410600000000 ]  - [   0.0022524600000000,  0.0000000000000000,  0.0015503400000000 ]  - [   0.0022483200000000, -0.0001011700000000,  0.0015617700000000 ]  - [   0.0020882800000000, -0.0001771900000000,  0.0015404200000000 ]  - [   0.0022744600000000,  0.0001554400000000,  0.0017151500000000 ]  - [   0.0019021700000000, -0.0002969300000000,  0.0017099700000000 ]  - [   0.0022478100000000,  0.0000000000000000,  0.0015505100000000 ]  - [   0.0022209000000000,  0.0000000000000000,  0.0014957200000000 ]  - [   0.0022744600000000, -0.0001554400000000,  0.0017151500000000 ]  - [   0.0019021700000000,  0.0002969300000000,  0.0017099700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0091124800000000, -0.1016853800000000,  0.0102598300000000 ]  - [   0.0087082400000000, -0.0000409100000000,  0.0114702000000000 ]  - [   0.0085399500000000,  0.0098425000000000,  0.0123578500000000 ]  - [   0.0086886700000000,  0.0001221900000000,  0.0115045800000000 ]  - [   0.0088853900000000,  0.0096713800000000,  0.0105689400000000 ]  - [   0.0087283600000000,  0.0001191200000000,  0.0114493700000000 ]  - [   0.0087070700000000,  0.0003208300000000,  0.0114710200000000 ]  - [   0.0087080900000000, -0.0000245500000000,  0.0114761700000000 ]  - [   0.0089219000000000,  0.0003259600000000,  0.0114336900000000 ]  - [   0.0086684300000000,  0.0000223200000000,  0.0114705500000000 ]  - [   0.0084964500000000,  0.0003306600000000,  0.0115147100000000 ]  - [   0.0087479500000000,  0.0000197200000000,  0.0114809800000000 ]  - [   0.0087079700000000,  0.0001095300000000, -0.0114685000000000 ]  - [   0.0087108900000000,  0.0001121100000000, -0.0114752000000000 ]  - [   0.0087561400000000,  0.0000107700000000, -0.0115209200000000 ]  - [   0.0086701300000000,  0.0000130200000000, -0.0114798400000000 ]  - [   0.0086637000000000,  0.0000153800000000, -0.0114336200000000 ]  - [   0.0087450100000000,  0.0000106200000000, -0.0114780500000000 ]  - [   0.0087087600000000, -0.0000297200000000, -0.0114790700000000 ]  - [   0.0087080700000000, -0.0000292700000000, -0.0114794000000000 ]  - [   0.0085268800000000,  0.0000760900000000, -0.0115338500000000 ]  - [   0.0087206100000000,  0.0000789200000000, -0.0115012400000000 ]  - [   0.0088897900000000,  0.0000814300000000, -0.0114206500000000 ]  - [   0.0086951300000000,  0.0000781900000000, -0.0114551900000000 ]  - [  -0.0091334800000000,  0.0025439300000000,  0.0154456900000000 ]  - [  -0.0086775800000000, -0.0000168200000000,  0.0114796400000000 ]  - [  -0.0087101400000000,  0.0001588400000000,  0.0114761400000000 ]  - [  -0.0087080700000000,  0.0000342900000000,  0.0114781000000000 ]  - [  -0.0082899300000000,  0.0025385200000000,  0.0075519300000000 ]  - [  -0.0087389700000000, -0.0000193100000000,  0.0114785200000000 ]  - [  -0.0094368600000000,  0.0025432000000000,  0.0082828700000000 ]  - [  -0.0086109600000000, -0.0000233800000000,  0.0114729400000000 ]  - [  -0.0087075400000000,  0.0001612400000000,  0.0114774000000000 ]  - [  -0.0087081900000000,  0.0000338300000000,  0.0114784400000000 ]  - [  -0.0079802500000000,  0.0025368300000000,  0.0146507500000000 ]  - [  -0.0088024200000000, -0.0000122100000000,  0.0114920100000000 ]  - [  -0.0086386800000000, -0.0000618400000000, -0.0114668900000000 ]  - [  -0.0086811500000000, -0.0000094700000000, -0.0114575200000000 ]  - [  -0.0087082100000000,  0.0000499700000000, -0.0114800300000000 ]  - [  -0.0087092000000000,  0.0000396100000000, -0.0114754600000000 ]  - [  -0.0087760400000000, -0.0000540900000000, -0.0114886400000000 ]  - [  -0.0087377900000000, -0.0000074000000000, -0.0114947400000000 ]  - [  -0.0092012900000000,  0.0003309800000000, -0.0114814000000000 ]  - [  -0.0078397100000000,  0.0004150500000000, -0.0114488600000000 ]  - [  -0.0087091100000000,  0.0002230800000000, -0.0114799900000000 ]  - [  -0.0087082200000000,  0.0000394500000000, -0.0114786000000000 ]  - [  -0.0082227500000000,  0.0003201300000000, -0.0114773100000000 ]  - [  -0.0095673000000000,  0.0004101000000000, -0.0115062500000000 ]  - [  -0.0021161800000000,  0.0002262600000000,  0.0055446900000000 ]  - [  -0.0013186800000000,  0.0001142600000000,  0.0056005600000000 ]  - [  -0.0016884200000000,  0.0000577900000000,  0.0054929800000000 ]  - [  -0.0016868800000000,  0.0000158900000000,  0.0054933100000000 ]  - [  -0.0012563400000000,  0.0002294700000000,  0.0054383800000000 ]  - [  -0.0020606300000000,  0.0001168000000000,  0.0053876800000000 ]  - [  -0.0016985900000000,  0.0000147500000000,  0.0054954800000000 ]  - [  -0.0017189000000000, -0.0000134000000000,  0.0054950800000000 ]  - [  -0.0016874800000000, -0.0000730400000000,  0.0054925000000000 ]  - [  -0.0016884600000000, -0.0000520300000000,  0.0054933900000000 ]  - [  -0.0016765700000000,  0.0000124300000000,  0.0054908800000000 ]  - [  -0.0016577800000000, -0.0000143500000000,  0.0054916000000000 ]  - [  -0.0078898700000000,  0.0396209000000000,  0.0129734000000000 ]  - [  -0.0016493100000000,  0.0000063400000000, -0.0055101900000000 ]  - [  -0.0016831300000000, -0.0005101400000000, -0.0054976800000000 ]  - [  -0.0016870500000000, -0.0000424400000000, -0.0054923700000000 ]  - [   0.0041010500000000,  0.0376108200000000, -0.0227309500000000 ]  - [  -0.0017247300000000,  0.0000063400000000, -0.0054733300000000 ]  - [  -0.0017940500000000,  0.0000523900000000, -0.0050903100000000 ]  - [  -0.0016862000000000,  0.0000141000000000, -0.0055020700000000 ]  - [  -0.0016868100000000, -0.0001773800000000, -0.0054915000000000 ]  - [  -0.0016865000000000,  0.0000003700000000, -0.0054927900000000 ]  - [  -0.0015811400000000,  0.0000530800000000, -0.0058897400000000 ]  - [  -0.0016873800000000,  0.0000130100000000, -0.0054837500000000 ]  - [   0.0016859600000000, -0.0000154900000000,  0.0054905300000000 ]  - [   0.0016873300000000, -0.0000110000000000,  0.0054903000000000 ]  - [   0.0016824900000000, -0.0000166600000000,  0.0054947600000000 ]  - [   0.0016922100000000, -0.0000187800000000,  0.0055008200000000 ]  - [   0.0016915400000000, -0.0000168900000000,  0.0054913900000000 ]  - [   0.0016799400000000, -0.0000179300000000,  0.0054843400000000 ]  - [   0.0016881400000000, -0.0002638600000000,  0.0054941200000000 ]  - [   0.0016863300000000, -0.0001045500000000,  0.0054930700000000 ]  - [   0.0019569900000000, -0.0002713700000000,  0.0055700200000000 ]  - [   0.0017035700000000, -0.0000887900000000,  0.0055081000000000 ]  - [   0.0014198200000000, -0.0002683100000000,  0.0054170700000000 ]  - [   0.0016703800000000, -0.0000889200000000,  0.0054775700000000 ]  - [   0.0016885500000000, -0.0002939500000000, -0.0054947500000000 ]  - [   0.0016878200000000,  0.0000125700000000, -0.0054935700000000 ]  - [   0.0016250200000000, -0.0002346200000000, -0.0054351700000000 ]  - [   0.0016807300000000,  0.0000080700000000, -0.0054966500000000 ]  - [   0.0017541400000000, -0.0002368600000000, -0.0055451000000000 ]  - [   0.0016945000000000,  0.0000082500000000, -0.0054898800000000 ]  - [   0.0016823600000000, -0.0030596000000000, -0.0054014400000000 ]  - [   0.0016870400000000,  0.0000379400000000, -0.0054920600000000 ]  - [   0.0014929300000000, -0.0010120800000000, -0.0052102200000000 ]  - [   0.0016670600000000, -0.0000107600000000, -0.0054968400000000 ]  - [   0.0018824700000000, -0.0010101400000000, -0.0057745500000000 ]  - [   0.0017092500000000, -0.0000113300000000, -0.0054900500000000 ]  - [  -0.0023208200000000, -0.0034012800000000, -0.0015882600000000 ]  - [  -0.0022515700000000, -0.0000065400000000, -0.0015157100000000 ]  - [  -0.0019435300000000,  0.0004476200000000, -0.0013134900000000 ]  - [  -0.0022298100000000, -0.0000057100000000, -0.0015399500000000 ]  - [  -0.0025519300000000,  0.0004382100000000, -0.0017120300000000 ]  - [  -0.0022745100000000, -0.0000054700000000, -0.0014884300000000 ]  - [  -0.0022519200000000,  0.0001208600000000, -0.0015126700000000 ]  - [  -0.0022524700000000,  0.0000044300000000, -0.0015139000000000 ]  - [  -0.0022921700000000, -0.0000383900000000, -0.0015476700000000 ]  - [  -0.0022121700000000,  0.0000022200000000, -0.0015233400000000 ]  - [  -0.0022100400000000, -0.0000384800000000, -0.0014814100000000 ]  - [  -0.0022918000000000,  0.0000013600000000, -0.0015064800000000 ]  - [  -0.0021575700000000, -0.0038972900000000,  0.0014803400000000 ]  - [  -0.0022529200000000,  0.0000116700000000,  0.0015167200000000 ]  - [  -0.0025774700000000,  0.0006158200000000,  0.0015658100000000 ]  - [  -0.0022670300000000, -0.0000098100000000,  0.0014681400000000 ]  - [  -0.0019379500000000,  0.0006024000000000,  0.0014633800000000 ]  - [  -0.0022368200000000, -0.0000092500000000,  0.0015623000000000 ]  - [  -0.0022511300000000,  0.0000579100000000,  0.0015151500000000 ]  - [  -0.0022518800000000,  0.0000117400000000,  0.0015149700000000 ]  - [  -0.0022068400000000, -0.0000509500000000,  0.0015654600000000 ]  - [  -0.0022512300000000,  0.0000035800000000,  0.0015323900000000 ]  - [  -0.0022962000000000, -0.0000500200000000,  0.0014641100000000 ]  - [  -0.0022532900000000,  0.0000016800000000,  0.0014985000000000 ]  - [   0.0022677800000000,  0.0002062000000000, -0.0017166900000000 ]  - [   0.0022431100000000, -0.0000042100000000, -0.0015208900000000 ]  - [   0.0022513700000000,  0.0000135400000000, -0.0015149600000000 ]  - [   0.0022514900000000, -0.0000069700000000, -0.0015147300000000 ]  - [   0.0022347000000000,  0.0002042000000000, -0.0013151500000000 ]  - [   0.0022579700000000, -0.0000053400000000, -0.0015114900000000 ]  - [   0.0003886100000000,  0.0009933300000000, -0.0024065000000000 ]  - [   0.0021398800000000,  0.0000408200000000, -0.0015083500000000 ]  - [   0.0022524200000000, -0.0003106300000000, -0.0015128900000000 ]  - [   0.0022499400000000, -0.0000002800000000, -0.0015159100000000 ]  - [   0.0041005700000000,  0.0010086000000000, -0.0006216500000000 ]  - [   0.0023600000000000,  0.0000400400000000, -0.0015193600000000 ]  - [   0.0022494000000000,  0.0000010400000000,  0.0015283900000000 ]  - [   0.0022646700000000,  0.0002053500000000,  0.0017934000000000 ]  - [   0.0022509200000000,  0.0000167500000000,  0.0015159800000000 ]  - [   0.0022517000000000,  0.0000012800000000,  0.0015160400000000 ]  - [   0.0022538000000000,  0.0000003200000000,  0.0015000900000000 ]  - [   0.0022446700000000,  0.0002056100000000,  0.0012365400000000 ]  - [   0.0022128500000000,  0.0001177900000000,  0.0015991500000000 ]  - [   0.0027277000000000,  0.0001646700000000,  0.0010473500000000 ]  - [   0.0022524600000000,  0.0000368500000000,  0.0015150800000000 ]  - [   0.0022524200000000, -0.0000472100000000,  0.0015139400000000 ]  - [   0.0022915200000000,  0.0001158100000000,  0.0014329100000000 ]  - [   0.0017743700000000,  0.0001735200000000,  0.0019876000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0094327300000000,  0.0000000000000000, -0.0955135400000000 ]  - [   0.0087227300000000,  0.0000000000000000,  0.0115003000000000 ]  - [   0.0081675000000000, -0.0009008400000000,  0.0122050200000000 ]  - [   0.0086916100000000, -0.0000251500000000,  0.0114511100000000 ]  - [   0.0081675000000000,  0.0009008400000000,  0.0122050200000000 ]  - [   0.0086916100000000,  0.0000251500000000,  0.0114511100000000 ]  - [   0.0085956600000000,  0.0000000000000000,  0.0116846500000000 ]  - [   0.0087034800000000,  0.0000000000000000,  0.0114844000000000 ]  - [   0.0088308200000000,  0.0000396600000000,  0.0129356700000000 ]  - [   0.0087307500000000,  0.0000096900000000,  0.0115292000000000 ]  - [   0.0088308200000000, -0.0000396600000000,  0.0129356700000000 ]  - [   0.0087307500000000, -0.0000096900000000,  0.0115292000000000 ]  - [   0.0068361100000000,  0.0000000000000000, -0.0107177300000000 ]  - [   0.0076691800000000,  0.0000000000000000, -0.0107394600000000 ]  - [   0.0088025900000000, -0.0000063400000000, -0.0116172600000000 ]  - [   0.0087827500000000, -0.0000422100000000, -0.0116201000000000 ]  - [   0.0088025900000000,  0.0000063400000000, -0.0116172600000000 ]  - [   0.0087827500000000,  0.0000422100000000, -0.0116201000000000 ]  - [   0.0085155400000000,  0.0000000000000000, -0.0116085900000000 ]  - [   0.0088954700000000,  0.0000000000000000, -0.0116117700000000 ]  - [   0.0089357400000000, -0.0000259000000000, -0.0113130600000000 ]  - [   0.0085459700000000, -0.0000601900000000, -0.0113146600000000 ]  - [   0.0089357400000000,  0.0000259000000000, -0.0113130600000000 ]  - [   0.0085459700000000,  0.0000601900000000, -0.0113146600000000 ]  - [  -0.0096357200000000,  0.0032036500000000,  0.0199343000000000 ]  - [  -0.0087622600000000,  0.0000103800000000,  0.0115034900000000 ]  - [  -0.0083978100000000,  0.0000000000000000,  0.0119075100000000 ]  - [  -0.0086976800000000,  0.0000000000000000,  0.0114539000000000 ]  - [  -0.0096357200000000, -0.0032036500000000,  0.0199343000000000 ]  - [  -0.0087622600000000, -0.0000103800000000,  0.0115034900000000 ]  - [  -0.0079048900000000, -0.0038951800000000,  0.0198249700000000 ]  - [  -0.0087274000000000, -0.0000089600000000,  0.0115087600000000 ]  - [  -0.0085866800000000,  0.0000000000000000,  0.0119083100000000 ]  - [  -0.0087133400000000,  0.0000000000000000,  0.0114541300000000 ]  - [  -0.0079048900000000,  0.0038951800000000,  0.0198249700000000 ]  - [  -0.0087274000000000,  0.0000089600000000,  0.0115087600000000 ]  - [  -0.0086111600000000, -0.0000002700000000, -0.0112037600000000 ]  - [  -0.0086190600000000,  0.0000146800000000, -0.0113998700000000 ]  - [  -0.0087179000000000,  0.0000000000000000, -0.0114528000000000 ]  - [  -0.0087188900000000,  0.0000000000000000, -0.0114805600000000 ]  - [  -0.0086111600000000,  0.0000002700000000, -0.0112037600000000 ]  - [  -0.0086190600000000, -0.0000146800000000, -0.0113998700000000 ]  - [  -0.0083924200000000, -0.0000001800000000, -0.0109520200000000 ]  - [  -0.0088767500000000,  0.0000316300000000, -0.0117372900000000 ]  - [  -0.0086801100000000,  0.0000000000000000, -0.0114406100000000 ]  - [  -0.0088051400000000,  0.0000000000000000, -0.0115499600000000 ]  - [  -0.0083924200000000,  0.0000001800000000, -0.0109520200000000 ]  - [  -0.0088767500000000, -0.0000316300000000, -0.0117372900000000 ]  - [  -0.0019812800000000,  0.0000629900000000,  0.0056099200000000 ]  - [  -0.0013057900000000,  0.0003653100000000,  0.0055537200000000 ]  - [  -0.0017266100000000,  0.0000000000000000,  0.0055669400000000 ]  - [  -0.0017280600000000,  0.0000000000000000,  0.0055499100000000 ]  - [  -0.0019812800000000, -0.0000629900000000,  0.0056099200000000 ]  - [  -0.0013057900000000, -0.0003653100000000,  0.0055537200000000 ]  - [  -0.0017278200000000, -0.0000051900000000,  0.0053892100000000 ]  - [  -0.0016564300000000, -0.0000018700000000,  0.0053866600000000 ]  - [  -0.0016548500000000,  0.0000000000000000,  0.0054202500000000 ]  - [  -0.0015920600000000,  0.0000000000000000,  0.0054469000000000 ]  - [  -0.0017278200000000,  0.0000051900000000,  0.0053892100000000 ]  - [  -0.0016564300000000,  0.0000018700000000,  0.0053866600000000 ]  - [  -0.0058736700000000,  0.0232963700000000,  0.0009238600000000 ]  - [  -0.0017070900000000, -0.0000187100000000, -0.0054688200000000 ]  - [  -0.0018671200000000,  0.0000000000000000, -0.0051442300000000 ]  - [  -0.0016695400000000,  0.0000000000000000, -0.0054766000000000 ]  - [  -0.0058736700000000, -0.0232963700000000,  0.0009238600000000 ]  - [  -0.0017070900000000,  0.0000187100000000, -0.0054688200000000 ]  - [  -0.0012621700000000, -0.0003739300000000, -0.0061813600000000 ]  - [  -0.0016779200000000,  0.0000008400000000, -0.0055093400000000 ]  - [  -0.0015079700000000,  0.0000000000000000, -0.0056632900000000 ]  - [  -0.0016971900000000,  0.0000000000000000, -0.0055174300000000 ]  - [  -0.0012621700000000,  0.0003739300000000, -0.0061813600000000 ]  - [  -0.0016779200000000, -0.0000008400000000, -0.0055093400000000 ]  - [   0.0017415200000000,  0.0000000000000000,  0.0052809400000000 ]  - [   0.0017271800000000,  0.0000000000000000,  0.0055441400000000 ]  - [   0.0016814400000000, -0.0000028000000000,  0.0055194400000000 ]  - [   0.0016947600000000, -0.0000197300000000,  0.0055049700000000 ]  - [   0.0016814400000000,  0.0000028000000000,  0.0055194400000000 ]  - [   0.0016947600000000,  0.0000197300000000,  0.0055049700000000 ]  - [   0.0025338800000000,  0.0000000000000000,  0.0057025600000000 ]  - [   0.0012480700000000,  0.0000000000000000,  0.0055668100000000 ]  - [   0.0015354900000000,  0.0001091300000000,  0.0054077900000000 ]  - [   0.0017212700000000, -0.0000080400000000,  0.0054555300000000 ]  - [   0.0015354900000000, -0.0001091300000000,  0.0054077900000000 ]  - [   0.0017212700000000,  0.0000080400000000,  0.0054555300000000 ]  - [   0.0008831400000000,  0.0000000000000000, -0.0047452000000000 ]  - [   0.0016408200000000,  0.0000000000000000, -0.0054600300000000 ]  - [   0.0010813500000000, -0.0006377300000000, -0.0059498600000000 ]  - [   0.0016936800000000, -0.0000188300000000, -0.0055099400000000 ]  - [   0.0010813500000000,  0.0006377300000000, -0.0059498600000000 ]  - [   0.0016936800000000,  0.0000188300000000, -0.0055099400000000 ]  - [   0.0033368200000000,  0.0000000000000000,  0.0271395200000000 ]  - [   0.0016621100000000,  0.0000000000000000, -0.0054875300000000 ]  - [   0.0017357000000000,  0.0004490500000000, -0.0058893500000000 ]  - [   0.0017004900000000, -0.0000072200000000, -0.0054832900000000 ]  - [   0.0017357000000000, -0.0004490500000000, -0.0058893500000000 ]  - [   0.0017004900000000,  0.0000072200000000, -0.0054832900000000 ]  - [   0.0202067100000000,  0.0000000000000000,  0.0178590200000000 ]  - [  -0.0022178600000000,  0.0000000000000000, -0.0014343400000000 ]  - [  -0.0020929600000000,  0.0003246600000000, -0.0010597600000000 ]  - [  -0.0022445600000000, -0.0000080400000000, -0.0014937000000000 ]  - [  -0.0020929600000000, -0.0003246600000000, -0.0010597600000000 ]  - [  -0.0022445600000000,  0.0000080400000000, -0.0014937000000000 ]  - [  -0.0024436100000000,  0.0000000000000000, -0.0012385100000000 ]  - [  -0.0021981100000000,  0.0000000000000000, -0.0015398800000000 ]  - [  -0.0021734700000000,  0.0000971300000000, -0.0016578500000000 ]  - [  -0.0022886200000000, -0.0000128400000000, -0.0015257700000000 ]  - [  -0.0021734700000000, -0.0000971300000000, -0.0016578500000000 ]  - [  -0.0022886200000000,  0.0000128400000000, -0.0015257700000000 ]  - [  -0.0155445500000000,  0.0000000000000000,  0.0046515200000000 ]  - [  -0.0022728600000000,  0.0000000000000000,  0.0014136900000000 ]  - [  -0.0024549400000000,  0.0002017100000000,  0.0016140500000000 ]  - [  -0.0022286600000000,  0.0000223500000000,  0.0015817100000000 ]  - [  -0.0024549400000000, -0.0002017100000000,  0.0016140500000000 ]  - [  -0.0022286600000000, -0.0000223500000000,  0.0015817100000000 ]  - [  -0.0023403500000000,  0.0000000000000000,  0.0014197600000000 ]  - [  -0.0022850400000000,  0.0000000000000000,  0.0015327900000000 ]  - [  -0.0023220600000000,  0.0000270200000000,  0.0013947300000000 ]  - [  -0.0022819700000000, -0.0000092900000000,  0.0014611800000000 ]  - [  -0.0023220600000000, -0.0000270200000000,  0.0013947300000000 ]  - [  -0.0022819700000000,  0.0000092900000000,  0.0014611800000000 ]  - [   0.0023718700000000,  0.0003689200000000, -0.0021418200000000 ]  - [   0.0022586900000000,  0.0000124500000000, -0.0015059600000000 ]  - [   0.0022132000000000,  0.0000000000000000, -0.0014662100000000 ]  - [   0.0022390000000000,  0.0000000000000000, -0.0015106800000000 ]  - [   0.0023718700000000, -0.0003689200000000, -0.0021418200000000 ]  - [   0.0022586900000000, -0.0000124500000000, -0.0015059600000000 ]  - [   0.0031236600000000, -0.0009671600000000, -0.0024571400000000 ]  - [   0.0022568600000000, -0.0000047400000000, -0.0015276700000000 ]  - [   0.0021863500000000,  0.0000000000000000, -0.0015799500000000 ]  - [   0.0022668900000000,  0.0000000000000000, -0.0015207600000000 ]  - [   0.0031236600000000,  0.0009671600000000, -0.0024571400000000 ]  - [   0.0022568600000000,  0.0000047400000000, -0.0015276700000000 ]  - [   0.0023258800000000, -0.0000262500000000,  0.0014685800000000 ]  - [   0.0021696900000000,  0.0001167100000000,  0.0018972900000000 ]  - [   0.0022422100000000,  0.0000000000000000,  0.0015243700000000 ]  - [   0.0021663900000000,  0.0000000000000000,  0.0015356200000000 ]  - [   0.0023258800000000,  0.0000262500000000,  0.0014685800000000 ]  - [   0.0021696900000000, -0.0001167100000000,  0.0018972900000000 ]  - [   0.0022580500000000, -0.0001001300000000,  0.0014457700000000 ]  - [   0.0016447300000000, -0.0008270900000000,  0.0021769600000000 ]  - [   0.0022598900000000,  0.0000000000000000,  0.0015107100000000 ]  - [   0.0022737500000000,  0.0000000000000000,  0.0015125300000000 ]  - [   0.0022580500000000,  0.0001001300000000,  0.0014457700000000 ]  - [   0.0016447300000000,  0.0008270900000000,  0.0021769600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0077649200000000,  0.0000000000000000,  0.1200068700000000 ]  - [   0.0086962800000000,  0.0000000000000000,  0.0114300500000000 ]  - [   0.0092571400000000,  0.0008852700000000,  0.0107350400000000 ]  - [   0.0087279900000000,  0.0000296500000000,  0.0114994600000000 ]  - [   0.0092571400000000, -0.0008852700000000,  0.0107350400000000 ]  - [   0.0087279900000000, -0.0000296500000000,  0.0114994600000000 ]  - [   0.0088202400000000,  0.0000000000000000,  0.0112671900000000 ]  - [   0.0087180400000000,  0.0000000000000000,  0.0114643600000000 ]  - [   0.0085946600000000, -0.0000412700000000,  0.0100130300000000 ]  - [   0.0086880800000000, -0.0000013400000000,  0.0114199500000000 ]  - [   0.0085946600000000,  0.0000412700000000,  0.0100130300000000 ]  - [   0.0086880800000000,  0.0000013400000000,  0.0114199500000000 ]  - [   0.0105481900000000,  0.0000000000000000, -0.0121840700000000 ]  - [   0.0097638700000000,  0.0000000000000000, -0.0122019200000000 ]  - [   0.0086188700000000, -0.0000029200000000, -0.0113363600000000 ]  - [   0.0086387800000000,  0.0000464100000000, -0.0113369400000000 ]  - [   0.0086188700000000,  0.0000029200000000, -0.0113363600000000 ]  - [   0.0086387800000000, -0.0000464100000000, -0.0113369400000000 ]  - [   0.0089104000000000,  0.0000000000000000, -0.0113464900000000 ]  - [   0.0085163400000000,  0.0000000000000000, -0.0113435600000000 ]  - [   0.0084855400000000,  0.0000196200000000, -0.0116352700000000 ]  - [   0.0088733000000000,  0.0000582100000000, -0.0116390300000000 ]  - [   0.0084855400000000, -0.0000196200000000, -0.0116352700000000 ]  - [   0.0088733000000000, -0.0000582100000000, -0.0116390300000000 ]  - [  -0.0077987400000000, -0.0031637400000000,  0.0031088100000000 ]  - [  -0.0086589300000000, -0.0000065100000000,  0.0114569700000000 ]  - [  -0.0090227200000000,  0.0000000000000000,  0.0110487700000000 ]  - [  -0.0087195600000000,  0.0000000000000000,  0.0115015100000000 ]  - [  -0.0077987400000000,  0.0031637400000000,  0.0031088100000000 ]  - [  -0.0086589300000000,  0.0000065100000000,  0.0114569700000000 ]  - [  -0.0095327400000000,  0.0040007000000000,  0.0030006200000000 ]  - [  -0.0086886100000000, -0.0000083800000000,  0.0114614700000000 ]  - [  -0.0088370100000000,  0.0000000000000000,  0.0110519600000000 ]  - [  -0.0087042300000000,  0.0000000000000000,  0.0114991300000000 ]  - [  -0.0095327400000000, -0.0040007000000000,  0.0030006200000000 ]  - [  -0.0086886100000000,  0.0000083800000000,  0.0114614700000000 ]  - [  -0.0088055700000000, -0.0000166100000000, -0.0117508000000000 ]  - [  -0.0087998800000000, -0.0000188300000000, -0.0115469400000000 ]  - [  -0.0087019700000000,  0.0000000000000000, -0.0115076300000000 ]  - [  -0.0087032400000000,  0.0000000000000000, -0.0114673800000000 ]  - [  -0.0088055700000000,  0.0000166100000000, -0.0117508000000000 ]  - [  -0.0087998800000000,  0.0000188300000000, -0.0115469400000000 ]  - [  -0.0090342300000000,  0.0000069300000000, -0.0120047900000000 ]  - [  -0.0085376200000000, -0.0000250400000000, -0.0112144300000000 ]  - [  -0.0087376600000000,  0.0000000000000000, -0.0115202400000000 ]  - [  -0.0086154800000000,  0.0000000000000000, -0.0114030300000000 ]  - [  -0.0090342300000000, -0.0000069300000000, -0.0120047900000000 ]  - [  -0.0085376200000000,  0.0000250400000000, -0.0112144300000000 ]  - [  -0.0013946100000000, -0.0000627400000000,  0.0053755300000000 ]  - [  -0.0020723700000000, -0.0003599900000000,  0.0054269900000000 ]  - [  -0.0016477000000000,  0.0000000000000000,  0.0054185800000000 ]  - [  -0.0016474000000000,  0.0000000000000000,  0.0054363800000000 ]  - [  -0.0013946100000000,  0.0000627400000000,  0.0053755300000000 ]  - [  -0.0020723700000000,  0.0003599900000000,  0.0054269900000000 ]  - [  -0.0016469600000000,  0.0000071900000000,  0.0055935300000000 ]  - [  -0.0017190900000000,  0.0000032900000000,  0.0055987200000000 ]  - [  -0.0017190500000000,  0.0000000000000000,  0.0055627100000000 ]  - [  -0.0017836300000000,  0.0000000000000000,  0.0055358700000000 ]  - [  -0.0016469600000000, -0.0000071900000000,  0.0055935300000000 ]  - [  -0.0017190900000000, -0.0000032900000000,  0.0055987200000000 ]  - [   0.0023985100000000, -0.0228292600000000, -0.0119277900000000 ]  - [  -0.0016650200000000,  0.0000185200000000, -0.0055143600000000 ]  - [  -0.0015051100000000,  0.0000000000000000, -0.0058305800000000 ]  - [  -0.0017021800000000,  0.0000000000000000, -0.0055079500000000 ]  - [   0.0023985100000000,  0.0228292600000000, -0.0119277900000000 ]  - [  -0.0016650200000000, -0.0000185200000000, -0.0055143600000000 ]  - [  -0.0021101600000000,  0.0003779200000000, -0.0048009400000000 ]  - [  -0.0016943200000000, -0.0000006700000000, -0.0054765300000000 ]  - [  -0.0018630600000000,  0.0000000000000000, -0.0053220100000000 ]  - [  -0.0016724800000000,  0.0000000000000000, -0.0054665300000000 ]  - [  -0.0021101600000000, -0.0003779200000000, -0.0048009400000000 ]  - [  -0.0016943200000000,  0.0000006700000000, -0.0054765300000000 ]  - [   0.0016264900000000,  0.0000000000000000,  0.0056945600000000 ]  - [   0.0016450200000000,  0.0000000000000000,  0.0054387400000000 ]  - [   0.0016922600000000,  0.0000040800000000,  0.0054640100000000 ]  - [   0.0016762000000000,  0.0000200900000000,  0.0054792500000000 ]  - [   0.0016922600000000, -0.0000040800000000,  0.0054640100000000 ]  - [   0.0016762000000000, -0.0000200900000000,  0.0054792500000000 ]  - [   0.0008405900000000,  0.0000000000000000,  0.0052897000000000 ]  - [   0.0021284900000000,  0.0000000000000000,  0.0054205200000000 ]  - [   0.0018379500000000, -0.0001106800000000,  0.0055749300000000 ]  - [   0.0016513800000000,  0.0000081000000000,  0.0055282500000000 ]  - [   0.0018379500000000,  0.0001106800000000,  0.0055749300000000 ]  - [   0.0016513800000000, -0.0000081000000000,  0.0055282500000000 ]  - [   0.0024818000000000,  0.0000000000000000, -0.0062007500000000 ]  - [   0.0017335600000000,  0.0000000000000000, -0.0055255000000000 ]  - [   0.0022871700000000,  0.0006314300000000, -0.0050332200000000 ]  - [   0.0016805000000000,  0.0000173800000000, -0.0054747600000000 ]  - [   0.0022871700000000, -0.0006314300000000, -0.0050332200000000 ]  - [   0.0016805000000000, -0.0000173800000000, -0.0054747600000000 ]  - [  -0.0001745300000000,  0.0000000000000000, -0.0404099300000000 ]  - [   0.0017099400000000,  0.0000000000000000, -0.0054954100000000 ]  - [   0.0016384400000000, -0.0004541300000000, -0.0050872100000000 ]  - [   0.0016746900000000,  0.0000079200000000, -0.0055009000000000 ]  - [   0.0016384400000000,  0.0004541300000000, -0.0050872100000000 ]  - [   0.0016746900000000, -0.0000079200000000, -0.0055009000000000 ]  - [  -0.0239370100000000,  0.0000000000000000, -0.0201677600000000 ]  - [  -0.0022849200000000,  0.0000000000000000, -0.0015964500000000 ]  - [  -0.0024101900000000, -0.0003265900000000, -0.0019709200000000 ]  - [  -0.0022622000000000,  0.0000067100000000, -0.0015370800000000 ]  - [  -0.0024101900000000,  0.0003265900000000, -0.0019709200000000 ]  - [  -0.0022622000000000, -0.0000067100000000, -0.0015370800000000 ]  - [  -0.0020407300000000,  0.0000000000000000, -0.0018182000000000 ]  - [  -0.0023100600000000,  0.0000000000000000, -0.0014885200000000 ]  - [  -0.0023278000000000, -0.0000999400000000, -0.0013781900000000 ]  - [  -0.0022192000000000,  0.0000142700000000, -0.0015064200000000 ]  - [  -0.0023278000000000,  0.0000999400000000, -0.0013781900000000 ]  - [  -0.0022192000000000, -0.0000142700000000, -0.0015064200000000 ]  - [   0.0109384400000000,  0.0000000000000000, -0.0016938800000000 ]  - [  -0.0022341800000000,  0.0000000000000000,  0.0016217600000000 ]  - [  -0.0020552000000000, -0.0002039700000000,  0.0014199100000000 ]  - [  -0.0022796400000000, -0.0000212000000000,  0.0014543700000000 ]  - [  -0.0020552000000000,  0.0002039700000000,  0.0014199100000000 ]  - [  -0.0022796400000000,  0.0000212000000000,  0.0014543700000000 ]  - [  -0.0021696500000000,  0.0000000000000000,  0.0016086400000000 ]  - [  -0.0022260600000000,  0.0000000000000000,  0.0014999800000000 ]  - [  -0.0021834400000000, -0.0000311200000000,  0.0016390500000000 ]  - [  -0.0022244200000000,  0.0000117200000000,  0.0015747800000000 ]  - [  -0.0021834400000000,  0.0000311200000000,  0.0016390500000000 ]  - [  -0.0022244200000000, -0.0000117200000000,  0.0015747800000000 ]  - [   0.0021329900000000, -0.0003692100000000, -0.0009024400000000 ]  - [   0.0022474300000000, -0.0000128300000000, -0.0015309800000000 ]  - [   0.0022901800000000,  0.0000000000000000, -0.0015696000000000 ]  - [   0.0022692200000000,  0.0000000000000000, -0.0015212100000000 ]  - [   0.0021329900000000,  0.0003692100000000, -0.0009024400000000 ]  - [   0.0022474300000000,  0.0000128300000000, -0.0015309800000000 ]  - [   0.0013987300000000,  0.0009433200000000, -0.0005271400000000 ]  - [   0.0022505600000000,  0.0000041300000000, -0.0015074700000000 ]  - [   0.0023146200000000,  0.0000000000000000, -0.0014580700000000 ]  - [   0.0022378900000000,  0.0000000000000000, -0.0015153900000000 ]  - [   0.0013987300000000, -0.0009433200000000, -0.0005271400000000 ]  - [   0.0022505600000000, -0.0000041300000000, -0.0015074700000000 ]  - [   0.0021828200000000,  0.0000204900000000,  0.0015654200000000 ]  - [   0.0023388500000000, -0.0001107900000000,  0.0011504400000000 ]  - [   0.0022594100000000,  0.0000000000000000,  0.0015145300000000 ]  - [   0.0023382600000000,  0.0000000000000000,  0.0014991400000000 ]  - [   0.0021828200000000, -0.0000204900000000,  0.0015654200000000 ]  - [   0.0023388500000000,  0.0001107900000000,  0.0011504400000000 ]  - [   0.0022417100000000,  0.0000999500000000,  0.0015920500000000 ]  - [   0.0028710700000000,  0.0008320300000000,  0.0008604000000000 ]  - [   0.0022443800000000,  0.0000000000000000,  0.0015274500000000 ]  - [   0.0022337400000000,  0.0000000000000000,  0.0015195700000000 ]  - [   0.0022417100000000, -0.0000999500000000,  0.0015920500000000 ]  - [   0.0028710700000000, -0.0008320300000000,  0.0008604000000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0092824900000000, -0.0004291000000000,  0.0111750300000000 ]  - [   0.0093773600000000,  0.0003651600000000,  0.0118448100000000 ]  - [   0.0092824900000000,  0.0004291000000000,  0.0111750300000000 ]  - [   0.0093773600000000, -0.0003651600000000,  0.0118448100000000 ]  - [   0.0087671800000000,  0.0000000000000000,  0.0114281600000000 ]  - [   0.0086946700000000,  0.0000000000000000,  0.0114318700000000 ]  - [   0.0087150300000000, -0.0000052500000000,  0.0114296800000000 ]  - [   0.0086757900000000, -0.0000319400000000,  0.0115017000000000 ]  - [   0.0087150300000000,  0.0000052500000000,  0.0114296800000000 ]  - [   0.0086757900000000,  0.0000319400000000,  0.0115017000000000 ]  - [   0.0087621700000000,  0.0000000000000000,  0.0115089400000000 ]  - [   0.0087951500000000,  0.0000000000000000,  0.0115623000000000 ]  - [   0.0096601300000000, -0.0059388700000000, -0.0073645400000000 ]  - [   0.0087045900000000,  0.0000402700000000, -0.0114602700000000 ]  - [   0.0096601300000000,  0.0059388700000000, -0.0073645400000000 ]  - [   0.0087045900000000, -0.0000402700000000, -0.0114602700000000 ]  - [   0.0082762400000000,  0.0000000000000000, -0.0112957300000000 ]  - [   0.0086919700000000,  0.0000000000000000, -0.0114977200000000 ]  - [   0.0086473900000000, -0.0001001900000000, -0.0119002800000000 ]  - [   0.0087066400000000,  0.0000096100000000, -0.0114868700000000 ]  - [   0.0086473900000000,  0.0001001900000000, -0.0119002800000000 ]  - [   0.0087066400000000, -0.0000096100000000, -0.0114868700000000 ]  - [   0.0086042200000000,  0.0000000000000000, -0.0116511100000000 ]  - [   0.0087148600000000,  0.0000000000000000, -0.0114594100000000 ]  - [  -0.0083758300000000,  0.0000000000000000,  0.0119200700000000 ]  - [  -0.0072412500000000,  0.0000000000000000,  0.0106338400000000 ]  - [  -0.0086571100000000,  0.0000061900000000,  0.0114421600000000 ]  - [  -0.0091290400000000,  0.0002703000000000,  0.0116255900000000 ]  - [  -0.0086571100000000, -0.0000061900000000,  0.0114421600000000 ]  - [  -0.0091290400000000, -0.0002703000000000,  0.0116255900000000 ]  - [  -0.0085953800000000,  0.0000000000000000,  0.0114308200000000 ]  - [  -0.0088062900000000,  0.0000000000000000,  0.0114290900000000 ]  - [  -0.0087282500000000,  0.0000073400000000,  0.0114693300000000 ]  - [  -0.0087347000000000, -0.0000115600000000,  0.0114878200000000 ]  - [  -0.0087282500000000, -0.0000073400000000,  0.0114693300000000 ]  - [  -0.0087347000000000,  0.0000115600000000,  0.0114878200000000 ]  - [  -0.0084891400000000,  0.0000000000000000, -0.0122741900000000 ]  - [  -0.0087062100000000,  0.0000000000000000, -0.0115099000000000 ]  - [  -0.0088961600000000, -0.0000693300000000, -0.0120848600000000 ]  - [  -0.0087180800000000, -0.0000082800000000, -0.0114662000000000 ]  - [  -0.0088961600000000,  0.0000693300000000, -0.0120848600000000 ]  - [  -0.0087180800000000,  0.0000082800000000, -0.0114662000000000 ]  - [  -0.0074702900000000,  0.0000000000000000, -0.0096605500000000 ]  - [  -0.0087240900000000,  0.0000000000000000, -0.0114946400000000 ]  - [  -0.0083601300000000, -0.0001960900000000, -0.0114271800000000 ]  - [  -0.0086923000000000, -0.0000169500000000, -0.0114635300000000 ]  - [  -0.0083601300000000,  0.0001960900000000, -0.0114271800000000 ]  - [  -0.0086923000000000,  0.0000169500000000, -0.0114635300000000 ]  - [  -0.0211305200000000,  0.0000000000000000,  0.0026105400000000 ]  - [  -0.0016679100000000,  0.0000000000000000,  0.0054734700000000 ]  - [  -0.0019632300000000,  0.0000439000000000,  0.0051179900000000 ]  - [  -0.0016844700000000,  0.0000134900000000,  0.0054973700000000 ]  - [  -0.0019632300000000, -0.0000439000000000,  0.0051179900000000 ]  - [  -0.0016844700000000, -0.0000134900000000,  0.0054973700000000 ]  - [  -0.0016947400000000,  0.0000000000000000,  0.0057872600000000 ]  - [  -0.0016775400000000,  0.0000000000000000,  0.0054860400000000 ]  - [  -0.0016069900000000, -0.0000819800000000,  0.0056127100000000 ]  - [  -0.0016919200000000, -0.0000005000000000,  0.0054854800000000 ]  - [  -0.0016069900000000,  0.0000819800000000,  0.0056127100000000 ]  - [  -0.0016919200000000,  0.0000005000000000,  0.0054854800000000 ]  - [  -0.0021593300000000,  0.0000000000000000, -0.0052831900000000 ]  - [  -0.0021417200000000,  0.0000000000000000, -0.0055231300000000 ]  - [  -0.0017212100000000, -0.0000811700000000, -0.0055308500000000 ]  - [  -0.0017204900000000,  0.0001160000000000, -0.0054978300000000 ]  - [  -0.0017212100000000,  0.0000811700000000, -0.0055308500000000 ]  - [  -0.0017204900000000, -0.0001160000000000, -0.0054978300000000 ]  - [  -0.0017111000000000,  0.0000000000000000, -0.0054501600000000 ]  - [  -0.0017115900000000,  0.0000000000000000, -0.0054827300000000 ]  - [  -0.0016954000000000, -0.0000051000000000, -0.0054942400000000 ]  - [  -0.0016955400000000, -0.0000012000000000, -0.0054899500000000 ]  - [  -0.0016954000000000,  0.0000051000000000, -0.0054942400000000 ]  - [  -0.0016955400000000,  0.0000012000000000, -0.0054899500000000 ]  - [   0.0014961700000000,  0.0001774600000000,  0.0055573700000000 ]  - [   0.0016824000000000, -0.0000082200000000,  0.0054965000000000 ]  - [   0.0014961700000000, -0.0001774600000000,  0.0055573700000000 ]  - [   0.0016824000000000,  0.0000082200000000,  0.0054965000000000 ]  - [   0.0017402000000000,  0.0000000000000000,  0.0056240200000000 ]  - [   0.0016834900000000,  0.0000000000000000,  0.0054926700000000 ]  - [   0.0014938100000000,  0.0001866700000000,  0.0055573000000000 ]  - [   0.0016825100000000, -0.0000003600000000,  0.0054801200000000 ]  - [   0.0014938100000000, -0.0001866700000000,  0.0055573000000000 ]  - [   0.0016825100000000,  0.0000003600000000,  0.0054801200000000 ]  - [   0.0017388400000000,  0.0000000000000000,  0.0055238600000000 ]  - [   0.0016833700000000,  0.0000000000000000,  0.0054895300000000 ]  - [   0.0017016800000000,  0.0000231100000000, -0.0055062600000000 ]  - [   0.0020853700000000,  0.0000997700000000, -0.0057115700000000 ]  - [   0.0017016800000000, -0.0000231100000000, -0.0055062600000000 ]  - [   0.0020853700000000, -0.0000997700000000, -0.0057115700000000 ]  - [   0.0016672000000000,  0.0000000000000000, -0.0054990300000000 ]  - [   0.0016554800000000,  0.0000000000000000, -0.0055470300000000 ]  - [   0.0016947900000000,  0.0000181300000000, -0.0054502100000000 ]  - [   0.0017154900000000, -0.0000125300000000, -0.0054985700000000 ]  - [   0.0016947900000000, -0.0000181300000000, -0.0054502100000000 ]  - [   0.0017154900000000,  0.0000125300000000, -0.0054985700000000 ]  - [   0.0017106400000000,  0.0000000000000000, -0.0055133500000000 ]  - [   0.0016681800000000,  0.0000000000000000, -0.0054647600000000 ]  - [  -0.0022404700000000, -0.0000169800000000, -0.0015300400000000 ]  - [   0.0020265900000000,  0.0034727600000000, -0.0009216600000000 ]  - [  -0.0022404700000000,  0.0000169800000000, -0.0015300400000000 ]  - [   0.0020265900000000, -0.0034727600000000, -0.0009216600000000 ]  - [  -0.0022401500000000,  0.0000000000000000, -0.0015136500000000 ]  - [  -0.0022514500000000,  0.0000000000000000, -0.0014703400000000 ]  - [  -0.0022578300000000,  0.0000096500000000, -0.0015118700000000 ]  - [  -0.0023021400000000, -0.0000146700000000, -0.0015184900000000 ]  - [  -0.0022578300000000, -0.0000096500000000, -0.0015118700000000 ]  - [  -0.0023021400000000,  0.0000146700000000, -0.0015184900000000 ]  - [  -0.0022452300000000,  0.0000000000000000, -0.0015328700000000 ]  - [  -0.0022898200000000,  0.0000000000000000, -0.0015193400000000 ]  - [   0.0005326100000000, -0.0016903800000000, -0.0001189500000000 ]  - [  -0.0022730900000000,  0.0000146700000000,  0.0015498700000000 ]  - [   0.0005326100000000,  0.0016903800000000, -0.0001189500000000 ]  - [  -0.0022730900000000, -0.0000146700000000,  0.0015498700000000 ]  - [  -0.0021436700000000,  0.0000000000000000,  0.0014804100000000 ]  - [  -0.0022458800000000,  0.0000000000000000,  0.0015394300000000 ]  - [  -0.0022296000000000, -0.0000195600000000,  0.0015796100000000 ]  - [  -0.0022483600000000, -0.0000012300000000,  0.0015226400000000 ]  - [  -0.0022296000000000,  0.0000195600000000,  0.0015796100000000 ]  - [  -0.0022483600000000,  0.0000012300000000,  0.0015226400000000 ]  - [  -0.0022264100000000,  0.0000000000000000,  0.0015040900000000 ]  - [  -0.0022658000000000,  0.0000000000000000,  0.0015165300000000 ]  - [   0.0023480300000000,  0.0000000000000000, -0.0014294000000000 ]  - [   0.0022984700000000,  0.0000000000000000, -0.0013211500000000 ]  - [   0.0022624800000000, -0.0000138900000000, -0.0015026800000000 ]  - [   0.0022305900000000,  0.0000490500000000, -0.0016004000000000 ]  - [   0.0022624800000000,  0.0000138900000000, -0.0015026800000000 ]  - [   0.0022305900000000, -0.0000490500000000, -0.0016004000000000 ]  - [   0.0019705500000000,  0.0000000000000000, -0.0020201800000000 ]  - [   0.0022598800000000,  0.0000000000000000, -0.0015189700000000 ]  - [   0.0022368700000000, -0.0000052000000000, -0.0015026700000000 ]  - [   0.0022271100000000,  0.0000577300000000, -0.0015468500000000 ]  - [   0.0022368700000000,  0.0000052000000000, -0.0015026700000000 ]  - [   0.0022271100000000, -0.0000577300000000, -0.0015468500000000 ]  - [   0.0031286000000000,  0.0000000000000000, -0.0003681200000000 ]  - [   0.0022523800000000,  0.0000000000000000,  0.0015354400000000 ]  - [   0.0020101300000000,  0.0001156400000000,  0.0018265200000000 ]  - [   0.0022552900000000, -0.0000068200000000,  0.0015135100000000 ]  - [   0.0020101300000000, -0.0001156400000000,  0.0018265200000000 ]  - [   0.0022552900000000,  0.0000068200000000,  0.0015135100000000 ]  - [   0.0021503100000000,  0.0000000000000000,  0.0010661400000000 ]  - [   0.0022416000000000,  0.0000000000000000,  0.0015070900000000 ]  - [   0.0022351800000000, -0.0000517000000000,  0.0014559800000000 ]  - [   0.0022618600000000, -0.0000004000000000,  0.0015172500000000 ]  - [   0.0022351800000000,  0.0000517000000000,  0.0014559800000000 ]  - [   0.0022618600000000,  0.0000004000000000,  0.0015172500000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0081457300000000,  0.0004326400000000,  0.0117655600000000 ]  - [   0.0080352900000000, -0.0003823100000000,  0.0110788700000000 ]  - [   0.0081457300000000, -0.0004326400000000,  0.0117655600000000 ]  - [   0.0080352900000000,  0.0003823100000000,  0.0110788700000000 ]  - [   0.0086546600000000,  0.0000000000000000,  0.0115101000000000 ]  - [   0.0087225700000000,  0.0000000000000000,  0.0115123700000000 ]  - [   0.0087030500000000,  0.0000164900000000,  0.0115133700000000 ]  - [   0.0087435400000000,  0.0000325200000000,  0.0114398100000000 ]  - [   0.0087030500000000, -0.0000164900000000,  0.0115133700000000 ]  - [   0.0087435400000000, -0.0000325200000000,  0.0114398100000000 ]  - [   0.0086603600000000,  0.0000000000000000,  0.0114454200000000 ]  - [   0.0086228900000000,  0.0000000000000000,  0.0113747600000000 ]  - [   0.0076874700000000,  0.0060480200000000, -0.0156381000000000 ]  - [   0.0087133200000000, -0.0000368900000000, -0.0115008500000000 ]  - [   0.0076874700000000, -0.0060480200000000, -0.0156381000000000 ]  - [   0.0087133200000000,  0.0000368900000000, -0.0115008500000000 ]  - [   0.0091367900000000,  0.0000000000000000, -0.0116588000000000 ]  - [   0.0087264100000000,  0.0000000000000000, -0.0114645500000000 ]  - [   0.0087727100000000,  0.0001160600000000, -0.0110542600000000 ]  - [   0.0087091100000000,  0.0000070500000000, -0.0114714700000000 ]  - [   0.0087727100000000, -0.0001160600000000, -0.0110542600000000 ]  - [   0.0087091100000000, -0.0000070500000000, -0.0114714700000000 ]  - [   0.0088191400000000,  0.0000000000000000, -0.0112999700000000 ]  - [   0.0087032500000000,  0.0000000000000000, -0.0114852500000000 ]  - [  -0.0090533700000000,  0.0000000000000000,  0.0110330400000000 ]  - [  -0.0101963500000000,  0.0000000000000000,  0.0123363400000000 ]  - [  -0.0087777200000000, -0.0000238200000000,  0.0115109300000000 ]  - [  -0.0082942900000000, -0.0002706900000000,  0.0113233800000000 ]  - [  -0.0087777200000000,  0.0000238200000000,  0.0115109300000000 ]  - [  -0.0082942900000000,  0.0002706900000000,  0.0113233800000000 ]  - [  -0.0088380300000000,  0.0000000000000000,  0.0115148500000000 ]  - [  -0.0086204400000000,  0.0000000000000000,  0.0115404800000000 ]  - [  -0.0087040600000000, -0.0000042900000000,  0.0114889100000000 ]  - [  -0.0086935300000000,  0.0000024300000000,  0.0114778900000000 ]  - [  -0.0087040600000000,  0.0000042900000000,  0.0114889100000000 ]  - [  -0.0086935300000000, -0.0000024300000000,  0.0114778900000000 ]  - [  -0.0089386000000000,  0.0000000000000000, -0.0106750100000000 ]  - [  -0.0087261800000000,  0.0000000000000000, -0.0114202000000000 ]  - [  -0.0085409500000000,  0.0000593500000000, -0.0108815400000000 ]  - [  -0.0087171800000000,  0.0000054000000000, -0.0114807600000000 ]  - [  -0.0085409500000000, -0.0000593500000000, -0.0108815400000000 ]  - [  -0.0087171800000000, -0.0000054000000000, -0.0114807600000000 ]  - [  -0.0099674600000000,  0.0000000000000000, -0.0131647400000000 ]  - [  -0.0087076400000000,  0.0000000000000000, -0.0114498700000000 ]  - [  -0.0090713100000000,  0.0001910000000000, -0.0115234200000000 ]  - [  -0.0087387600000000,  0.0000245600000000, -0.0114897300000000 ]  - [  -0.0090713100000000, -0.0001910000000000, -0.0115234200000000 ]  - [  -0.0087387600000000, -0.0000245600000000, -0.0114897300000000 ]  - [   0.0190500100000000,  0.0000000000000000,  0.0084807300000000 ]  - [  -0.0016984700000000,  0.0000000000000000,  0.0055069600000000 ]  - [  -0.0014134100000000, -0.0000426400000000,  0.0058719700000000 ]  - [  -0.0016975500000000, -0.0000126100000000,  0.0054851000000000 ]  - [  -0.0014134100000000,  0.0000426400000000,  0.0058719700000000 ]  - [  -0.0016975500000000,  0.0000126100000000,  0.0054851000000000 ]  - [  -0.0016825100000000,  0.0000000000000000,  0.0051961300000000 ]  - [  -0.0017034100000000,  0.0000000000000000,  0.0054938000000000 ]  - [  -0.0017749600000000,  0.0000825400000000,  0.0053684800000000 ]  - [  -0.0016910200000000,  0.0000016300000000,  0.0054923100000000 ]  - [  -0.0017749600000000, -0.0000825400000000,  0.0053684800000000 ]  - [  -0.0016910200000000, -0.0000016300000000,  0.0054923100000000 ]  - [  -0.0012336900000000,  0.0000000000000000, -0.0056971000000000 ]  - [  -0.0012172900000000,  0.0000000000000000, -0.0054554500000000 ]  - [  -0.0016599400000000,  0.0000826000000000, -0.0054489500000000 ]  - [  -0.0016583400000000, -0.0001160500000000, -0.0054838600000000 ]  - [  -0.0016599400000000, -0.0000826000000000, -0.0054489500000000 ]  - [  -0.0016583400000000,  0.0001160500000000, -0.0054838600000000 ]  - [  -0.0016682500000000,  0.0000000000000000, -0.0055328200000000 ]  - [  -0.0016676800000000,  0.0000000000000000, -0.0055028800000000 ]  - [  -0.0016838700000000,  0.0000068100000000, -0.0054880500000000 ]  - [  -0.0016838800000000, -0.0000002300000000, -0.0054940500000000 ]  - [  -0.0016838700000000, -0.0000068100000000, -0.0054880500000000 ]  - [  -0.0016838800000000,  0.0000002300000000, -0.0054940500000000 ]  - [   0.0018695000000000, -0.0001799500000000,  0.0054137200000000 ]  - [   0.0016824000000000,  0.0000062500000000,  0.0054853800000000 ]  - [   0.0018695000000000,  0.0001799500000000,  0.0054137200000000 ]  - [   0.0016824000000000, -0.0000062500000000,  0.0054853800000000 ]  - [   0.0016281700000000,  0.0000000000000000,  0.0053539300000000 ]  - [   0.0016811900000000,  0.0000000000000000,  0.0054901800000000 ]  - [   0.0018683500000000, -0.0001799500000000,  0.0054282500000000 ]  - [   0.0016831800000000,  0.0000014400000000,  0.0055002100000000 ]  - [   0.0018683500000000,  0.0001799500000000,  0.0054282500000000 ]  - [   0.0016831800000000, -0.0000014400000000,  0.0055002100000000 ]  - [   0.0016279600000000,  0.0000000000000000,  0.0054551900000000 ]  - [   0.0016818100000000,  0.0000000000000000,  0.0054872700000000 ]  - [   0.0016653800000000, -0.0000264700000000, -0.0054768100000000 ]  - [   0.0012789200000000, -0.0000990500000000, -0.0052677300000000 ]  - [   0.0016653800000000,  0.0000264700000000, -0.0054768100000000 ]  - [   0.0012789200000000,  0.0000990500000000, -0.0052677300000000 ]  - [   0.0017006000000000,  0.0000000000000000, -0.0054812700000000 ]  - [   0.0017122900000000,  0.0000000000000000, -0.0054327200000000 ]  - [   0.0016729300000000, -0.0000185500000000, -0.0055312800000000 ]  - [   0.0016511600000000,  0.0000119500000000, -0.0054803500000000 ]  - [   0.0016729300000000,  0.0000185500000000, -0.0055312800000000 ]  - [   0.0016511600000000, -0.0000119500000000, -0.0054803500000000 ]  - [   0.0016562700000000,  0.0000000000000000, -0.0054686400000000 ]  - [   0.0017023700000000,  0.0000000000000000, -0.0055167600000000 ]  - [  -0.0022769900000000,  0.0000222900000000, -0.0015138100000000 ]  - [  -0.0066770400000000, -0.0036681800000000, -0.0021042800000000 ]  - [  -0.0022769900000000, -0.0000222900000000, -0.0015138100000000 ]  - [  -0.0066770400000000,  0.0036681800000000, -0.0021042800000000 ]  - [  -0.0022685400000000,  0.0000000000000000, -0.0015337400000000 ]  - [  -0.0022657000000000,  0.0000000000000000, -0.0015712600000000 ]  - [  -0.0022559500000000,  0.0000010500000000, -0.0015327500000000 ]  - [  -0.0022173100000000,  0.0000213500000000, -0.0015194600000000 ]  - [  -0.0022559500000000, -0.0000010500000000, -0.0015327500000000 ]  - [  -0.0022173100000000, -0.0000213500000000, -0.0015194600000000 ]  - [  -0.0022765000000000,  0.0000000000000000, -0.0015126400000000 ]  - [  -0.0022315000000000,  0.0000000000000000, -0.0015166100000000 ]  - [  -0.0049690700000000,  0.0015960700000000,  0.0031104500000000 ]  - [  -0.0022542100000000, -0.0000185100000000,  0.0014939600000000 ]  - [  -0.0049690700000000, -0.0015960700000000,  0.0031104500000000 ]  - [  -0.0022542100000000,  0.0000185100000000,  0.0014939600000000 ]  - [  -0.0023778900000000,  0.0000000000000000,  0.0015627700000000 ]  - [  -0.0022801000000000,  0.0000000000000000,  0.0015031500000000 ]  - [  -0.0022912400000000,  0.0000296200000000,  0.0014586500000000 ]  - [  -0.0022768200000000,  0.0000063600000000,  0.0015209100000000 ]  - [  -0.0022912400000000, -0.0000296200000000,  0.0014586500000000 ]  - [  -0.0022768200000000, -0.0000063600000000,  0.0015209100000000 ]  - [  -0.0022888600000000,  0.0000000000000000,  0.0015370500000000 ]  - [  -0.0022535400000000,  0.0000000000000000,  0.0015268300000000 ]  - [   0.0021520100000000,  0.0000000000000000, -0.0016221500000000 ]  - [   0.0022132200000000,  0.0000000000000000, -0.0017270900000000 ]  - [   0.0022363200000000,  0.0000031800000000, -0.0015491300000000 ]  - [   0.0022787800000000, -0.0000494800000000, -0.0014417700000000 ]  - [   0.0022363200000000, -0.0000031800000000, -0.0015491300000000 ]  - [   0.0022787800000000,  0.0000494800000000, -0.0014417700000000 ]  - [   0.0025328900000000,  0.0000000000000000, -0.0010157900000000 ]  - [   0.0022496100000000,  0.0000000000000000, -0.0015329100000000 ]  - [   0.0022679700000000,  0.0000047200000000, -0.0015457500000000 ]  - [   0.0022782200000000, -0.0000603700000000, -0.0014992400000000 ]  - [   0.0022679700000000, -0.0000047200000000, -0.0015457500000000 ]  - [   0.0022782200000000,  0.0000603700000000, -0.0014992400000000 ]  - [   0.0013223600000000,  0.0000000000000000,  0.0035097800000000 ]  - [   0.0022464700000000,  0.0000000000000000,  0.0015033400000000 ]  - [   0.0024963200000000, -0.0001145600000000,  0.0012246900000000 ]  - [   0.0022472800000000, -0.0000003700000000,  0.0015261600000000 ]  - [   0.0024963200000000,  0.0001145600000000,  0.0012246900000000 ]  - [   0.0022472800000000,  0.0000003700000000,  0.0015261600000000 ]  - [   0.0023580800000000,  0.0000000000000000,  0.0019780400000000 ]  - [   0.0022647000000000,  0.0000000000000000,  0.0015274900000000 ]  - [   0.0022608500000000,  0.0000449100000000,  0.0015918700000000 ]  - [   0.0022396100000000,  0.0000060300000000,  0.0015256700000000 ]  - [   0.0022608500000000, -0.0000449100000000,  0.0015918700000000 ]  - [   0.0022396100000000, -0.0000060300000000,  0.0015256700000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0083973500000000,  0.0002395800000000,  0.0115357200000000 ]  - [   0.0091116500000000,  0.0001242900000000,  0.0118231900000000 ]  - [   0.0090177600000000,  0.0002338700000000,  0.0114135100000000 ]  - [   0.0083010600000000,  0.0001270800000000,  0.0111098100000000 ]  - [   0.0087097800000000,  0.0000691800000000,  0.0114716400000000 ]  - [   0.0087101200000000,  0.0000252200000000,  0.0114752800000000 ]  - [   0.0086982900000000,  0.0000223400000000,  0.0114704500000000 ]  - [   0.0086829200000000, -0.0000014400000000,  0.0114727100000000 ]  - [   0.0087225800000000,  0.0000219600000000,  0.0114805100000000 ]  - [   0.0087365200000000, -0.0000024800000000,  0.0114787600000000 ]  - [   0.0087112900000000, -0.0000603900000000,  0.0114792500000000 ]  - [   0.0087098100000000, -0.0000468300000000,  0.0114744000000000 ]  - [   0.0003438300000000,  0.0375960900000000, -0.0339076100000000 ]  - [   0.0087114000000000,  0.0000038200000000, -0.0114561600000000 ]  - [   0.0174731700000000,  0.0396089900000000,  0.0122243700000000 ]  - [   0.0087076300000000,  0.0000005300000000, -0.0115002100000000 ]  - [   0.0087081400000000, -0.0005044500000000, -0.0114789700000000 ]  - [   0.0087098000000000, -0.0000555200000000, -0.0114774900000000 ]  - [   0.0086467800000000,  0.0000547200000000, -0.0110880000000000 ]  - [   0.0087125100000000,  0.0000107100000000, -0.0114816500000000 ]  - [   0.0087695000000000,  0.0000337200000000, -0.0118390200000000 ]  - [   0.0087048800000000,  0.0000007000000000, -0.0114746800000000 ]  - [   0.0087127700000000, -0.0001816100000000, -0.0114745500000000 ]  - [   0.0087091300000000, -0.0000047900000000, -0.0114738300000000 ]  - [  -0.0087063600000000, -0.0000941700000000,  0.0114750400000000 ]  - [  -0.0087124800000000, -0.0002527200000000,  0.0114779600000000 ]  - [  -0.0088568000000000, -0.0000853200000000,  0.0114853900000000 ]  - [  -0.0084164200000000, -0.0002612400000000,  0.0113647300000000 ]  - [  -0.0085651000000000, -0.0000735900000000,  0.0114669500000000 ]  - [  -0.0089995600000000, -0.0002601000000000,  0.0115847700000000 ]  - [  -0.0087122900000000, -0.0000043300000000,  0.0114778000000000 ]  - [  -0.0087067900000000, -0.0000166900000000,  0.0114833500000000 ]  - [  -0.0087234400000000, -0.0000056900000000,  0.0114986000000000 ]  - [  -0.0087102500000000, -0.0000052600000000,  0.0114785800000000 ]  - [  -0.0086970000000000, -0.0000082300000000,  0.0114571600000000 ]  - [  -0.0087074100000000,  0.0000022600000000,  0.0114814700000000 ]  - [  -0.0087094300000000, -0.0003167700000000, -0.0114545300000000 ]  - [  -0.0087094400000000,  0.0000022100000000, -0.0114711500000000 ]  - [  -0.0087097100000000, -0.0002375600000000, -0.0121064500000000 ]  - [  -0.0087262900000000,  0.0000016500000000, -0.0114934500000000 ]  - [  -0.0087115100000000, -0.0002327800000000, -0.0108436500000000 ]  - [  -0.0086955100000000,  0.0000028500000000, -0.0114583300000000 ]  - [  -0.0087067800000000, -0.0030676800000000, -0.0113938300000000 ]  - [  -0.0087103700000000,  0.0000340900000000, -0.0114749900000000 ]  - [  -0.0085878200000000, -0.0010177200000000, -0.0110284900000000 ]  - [  -0.0087030300000000, -0.0000176800000000, -0.0114840300000000 ]  - [  -0.0088343500000000, -0.0010173600000000, -0.0119182600000000 ]  - [  -0.0087165000000000, -0.0000223000000000, -0.0114724000000000 ]  - [  -0.0019278400000000, -0.0864596400000000,  0.0042323600000000 ]  - [  -0.0016856200000000,  0.0000004100000000,  0.0054936300000000 ]  - [  -0.0017295000000000,  0.0016311100000000,  0.0051461800000000 ]  - [  -0.0016999200000000,  0.0000102800000000,  0.0055020700000000 ]  - [  -0.0016402300000000,  0.0016066400000000,  0.0058445200000000 ]  - [  -0.0016745700000000,  0.0000103100000000,  0.0054839900000000 ]  - [  -0.0016903600000000,  0.0000279500000000,  0.0054906400000000 ]  - [  -0.0016864100000000, -0.0000122700000000,  0.0054921900000000 ]  - [  -0.0016062100000000, -0.0000018700000000,  0.0056147700000000 ]  - [  -0.0016864200000000, -0.0000041100000000,  0.0054963700000000 ]  - [  -0.0017705900000000, -0.0000053200000000,  0.0053642700000000 ]  - [  -0.0016884900000000, -0.0000044600000000,  0.0054874200000000 ]  - [  -0.0016843200000000, -0.0000689800000000, -0.0054932800000000 ]  - [  -0.0016884700000000, -0.0000690900000000, -0.0054910200000000 ]  - [  -0.0018005300000000, -0.0000594300000000, -0.0055172000000000 ]  - [  -0.0016047900000000, -0.0000602600000000, -0.0055068100000000 ]  - [  -0.0015703500000000, -0.0000609100000000, -0.0054645700000000 ]  - [  -0.0017675500000000, -0.0000601800000000, -0.0054762600000000 ]  - [  -0.0016850600000000, -0.0000001100000000, -0.0054936900000000 ]  - [  -0.0016846500000000, -0.0000002300000000, -0.0054935200000000 ]  - [  -0.0016855300000000,  0.0000299100000000, -0.0055049200000000 ]  - [  -0.0016797900000000,  0.0000297600000000, -0.0054998500000000 ]  - [  -0.0016859800000000,  0.0000294000000000, -0.0054805200000000 ]  - [  -0.0016919600000000,  0.0000299300000000, -0.0054845300000000 ]  - [   0.0018679500000000,  0.0000826100000000,  0.0044884700000000 ]  - [   0.0016852800000000, -0.0000181600000000,  0.0054868600000000 ]  - [   0.0015043900000000,  0.0000761400000000,  0.0064741500000000 ]  - [   0.0016858300000000, -0.0000172200000000,  0.0054986400000000 ]  - [   0.0016862900000000,  0.0002646200000000,  0.0054908100000000 ]  - [   0.0016839200000000,  0.0000008000000000,  0.0054921600000000 ]  - [   0.0018670200000000,  0.0000723300000000,  0.0062079000000000 ]  - [   0.0016778400000000, -0.0000178800000000,  0.0054911300000000 ]  - [   0.0015104700000000,  0.0000858900000000,  0.0047568400000000 ]  - [   0.0016922400000000, -0.0000172300000000,  0.0054922200000000 ]  - [   0.0016859000000000,  0.0002653300000000,  0.0054899000000000 ]  - [   0.0016850300000000,  0.0000007300000000,  0.0054914100000000 ]  - [   0.0017114700000000,  0.0000037000000000, -0.0055056100000000 ]  - [   0.0017855200000000,  0.0001354000000000, -0.0055616400000000 ]  - [   0.0016612400000000,  0.0000046000000000, -0.0054806300000000 ]  - [   0.0015879600000000,  0.0001350000000000, -0.0054252000000000 ]  - [   0.0016859700000000,  0.0001024900000000, -0.0054923400000000 ]  - [   0.0016872400000000,  0.0002409400000000, -0.0054918200000000 ]  - [   0.0017039400000000,  0.0000311800000000, -0.0054502800000000 ]  - [   0.0016714900000000,  0.0000223400000000, -0.0055069000000000 ]  - [   0.0016676400000000,  0.0000321300000000, -0.0055366000000000 ]  - [   0.0016970100000000,  0.0000226100000000, -0.0054760400000000 ]  - [   0.0016858300000000,  0.0000277300000000, -0.0054925600000000 ]  - [   0.0016863100000000,  0.0000199200000000, -0.0054920700000000 ]  - [  -0.0022524400000000, -0.0000107400000000, -0.0015328300000000 ]  - [   0.0050923500000000,  0.0040141700000000, -0.0009630400000000 ]  - [  -0.0022560300000000, -0.0000155600000000, -0.0014995700000000 ]  - [  -0.0098362300000000,  0.0041734700000000, -0.0020564300000000 ]  - [  -0.0022517700000000,  0.0000375900000000, -0.0015178500000000 ]  - [  -0.0022525100000000,  0.0000095500000000, -0.0015168400000000 ]  - [  -0.0022600700000000,  0.0000025900000000, -0.0015166200000000 ]  - [  -0.0022444600000000,  0.0000009700000000, -0.0015142500000000 ]  - [  -0.0022438800000000, -0.0000018900000000, -0.0015189900000000 ]  - [  -0.0022647800000000, -0.0000035900000000, -0.0015182400000000 ]  - [  -0.0022550500000000, -0.0000008300000000, -0.0015180300000000 ]  - [  -0.0022550500000000,  0.0000216000000000, -0.0015155000000000 ]  - [  -0.0056864000000000,  0.0015278500000000,  0.0038194800000000 ]  - [  -0.0022372700000000,  0.0000014800000000,  0.0015429000000000 ]  - [   0.0012986500000000,  0.0016017600000000, -0.0008475200000000 ]  - [  -0.0022737700000000,  0.0000019200000000,  0.0014905300000000 ]  - [  -0.0022549300000000,  0.0000357800000000,  0.0015191100000000 ]  - [  -0.0022548200000000,  0.0000189200000000,  0.0015162500000000 ]  - [  -0.0022897000000000, -0.0000077400000000,  0.0014420000000000 ]  - [  -0.0022487500000000, -0.0000011600000000,  0.0015157600000000 ]  - [  -0.0022200800000000, -0.0000142600000000,  0.0015844300000000 ]  - [  -0.0022617100000000, -0.0000044400000000,  0.0015174900000000 ]  - [  -0.0022524700000000,  0.0000245100000000,  0.0015161700000000 ]  - [  -0.0022537600000000,  0.0000053400000000,  0.0015162300000000 ]  - [   0.0022522100000000, -0.0001349800000000, -0.0015174900000000 ]  - [   0.0022541800000000, -0.0000540900000000, -0.0015175500000000 ]  - [   0.0023809700000000,  0.0000752300000000, -0.0013858300000000 ]  - [   0.0022590300000000, -0.0000462900000000, -0.0014395400000000 ]  - [   0.0021203100000000,  0.0000815500000000, -0.0016520300000000 ]  - [   0.0022482600000000, -0.0000464400000000, -0.0015931800000000 ]  - [   0.0022584000000000, -0.0001504900000000, -0.0015169300000000 ]  - [   0.0022554200000000, -0.0000198200000000, -0.0015185200000000 ]  - [   0.0022612300000000,  0.0000168000000000, -0.0015310400000000 ]  - [   0.0022493200000000, -0.0000039500000000, -0.0015206300000000 ]  - [   0.0022447300000000,  0.0000173500000000, -0.0015074700000000 ]  - [   0.0022567400000000, -0.0000023800000000, -0.0015150600000000 ]  - [   0.0022598000000000, -0.0004854600000000,  0.0015099200000000 ]  - [   0.0022513200000000, -0.0000391200000000,  0.0015156500000000 ]  - [   0.0018352700000000,  0.0004293500000000,  0.0019137100000000 ]  - [   0.0022950100000000, -0.0000102400000000,  0.0015232300000000 ]  - [   0.0026775200000000,  0.0004309000000000,  0.0011201500000000 ]  - [   0.0022107500000000, -0.0000054100000000,  0.0015082800000000 ]  - [   0.0022505400000000,  0.0001822700000000,  0.0015147900000000 ]  - [   0.0022538200000000, -0.0000029000000000,  0.0015136000000000 ]  - [   0.0022204000000000, -0.0000647600000000,  0.0014246000000000 ]  - [   0.0022581900000000,  0.0000114100000000,  0.0015159800000000 ]  - [   0.0022812900000000, -0.0000592200000000,  0.0016129600000000 ]  - [   0.0022475400000000,  0.0000074800000000,  0.0015170000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0088606500000000,  0.0000557400000000,  0.0115955900000000 ]  - [   0.0088885000000000,  0.0001011000000000,  0.0115289900000000 ]  - [   0.0088606500000000, -0.0000557400000000,  0.0115955900000000 ]  - [   0.0088885000000000, -0.0001011000000000,  0.0115289900000000 ]  - [   0.0087587600000000,  0.0000000000000000,  0.0115472400000000 ]  - [   0.0087455500000000,  0.0000000000000000,  0.0115287900000000 ]  - [   0.0086722500000000,  0.0000028800000000,  0.0113724500000000 ]  - [   0.0087506500000000,  0.0000027200000000,  0.0113660600000000 ]  - [   0.0086722500000000, -0.0000028800000000,  0.0113724500000000 ]  - [   0.0087506500000000, -0.0000027200000000,  0.0113660600000000 ]  - [   0.0086742500000000,  0.0000000000000000,  0.0114092900000000 ]  - [   0.0087716700000000,  0.0000000000000000,  0.0114268100000000 ]  - [   0.0129678500000000, -0.0180606000000000, -0.0050052800000000 ]  - [   0.0086828300000000,  0.0000200600000000, -0.0114544900000000 ]  - [   0.0129678500000000,  0.0180606000000000, -0.0050052800000000 ]  - [   0.0086828300000000, -0.0000200600000000, -0.0114544900000000 ]  - [   0.0091809300000000,  0.0000000000000000, -0.0111251700000000 ]  - [   0.0086832400000000,  0.0000000000000000, -0.0114608400000000 ]  - [   0.0087357600000000, -0.0003906600000000, -0.0121630400000000 ]  - [   0.0087155800000000,  0.0000140300000000, -0.0114938800000000 ]  - [   0.0087357600000000,  0.0003906600000000, -0.0121630400000000 ]  - [   0.0087155800000000, -0.0000140300000000, -0.0114938800000000 ]  - [   0.0086191200000000,  0.0000000000000000, -0.0116399300000000 ]  - [   0.0087077000000000,  0.0000000000000000, -0.0114955800000000 ]  - [  -0.0086509100000000,  0.0000000000000000,  0.0115462900000000 ]  - [  -0.0097412500000000,  0.0000000000000000,  0.0116882700000000 ]  - [  -0.0088883900000000, -0.0000206600000000,  0.0114400100000000 ]  - [  -0.0085007800000000, -0.0000736000000000,  0.0113939200000000 ]  - [  -0.0088883900000000,  0.0000206600000000,  0.0114400100000000 ]  - [  -0.0085007800000000,  0.0000736000000000,  0.0113939200000000 ]  - [  -0.0086019900000000,  0.0000000000000000,  0.0115265200000000 ]  - [  -0.0083940900000000,  0.0000000000000000,  0.0112790900000000 ]  - [  -0.0087218500000000, -0.0000062100000000,  0.0114895400000000 ]  - [  -0.0087644300000000, -0.0000074800000000,  0.0115129600000000 ]  - [  -0.0087218500000000,  0.0000062100000000,  0.0114895400000000 ]  - [  -0.0087644300000000,  0.0000074800000000,  0.0115129600000000 ]  - [  -0.0083776500000000,  0.0000000000000000, -0.0107058500000000 ]  - [  -0.0087683100000000,  0.0000000000000000, -0.0114369500000000 ]  - [  -0.0086736400000000,  0.0000575500000000, -0.0119379100000000 ]  - [  -0.0087174200000000, -0.0000032300000000, -0.0114930000000000 ]  - [  -0.0086736400000000, -0.0000575500000000, -0.0119379100000000 ]  - [  -0.0087174200000000,  0.0000032300000000, -0.0114930000000000 ]  - [  -0.0054954500000000,  0.0000000000000000,  0.0211629800000000 ]  - [  -0.0086858500000000,  0.0000000000000000, -0.0114703000000000 ]  - [  -0.0087162800000000,  0.0002789200000000, -0.0118838100000000 ]  - [  -0.0086771900000000,  0.0000015500000000, -0.0114702000000000 ]  - [  -0.0087162800000000, -0.0002789200000000, -0.0118838100000000 ]  - [  -0.0086771900000000, -0.0000015500000000, -0.0114702000000000 ]  - [  -0.0045058900000000,  0.0000000000000000, -0.0430493000000000 ]  - [  -0.0016946700000000,  0.0000000000000000,  0.0054529500000000 ]  - [  -0.0020695600000000,  0.0003501200000000,  0.0040921300000000 ]  - [  -0.0016806800000000, -0.0000086400000000,  0.0054853600000000 ]  - [  -0.0020695600000000, -0.0003501200000000,  0.0040921300000000 ]  - [  -0.0016806800000000,  0.0000086400000000,  0.0054853600000000 ]  - [  -0.0013888500000000,  0.0000000000000000,  0.0052490300000000 ]  - [  -0.0016908200000000,  0.0000000000000000,  0.0054826000000000 ]  - [  -0.0015648200000000, -0.0001259600000000,  0.0058117800000000 ]  - [  -0.0016902200000000, -0.0000049400000000,  0.0055190800000000 ]  - [  -0.0015648200000000,  0.0001259600000000,  0.0058117800000000 ]  - [  -0.0016902200000000,  0.0000049400000000,  0.0055190800000000 ]  - [  -0.0016514900000000,  0.0000000000000000, -0.0055319300000000 ]  - [  -0.0018940600000000,  0.0000000000000000, -0.0055306500000000 ]  - [  -0.0016786200000000, -0.0000153200000000, -0.0055154200000000 ]  - [  -0.0016459600000000, -0.0000264700000000, -0.0055165800000000 ]  - [  -0.0016786200000000,  0.0000153200000000, -0.0055154200000000 ]  - [  -0.0016459600000000,  0.0000264700000000, -0.0055165800000000 ]  - [  -0.0016955700000000,  0.0000000000000000, -0.0053839500000000 ]  - [  -0.0017265500000000,  0.0000000000000000, -0.0053852700000000 ]  - [  -0.0016878000000000, -0.0000081200000000, -0.0054572400000000 ]  - [  -0.0016817100000000, -0.0000132100000000, -0.0054568900000000 ]  - [  -0.0016878000000000,  0.0000081200000000, -0.0054572400000000 ]  - [  -0.0016817100000000,  0.0000132100000000, -0.0054568900000000 ]  - [   0.0016195900000000, -0.0007319300000000,  0.0067168200000000 ]  - [   0.0016952000000000,  0.0000004900000000,  0.0054845300000000 ]  - [   0.0016195900000000,  0.0007319300000000,  0.0067168200000000 ]  - [   0.0016952000000000, -0.0000004900000000,  0.0054845300000000 ]  - [   0.0016514200000000,  0.0000000000000000,  0.0056828100000000 ]  - [   0.0016840800000000,  0.0000000000000000,  0.0055030200000000 ]  - [   0.0016125800000000,  0.0009950200000000,  0.0067122600000000 ]  - [   0.0016794800000000,  0.0000055600000000,  0.0054838600000000 ]  - [   0.0016125800000000, -0.0009950200000000,  0.0067122600000000 ]  - [   0.0016794800000000, -0.0000055600000000,  0.0054838600000000 ]  - [   0.0015514800000000,  0.0000000000000000,  0.0056799400000000 ]  - [   0.0016842800000000,  0.0000000000000000,  0.0055015100000000 ]  - [   0.0016717900000000, -0.0000131000000000, -0.0054371500000000 ]  - [   0.0014632300000000, -0.0000681600000000, -0.0053050200000000 ]  - [   0.0016717900000000,  0.0000131000000000, -0.0054371500000000 ]  - [   0.0014632300000000,  0.0000681600000000, -0.0053050200000000 ]  - [   0.0016779200000000,  0.0000000000000000, -0.0054398300000000 ]  - [   0.0016286500000000,  0.0000000000000000, -0.0054517100000000 ]  - [   0.0017266500000000,  0.0000437200000000, -0.0054817700000000 ]  - [   0.0016779100000000, -0.0000153500000000, -0.0055274800000000 ]  - [   0.0017266500000000, -0.0000437200000000, -0.0054817700000000 ]  - [   0.0016779100000000,  0.0000153500000000, -0.0055274800000000 ]  - [   0.0016633600000000,  0.0000000000000000, -0.0055279700000000 ]  - [   0.0017137800000000,  0.0000000000000000, -0.0055518600000000 ]  - [  -0.0022383100000000,  0.0000063300000000, -0.0015984400000000 ]  - [  -0.0042140600000000, -0.0007221700000000, -0.0023023700000000 ]  - [  -0.0022383100000000, -0.0000063300000000, -0.0015984400000000 ]  - [  -0.0042140600000000,  0.0007221700000000, -0.0023023700000000 ]  - [  -0.0022290400000000,  0.0000000000000000, -0.0015701100000000 ]  - [  -0.0023864200000000,  0.0000000000000000, -0.0015390100000000 ]  - [  -0.0022844400000000,  0.0000058400000000, -0.0014796500000000 ]  - [  -0.0021931500000000,  0.0000626200000000, -0.0014586800000000 ]  - [  -0.0022844400000000, -0.0000058400000000, -0.0014796500000000 ]  - [  -0.0021931500000000, -0.0000626200000000, -0.0014586800000000 ]  - [  -0.0022676100000000,  0.0000000000000000, -0.0014917500000000 ]  - [  -0.0022505800000000,  0.0000000000000000, -0.0014745900000000 ]  - [  -0.0032821700000000,  0.0006844500000000,  0.0006342300000000 ]  - [  -0.0022660100000000,  0.0000108900000000,  0.0015203600000000 ]  - [  -0.0032821700000000, -0.0006844500000000,  0.0006342300000000 ]  - [  -0.0022660100000000, -0.0000108900000000,  0.0015203600000000 ]  - [  -0.0022564000000000,  0.0000000000000000,  0.0013699200000000 ]  - [  -0.0022877400000000,  0.0000000000000000,  0.0014873200000000 ]  - [  -0.0022188100000000, -0.0000519300000000,  0.0017581600000000 ]  - [  -0.0022571900000000,  0.0000120300000000,  0.0015307300000000 ]  - [  -0.0022188100000000,  0.0000519300000000,  0.0017581600000000 ]  - [  -0.0022571900000000, -0.0000120300000000,  0.0015307300000000 ]  - [  -0.0022066500000000,  0.0000000000000000,  0.0015638500000000 ]  - [  -0.0022582900000000,  0.0000000000000000,  0.0015297500000000 ]  - [   0.0024353300000000,  0.0000000000000000, -0.0013648600000000 ]  - [   0.0022342600000000,  0.0000000000000000, -0.0015926600000000 ]  - [   0.0024057100000000,  0.0000513000000000, -0.0013691000000000 ]  - [   0.0022787100000000, -0.0000261600000000, -0.0014514500000000 ]  - [   0.0024057100000000, -0.0000513000000000, -0.0013691000000000 ]  - [   0.0022787100000000,  0.0000261600000000, -0.0014514500000000 ]  - [   0.0009164000000000,  0.0000000000000000, -0.0011652300000000 ]  - [   0.0022819200000000,  0.0000000000000000, -0.0015606400000000 ]  - [   0.0022578700000000,  0.0000019200000000, -0.0015358600000000 ]  - [   0.0022358700000000,  0.0000105500000000, -0.0015581400000000 ]  - [   0.0022578700000000, -0.0000019200000000, -0.0015358600000000 ]  - [   0.0022358700000000, -0.0000105500000000, -0.0015581400000000 ]  - [   0.0001902400000000,  0.0000000000000000,  0.0036772500000000 ]  - [   0.0023056900000000,  0.0000000000000000,  0.0015365100000000 ]  - [   0.0018969600000000,  0.0001379900000000,  0.0018475900000000 ]  - [   0.0022991600000000, -0.0000159500000000,  0.0015268200000000 ]  - [   0.0018969600000000, -0.0001379900000000,  0.0018475900000000 ]  - [   0.0022991600000000,  0.0000159500000000,  0.0015268200000000 ]  - [   0.0031356300000000,  0.0000000000000000,  0.0026584000000000 ]  - [   0.0022062500000000,  0.0000000000000000,  0.0015147500000000 ]  - [   0.0022860000000000, -0.0000241000000000,  0.0014847300000000 ]  - [   0.0022348200000000, -0.0000107700000000,  0.0015153900000000 ]  - [   0.0022860000000000,  0.0000241000000000,  0.0014847300000000 ]  - [   0.0022348200000000,  0.0000107700000000,  0.0015153900000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0085696200000000, -0.0000519600000000,  0.0113585400000000 ]  - [   0.0085311400000000, -0.0001157000000000,  0.0114030200000000 ]  - [   0.0085696200000000,  0.0000519600000000,  0.0113585400000000 ]  - [   0.0085311400000000,  0.0001157000000000,  0.0114030200000000 ]  - [   0.0086657100000000,  0.0000000000000000,  0.0113973800000000 ]  - [   0.0086763900000000,  0.0000000000000000,  0.0114148600000000 ]  - [   0.0087501000000000,  0.0000021900000000,  0.0115754500000000 ]  - [   0.0086725300000000, -0.0000037300000000,  0.0115785600000000 ]  - [   0.0087501000000000, -0.0000021900000000,  0.0115754500000000 ]  - [   0.0086725300000000,  0.0000037300000000,  0.0115785600000000 ]  - [   0.0087500800000000,  0.0000000000000000,  0.0115464800000000 ]  - [   0.0086505700000000,  0.0000000000000000,  0.0115160900000000 ]  - [   0.0045253200000000,  0.0176338900000000, -0.0178590900000000 ]  - [   0.0087377900000000, -0.0000181300000000, -0.0115017600000000 ]  - [   0.0045253200000000, -0.0176338900000000, -0.0178590900000000 ]  - [   0.0087377900000000,  0.0000181300000000, -0.0115017600000000 ]  - [   0.0082515200000000,  0.0000000000000000, -0.0118176100000000 ]  - [   0.0087374700000000,  0.0000000000000000, -0.0114967100000000 ]  - [   0.0086877900000000,  0.0004039800000000, -0.0107982100000000 ]  - [   0.0087044500000000, -0.0000020900000000, -0.0114656100000000 ]  - [   0.0086877900000000, -0.0004039800000000, -0.0107982100000000 ]  - [   0.0087044500000000,  0.0000020900000000, -0.0114656100000000 ]  - [   0.0088057600000000,  0.0000000000000000, -0.0113083700000000 ]  - [   0.0087127400000000,  0.0000000000000000, -0.0114497700000000 ]  - [  -0.0087728800000000,  0.0000000000000000,  0.0114030400000000 ]  - [  -0.0076917800000000,  0.0000000000000000,  0.0112782200000000 ]  - [  -0.0085386600000000,  0.0000096400000000,  0.0115131000000000 ]  - [  -0.0089204400000000,  0.0000784000000000,  0.0115594700000000 ]  - [  -0.0085386600000000, -0.0000096400000000,  0.0115131000000000 ]  - [  -0.0089204400000000, -0.0000784000000000,  0.0115594700000000 ]  - [  -0.0088167400000000,  0.0000000000000000,  0.0114181000000000 ]  - [  -0.0090225000000000,  0.0000000000000000,  0.0116899700000000 ]  - [  -0.0087025000000000,  0.0000091400000000,  0.0114666800000000 ]  - [  -0.0086561100000000,  0.0000007000000000,  0.0114538400000000 ]  - [  -0.0087025000000000, -0.0000091400000000,  0.0114666800000000 ]  - [  -0.0086561100000000, -0.0000007000000000,  0.0114538400000000 ]  - [  -0.0090335800000000,  0.0000000000000000, -0.0121753400000000 ]  - [  -0.0086545700000000,  0.0000000000000000, -0.0115064100000000 ]  - [  -0.0087518600000000, -0.0000612400000000, -0.0110274000000000 ]  - [  -0.0087070500000000,  0.0000013500000000, -0.0114624300000000 ]  - [  -0.0087518600000000,  0.0000612400000000, -0.0110274000000000 ]  - [  -0.0087070500000000, -0.0000013500000000, -0.0114624300000000 ]  - [  -0.0121466600000000,  0.0000000000000000, -0.0463731100000000 ]  - [  -0.0087374600000000,  0.0000000000000000, -0.0114808500000000 ]  - [  -0.0087091200000000, -0.0002765900000000, -0.0110757700000000 ]  - [  -0.0087440300000000,  0.0000075600000000, -0.0114881500000000 ]  - [  -0.0087091200000000,  0.0002765900000000, -0.0110757700000000 ]  - [  -0.0087440300000000, -0.0000075600000000, -0.0114881500000000 ]  - [   0.0015315700000000,  0.0000000000000000,  0.0562255000000000 ]  - [  -0.0016779600000000,  0.0000000000000000,  0.0055293900000000 ]  - [  -0.0013162700000000, -0.0003486300000000,  0.0068662300000000 ]  - [  -0.0016940600000000,  0.0000088900000000,  0.0054977800000000 ]  - [  -0.0013162700000000,  0.0003486300000000,  0.0068662300000000 ]  - [  -0.0016940600000000, -0.0000088900000000,  0.0054977800000000 ]  - [  -0.0019804900000000,  0.0000000000000000,  0.0057239200000000 ]  - [  -0.0016823000000000,  0.0000000000000000,  0.0055003700000000 ]  - [  -0.0018092000000000,  0.0001266900000000,  0.0051727100000000 ]  - [  -0.0016846500000000,  0.0000050400000000,  0.0054629600000000 ]  - [  -0.0018092000000000, -0.0001266900000000,  0.0051727100000000 ]  - [  -0.0016846500000000, -0.0000050400000000,  0.0054629600000000 ]  - [  -0.0017187800000000,  0.0000000000000000, -0.0054545700000000 ]  - [  -0.0014812200000000,  0.0000000000000000, -0.0054536400000000 ]  - [  -0.0016940900000000,  0.0000148500000000, -0.0054690400000000 ]  - [  -0.0017262400000000,  0.0000258100000000, -0.0054698000000000 ]  - [  -0.0016940900000000, -0.0000148500000000, -0.0054690400000000 ]  - [  -0.0017262400000000, -0.0000258100000000, -0.0054698000000000 ]  - [  -0.0016758800000000,  0.0000000000000000, -0.0056002900000000 ]  - [  -0.0016453400000000,  0.0000000000000000, -0.0056013500000000 ]  - [  -0.0016843600000000,  0.0000090600000000, -0.0055282000000000 ]  - [  -0.0016898400000000,  0.0000128900000000, -0.0055288100000000 ]  - [  -0.0016843600000000, -0.0000090600000000, -0.0055282000000000 ]  - [  -0.0016898400000000, -0.0000128900000000, -0.0055288100000000 ]  - [   0.0017450100000000,  0.0007174800000000,  0.0042621700000000 ]  - [   0.0016737100000000, -0.0000013900000000,  0.0054975000000000 ]  - [   0.0017450100000000, -0.0007174800000000,  0.0042621700000000 ]  - [   0.0016737100000000,  0.0000013900000000,  0.0054975000000000 ]  - [   0.0017182800000000,  0.0000000000000000,  0.0053010400000000 ]  - [   0.0016842500000000,  0.0000000000000000,  0.0054806200000000 ]  - [   0.0017580800000000, -0.0009933000000000,  0.0042623800000000 ]  - [   0.0016888700000000, -0.0000055300000000,  0.0054972600000000 ]  - [   0.0017580800000000,  0.0009933000000000,  0.0042623800000000 ]  - [   0.0016888700000000,  0.0000055300000000,  0.0054972600000000 ]  - [   0.0018189100000000,  0.0000000000000000,  0.0053005300000000 ]  - [   0.0016851600000000,  0.0000000000000000,  0.0054784500000000 ]  - [   0.0016993600000000,  0.0000104900000000, -0.0055469800000000 ]  - [   0.0019054300000000,  0.0000673900000000, -0.0056793400000000 ]  - [   0.0016993600000000, -0.0000104900000000, -0.0055469800000000 ]  - [   0.0019054300000000, -0.0000673900000000, -0.0056793400000000 ]  - [   0.0016940900000000,  0.0000000000000000, -0.0055429500000000 ]  - [   0.0017428900000000,  0.0000000000000000, -0.0055323500000000 ]  - [   0.0016447600000000, -0.0000428700000000, -0.0055043900000000 ]  - [   0.0016944000000000,  0.0000163500000000, -0.0054565300000000 ]  - [   0.0016447600000000,  0.0000428700000000, -0.0055043900000000 ]  - [   0.0016944000000000, -0.0000163500000000, -0.0054565300000000 ]  - [   0.0017070300000000,  0.0000000000000000, -0.0054574300000000 ]  - [   0.0016604500000000,  0.0000000000000000, -0.0054352900000000 ]  - [  -0.0022724300000000, -0.0000032300000000, -0.0014484200000000 ]  - [  -0.0002784700000000,  0.0007350500000000, -0.0007378100000000 ]  - [  -0.0022724300000000,  0.0000032300000000, -0.0014484200000000 ]  - [  -0.0002784700000000, -0.0007350500000000, -0.0007378100000000 ]  - [  -0.0022760100000000,  0.0000000000000000, -0.0014783600000000 ]  - [  -0.0021300900000000,  0.0000000000000000, -0.0015014200000000 ]  - [  -0.0022246100000000,  0.0000020500000000, -0.0015647200000000 ]  - [  -0.0023177800000000, -0.0000558100000000, -0.0015803100000000 ]  - [  -0.0022246100000000, -0.0000020500000000, -0.0015647200000000 ]  - [  -0.0023177800000000,  0.0000558100000000, -0.0015803100000000 ]  - [  -0.0022481000000000,  0.0000000000000000, -0.0015544100000000 ]  - [  -0.0022641200000000,  0.0000000000000000, -0.0015615700000000 ]  - [  -0.0012420200000000, -0.0006746000000000,  0.0023970400000000 ]  - [  -0.0022532900000000, -0.0000156100000000,  0.0015209200000000 ]  - [  -0.0012420200000000,  0.0006746000000000,  0.0023970400000000 ]  - [  -0.0022532900000000,  0.0000156100000000,  0.0015209200000000 ]  - [  -0.0022561600000000,  0.0000000000000000,  0.0016691400000000 ]  - [  -0.0022300900000000,  0.0000000000000000,  0.0015513700000000 ]  - [  -0.0022978700000000,  0.0000591300000000,  0.0012822700000000 ]  - [  -0.0022612200000000, -0.0000084100000000,  0.0015100600000000 ]  - [  -0.0022978700000000, -0.0000591300000000,  0.0012822700000000 ]  - [  -0.0022612200000000,  0.0000084100000000,  0.0015100600000000 ]  - [  -0.0023030600000000,  0.0000000000000000,  0.0014762400000000 ]  - [  -0.0022543800000000,  0.0000000000000000,  0.0015111800000000 ]  - [   0.0020730500000000,  0.0000000000000000, -0.0016806900000000 ]  - [   0.0022773400000000,  0.0000000000000000, -0.0014558500000000 ]  - [   0.0020992600000000, -0.0000591100000000, -0.0016784600000000 ]  - [   0.0022326200000000,  0.0000273500000000, -0.0015897200000000 ]  - [   0.0020992600000000,  0.0000591100000000, -0.0016784600000000 ]  - [   0.0022326200000000, -0.0000273500000000, -0.0015897200000000 ]  - [   0.0035930600000000,  0.0000000000000000, -0.0018880100000000 ]  - [   0.0022342500000000,  0.0000000000000000, -0.0014932700000000 ]  - [   0.0022499900000000, -0.0000016600000000, -0.0015138500000000 ]  - [   0.0022772400000000, -0.0000090100000000, -0.0014906600000000 ]  - [   0.0022499900000000,  0.0000016600000000, -0.0015138500000000 ]  - [   0.0022772400000000,  0.0000090100000000, -0.0014906600000000 ]  - [   0.0041713800000000,  0.0000000000000000, -0.0004795900000000 ]  - [   0.0022035500000000,  0.0000000000000000,  0.0015028000000000 ]  - [   0.0026107600000000, -0.0001385300000000,  0.0012027100000000 ]  - [   0.0022114600000000,  0.0000101700000000,  0.0015122300000000 ]  - [   0.0026107600000000,  0.0001385300000000,  0.0012027100000000 ]  - [   0.0022114600000000, -0.0000101700000000,  0.0015122300000000 ]  - [   0.0013827300000000,  0.0000000000000000,  0.0003948100000000 ]  - [   0.0023041400000000,  0.0000000000000000,  0.0015194300000000 ]  - [   0.0022161100000000,  0.0000175300000000,  0.0015619300000000 ]  - [   0.0022742500000000,  0.0000163400000000,  0.0015258100000000 ]  - [   0.0022161100000000, -0.0000175300000000,  0.0015619300000000 ]  - [   0.0022742500000000, -0.0000163400000000,  0.0015258100000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0248350200000000,  0.0000000000000000,  0.0332043100000000 ]  - [   0.0087750400000000,  0.0000000000000000,  0.0115033100000000 ]  - [   0.0086479500000000, -0.0003058600000000,  0.0116362300000000 ]  - [   0.0086566300000000, -0.0000217500000000,  0.0114868900000000 ]  - [   0.0086479500000000,  0.0003058600000000,  0.0116362300000000 ]  - [   0.0086566300000000,  0.0000217500000000,  0.0114868900000000 ]  - [   0.0088771700000000,  0.0000000000000000,  0.0112748400000000 ]  - [   0.0087107400000000,  0.0000000000000000,  0.0115341700000000 ]  - [   0.0087668900000000,  0.0000379300000000,  0.0115535200000000 ]  - [   0.0086342900000000, -0.0000386900000000,  0.0114424400000000 ]  - [   0.0087668900000000, -0.0000379300000000,  0.0115535200000000 ]  - [   0.0086342900000000,  0.0000386900000000,  0.0114424400000000 ]  - [   0.0085224200000000,  0.0000000000000000, -0.0114550100000000 ]  - [   0.0433598100000000,  0.0000000000000000,  0.0021215800000000 ]  - [   0.0085852900000000,  0.0000127200000000, -0.0115038300000000 ]  - [   0.0093007400000000,  0.0003257800000000, -0.0112774400000000 ]  - [   0.0085852900000000, -0.0000127200000000, -0.0115038300000000 ]  - [   0.0093007400000000, -0.0003257800000000, -0.0112774400000000 ]  - [   0.0086550400000000,  0.0000000000000000, -0.0114512500000000 ]  - [   0.0086953300000000,  0.0000000000000000, -0.0113952000000000 ]  - [   0.0086646200000000, -0.0000037000000000, -0.0114494700000000 ]  - [   0.0087445100000000, -0.0000444000000000, -0.0114076700000000 ]  - [   0.0086646200000000,  0.0000037000000000, -0.0114494700000000 ]  - [   0.0087445100000000,  0.0000444000000000, -0.0114076700000000 ]  - [  -0.0069975200000000, -0.0018339700000000,  0.0106316800000000 ]  - [  -0.0089745100000000, -0.0001080700000000,  0.0114769400000000 ]  - [  -0.0085553200000000,  0.0000000000000000,  0.0115446100000000 ]  - [  -0.0087470900000000,  0.0000000000000000,  0.0114654400000000 ]  - [  -0.0069975200000000,  0.0018339700000000,  0.0106316800000000 ]  - [  -0.0089745100000000,  0.0001080700000000,  0.0114769400000000 ]  - [  -0.0087093000000000,  0.0000146300000000,  0.0113568100000000 ]  - [  -0.0087567900000000, -0.0000123800000000,  0.0114770300000000 ]  - [  -0.0086874600000000,  0.0000000000000000,  0.0115200000000000 ]  - [  -0.0087372100000000,  0.0000000000000000,  0.0114938500000000 ]  - [  -0.0087093000000000, -0.0000146300000000,  0.0113568100000000 ]  - [  -0.0087567900000000,  0.0000123800000000,  0.0114770300000000 ]  - [  -0.0087026100000000, -0.0000078300000000, -0.0114083600000000 ]  - [  -0.0085451000000000,  0.0000138000000000, -0.0115541400000000 ]  - [  -0.0087455600000000,  0.0000000000000000, -0.0114871000000000 ]  - [  -0.0087075700000000,  0.0000000000000000, -0.0115619400000000 ]  - [  -0.0087026100000000,  0.0000078300000000, -0.0114083600000000 ]  - [  -0.0085451000000000, -0.0000138000000000, -0.0115541400000000 ]  - [  -0.0087335800000000, -0.0000387100000000, -0.0114668900000000 ]  - [  -0.0083629600000000,  0.0004846000000000, -0.0120971400000000 ]  - [  -0.0087051900000000,  0.0000000000000000, -0.0114700100000000 ]  - [  -0.0086752600000000,  0.0000000000000000, -0.0114581400000000 ]  - [  -0.0087335800000000,  0.0000387100000000, -0.0114668900000000 ]  - [  -0.0083629600000000, -0.0004846000000000, -0.0120971400000000 ]  - [  -0.0016702700000000,  0.0000027700000000,  0.0055078600000000 ]  - [   0.0027442100000000,  0.0075809200000000,  0.0035118400000000 ]  - [  -0.0016751700000000,  0.0000000000000000,  0.0055154200000000 ]  - [  -0.0016794200000000,  0.0000000000000000,  0.0053642600000000 ]  - [  -0.0016702700000000, -0.0000027700000000,  0.0055078600000000 ]  - [   0.0027442100000000, -0.0075809200000000,  0.0035118400000000 ]  - [  -0.0016897700000000, -0.0000069600000000,  0.0054627600000000 ]  - [  -0.0017318100000000,  0.0000108700000000,  0.0055537300000000 ]  - [  -0.0016730700000000,  0.0000000000000000,  0.0054821200000000 ]  - [  -0.0017196200000000,  0.0000000000000000,  0.0054988900000000 ]  - [  -0.0016897700000000,  0.0000069600000000,  0.0054627600000000 ]  - [  -0.0017318100000000, -0.0000108700000000,  0.0055537300000000 ]  - [   0.0010187600000000, -0.0034264900000000, -0.0045008900000000 ]  - [  -0.0016966800000000,  0.0000169700000000, -0.0054851300000000 ]  - [  -0.0015696100000000,  0.0000000000000000, -0.0054920800000000 ]  - [  -0.0016693000000000,  0.0000000000000000, -0.0054633700000000 ]  - [   0.0010187600000000,  0.0034264900000000, -0.0045008900000000 ]  - [  -0.0016966800000000, -0.0000169700000000, -0.0054851300000000 ]  - [  -0.0016566300000000, -0.0000324600000000, -0.0055287800000000 ]  - [  -0.0016723000000000,  0.0000087700000000, -0.0054941800000000 ]  - [  -0.0016563700000000,  0.0000000000000000, -0.0055381500000000 ]  - [  -0.0016937400000000,  0.0000000000000000, -0.0054910400000000 ]  - [  -0.0016566300000000,  0.0000324600000000, -0.0055287800000000 ]  - [  -0.0016723000000000, -0.0000087700000000, -0.0054941800000000 ]  - [   0.0016923400000000,  0.0000000000000000,  0.0054701400000000 ]  - [   0.0014111300000000,  0.0000000000000000,  0.0068253200000000 ]  - [   0.0016622500000000, -0.0000021700000000,  0.0055130800000000 ]  - [   0.0016716500000000,  0.0000080300000000,  0.0054857100000000 ]  - [   0.0016622500000000,  0.0000021700000000,  0.0055130800000000 ]  - [   0.0016716500000000, -0.0000080300000000,  0.0054857100000000 ]  - [   0.0017304000000000,  0.0000000000000000,  0.0055148300000000 ]  - [   0.0017850500000000,  0.0000000000000000,  0.0053109700000000 ]  - [   0.0016632200000000,  0.0000042300000000,  0.0054700100000000 ]  - [   0.0016995900000000,  0.0001299000000000,  0.0053385900000000 ]  - [   0.0016632200000000, -0.0000042300000000,  0.0054700100000000 ]  - [   0.0016995900000000, -0.0001299000000000,  0.0053385900000000 ]  - [   0.0025634500000000,  0.0000000000000000, -0.0074266900000000 ]  - [   0.0016929400000000,  0.0000000000000000, -0.0054443600000000 ]  - [   0.0014487500000000, -0.0004158400000000, -0.0058482500000000 ]  - [   0.0016923900000000,  0.0000413000000000, -0.0054499500000000 ]  - [   0.0014487500000000,  0.0004158400000000, -0.0058482500000000 ]  - [   0.0016923900000000, -0.0000413000000000, -0.0054499500000000 ]  - [   0.0015846600000000,  0.0000000000000000, -0.0046171400000000 ]  - [   0.0016758700000000,  0.0000000000000000, -0.0055406700000000 ]  - [   0.0016740400000000, -0.0000319500000000, -0.0054600800000000 ]  - [   0.0016995900000000,  0.0000054300000000, -0.0055149000000000 ]  - [   0.0016740400000000,  0.0000319500000000, -0.0054600800000000 ]  - [   0.0016995900000000, -0.0000054300000000, -0.0055149000000000 ]  - [  -0.0723939900000000,  0.0000000000000000, -0.0332947100000000 ]  - [  -0.0021192900000000,  0.0000000000000000, -0.0014891800000000 ]  - [  -0.0027766000000000, -0.0000603200000000, -0.0013761300000000 ]  - [  -0.0021537500000000,  0.0000240200000000, -0.0015214400000000 ]  - [  -0.0027766000000000,  0.0000603200000000, -0.0013761300000000 ]  - [  -0.0021537500000000, -0.0000240200000000, -0.0015214400000000 ]  - [  -0.0023976000000000,  0.0000000000000000, -0.0015270100000000 ]  - [  -0.0021797100000000,  0.0000000000000000, -0.0015301900000000 ]  - [  -0.0023151700000000,  0.0000114900000000, -0.0015494800000000 ]  - [  -0.0021925800000000, -0.0000068600000000, -0.0015198300000000 ]  - [  -0.0023151700000000, -0.0000114900000000, -0.0015494800000000 ]  - [  -0.0021925800000000,  0.0000068600000000, -0.0015198300000000 ]  - [  -0.0011598800000000,  0.0000000000000000,  0.0019412100000000 ]  - [  -0.0011435500000000,  0.0000000000000000,  0.0005546500000000 ]  - [  -0.0021967900000000,  0.0000037600000000,  0.0015860500000000 ]  - [  -0.0021972500000000,  0.0000278500000000,  0.0015553700000000 ]  - [  -0.0021967900000000, -0.0000037600000000,  0.0015860500000000 ]  - [  -0.0021972500000000, -0.0000278500000000,  0.0015553700000000 ]  - [  -0.0022145700000000,  0.0000000000000000,  0.0014655200000000 ]  - [  -0.0022134600000000,  0.0000000000000000,  0.0015387000000000 ]  - [  -0.0022334600000000, -0.0000169100000000,  0.0015003700000000 ]  - [  -0.0022333100000000,  0.0000157800000000,  0.0015396000000000 ]  - [  -0.0022334600000000,  0.0000169100000000,  0.0015003700000000 ]  - [  -0.0022333100000000, -0.0000157800000000,  0.0015396000000000 ]  - [   0.0023628200000000,  0.0001058800000000, -0.0019062300000000 ]  - [   0.0023399600000000,  0.0000784300000000, -0.0013822500000000 ]  - [   0.0022897600000000,  0.0000000000000000, -0.0015100000000000 ]  - [   0.0022483900000000,  0.0000000000000000, -0.0015058500000000 ]  - [   0.0023628200000000, -0.0001058800000000, -0.0019062300000000 ]  - [   0.0023399600000000, -0.0000784300000000, -0.0013822500000000 ]  - [   0.0023641600000000, -0.0000566200000000, -0.0014210500000000 ]  - [   0.0023422400000000,  0.0000046900000000, -0.0015316100000000 ]  - [   0.0022897800000000,  0.0000000000000000, -0.0014849800000000 ]  - [   0.0022467000000000,  0.0000000000000000, -0.0015377000000000 ]  - [   0.0023641600000000,  0.0000566200000000, -0.0014210500000000 ]  - [   0.0023422400000000, -0.0000046900000000, -0.0015316100000000 ]  - [   0.0023974700000000, -0.0000073200000000,  0.0015169400000000 ]  - [   0.0010912700000000,  0.0010730800000000,  0.0025677100000000 ]  - [   0.0023144400000000,  0.0000000000000000,  0.0015016000000000 ]  - [   0.0020284400000000,  0.0000000000000000,  0.0016584600000000 ]  - [   0.0023974700000000,  0.0000073200000000,  0.0015169400000000 ]  - [   0.0010912700000000, -0.0010730800000000,  0.0025677100000000 ]  - [   0.0023150800000000,  0.0000045200000000,  0.0015186900000000 ]  - [   0.0021167100000000,  0.0000067400000000,  0.0013922900000000 ]  - [   0.0023204800000000,  0.0000000000000000,  0.0015010400000000 ]  - [   0.0022019500000000,  0.0000000000000000,  0.0015124500000000 ]  - [   0.0023150800000000, -0.0000045200000000,  0.0015186900000000 ]  - [   0.0021167100000000, -0.0000067400000000,  0.0013922900000000 ]- atom:   97  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0077134700000000,  0.0000000000000000, -0.0109416700000000 ]  - [   0.0086464400000000,  0.0000000000000000,  0.0114342300000000 ]  - [   0.0087715000000000,  0.0003051000000000,  0.0113160500000000 ]  - [   0.0087613300000000,  0.0000237300000000,  0.0114662700000000 ]  - [   0.0087715000000000, -0.0003051000000000,  0.0113160500000000 ]  - [   0.0087613300000000, -0.0000237300000000,  0.0114662700000000 ]  - [   0.0085414100000000,  0.0000000000000000,  0.0116785900000000 ]  - [   0.0087081800000000,  0.0000000000000000,  0.0114176100000000 ]  - [   0.0086504800000000, -0.0000423000000000,  0.0113995100000000 ]  - [   0.0087846700000000,  0.0000417400000000,  0.0115084000000000 ]  - [   0.0086504800000000,  0.0000423000000000,  0.0113995100000000 ]  - [   0.0087846700000000, -0.0000417400000000,  0.0115084000000000 ]  - [   0.0088977600000000,  0.0000000000000000, -0.0114933800000000 ]  - [  -0.0243215900000000,  0.0000000000000000, -0.0243660900000000 ]  - [   0.0088334500000000, -0.0000221900000000, -0.0114486400000000 ]  - [   0.0081195100000000, -0.0003123900000000, -0.0116786000000000 ]  - [   0.0088334500000000,  0.0000221900000000, -0.0114486400000000 ]  - [   0.0081195100000000,  0.0003123900000000, -0.0116786000000000 ]  - [   0.0087625800000000,  0.0000000000000000, -0.0115081200000000 ]  - [   0.0087214400000000,  0.0000000000000000, -0.0115612700000000 ]  - [   0.0087530100000000, -0.0000021200000000, -0.0115046800000000 ]  - [   0.0086729800000000,  0.0000458100000000, -0.0115448400000000 ]  - [   0.0087530100000000,  0.0000021200000000, -0.0115046800000000 ]  - [   0.0086729800000000, -0.0000458100000000, -0.0115448400000000 ]  - [  -0.0104564800000000,  0.0018786800000000,  0.0123546600000000 ]  - [  -0.0084420900000000,  0.0001114300000000,  0.0114800700000000 ]  - [  -0.0088682000000000,  0.0000000000000000,  0.0114117300000000 ]  - [  -0.0086706000000000,  0.0000000000000000,  0.0114907000000000 ]  - [  -0.0104564800000000, -0.0018786800000000,  0.0123546600000000 ]  - [  -0.0084420900000000, -0.0001114300000000,  0.0114800700000000 ]  - [  -0.0087091500000000, -0.0000176800000000,  0.0115957900000000 ]  - [  -0.0086601800000000,  0.0000021000000000,  0.0114876000000000 ]  - [  -0.0087320900000000,  0.0000000000000000,  0.0114409600000000 ]  - [  -0.0086810300000000,  0.0000000000000000,  0.0114614300000000 ]  - [  -0.0087091500000000,  0.0000176800000000,  0.0115957900000000 ]  - [  -0.0086601800000000, -0.0000021000000000,  0.0114876000000000 ]  - [  -0.0087141500000000, -0.0000020500000000, -0.0115476500000000 ]  - [  -0.0088739700000000, -0.0000131000000000, -0.0113879200000000 ]  - [  -0.0086733600000000,  0.0000000000000000, -0.0114689700000000 ]  - [  -0.0087134900000000,  0.0000000000000000, -0.0113867700000000 ]  - [  -0.0087141500000000,  0.0000020500000000, -0.0115476500000000 ]  - [  -0.0088739700000000,  0.0000131000000000, -0.0113879200000000 ]  - [  -0.0086859100000000,  0.0000424200000000, -0.0114852500000000 ]  - [  -0.0090584100000000, -0.0004688700000000, -0.0108693700000000 ]  - [  -0.0087152100000000,  0.0000000000000000, -0.0114917400000000 ]  - [  -0.0087424900000000,  0.0000000000000000, -0.0114960500000000 ]  - [  -0.0086859100000000, -0.0000424200000000, -0.0114852500000000 ]  - [  -0.0090584100000000,  0.0004688700000000, -0.0108693700000000 ]  - [  -0.0017048400000000, -0.0000025700000000,  0.0054760200000000 ]  - [  -0.0059611300000000, -0.0073439200000000,  0.0074480600000000 ]  - [  -0.0017017300000000,  0.0000000000000000,  0.0054699400000000 ]  - [  -0.0016942900000000,  0.0000000000000000,  0.0056220200000000 ]  - [  -0.0017048400000000,  0.0000025700000000,  0.0054760200000000 ]  - [  -0.0059611300000000,  0.0073439200000000,  0.0074480600000000 ]  - [  -0.0016868200000000,  0.0000086500000000,  0.0055237500000000 ]  - [  -0.0016460700000000, -0.0000099000000000,  0.0054297600000000 ]  - [  -0.0017024900000000,  0.0000000000000000,  0.0055017400000000 ]  - [  -0.0016585500000000,  0.0000000000000000,  0.0054863400000000 ]  - [  -0.0016868200000000, -0.0000086500000000,  0.0055237500000000 ]  - [  -0.0016460700000000,  0.0000099000000000,  0.0054297600000000 ]  - [  -0.0044828500000000,  0.0035562300000000, -0.0065397200000000 ]  - [  -0.0016781600000000, -0.0000174400000000, -0.0054977400000000 ]  - [  -0.0018062800000000,  0.0000000000000000, -0.0054925000000000 ]  - [  -0.0017052200000000,  0.0000000000000000, -0.0055209100000000 ]  - [  -0.0044828500000000, -0.0035562300000000, -0.0065397200000000 ]  - [  -0.0016781600000000,  0.0000174400000000, -0.0054977400000000 ]  - [  -0.0017174900000000,  0.0000334000000000, -0.0054532200000000 ]  - [  -0.0017024700000000, -0.0000077100000000, -0.0054909500000000 ]  - [  -0.0017188900000000,  0.0000000000000000, -0.0054456100000000 ]  - [  -0.0016814800000000,  0.0000000000000000, -0.0054921500000000 ]  - [  -0.0017174900000000, -0.0000334000000000, -0.0054532200000000 ]  - [  -0.0017024700000000,  0.0000077100000000, -0.0054909500000000 ]  - [   0.0016820000000000,  0.0000000000000000,  0.0055151100000000 ]  - [   0.0019675400000000,  0.0000000000000000,  0.0041530000000000 ]  - [   0.0017099400000000,  0.0000024800000000,  0.0054710000000000 ]  - [   0.0016996400000000, -0.0000099600000000,  0.0054977400000000 ]  - [   0.0017099400000000, -0.0000024800000000,  0.0054710000000000 ]  - [   0.0016996400000000,  0.0000099600000000,  0.0054977400000000 ]  - [   0.0016424300000000,  0.0000000000000000,  0.0054702700000000 ]  - [   0.0015888000000000,  0.0000000000000000,  0.0056712600000000 ]  - [   0.0017109700000000, -0.0000039400000000,  0.0055148000000000 ]  - [   0.0016720000000000, -0.0001281800000000,  0.0056438200000000 ]  - [   0.0017109700000000,  0.0000039400000000,  0.0055148000000000 ]  - [   0.0016720000000000,  0.0001281800000000,  0.0056438200000000 ]  - [   0.0007554300000000,  0.0000000000000000, -0.0034505200000000 ]  - [   0.0016833200000000,  0.0000000000000000, -0.0055429600000000 ]  - [   0.0019334100000000,  0.0004194800000000, -0.0051340000000000 ]  - [   0.0016819900000000, -0.0000420000000000, -0.0055352400000000 ]  - [   0.0019334100000000, -0.0004194800000000, -0.0051340000000000 ]  - [   0.0016819900000000,  0.0000420000000000, -0.0055352400000000 ]  - [   0.0017909600000000,  0.0000000000000000, -0.0063609200000000 ]  - [   0.0016983600000000,  0.0000000000000000, -0.0054421200000000 ]  - [   0.0017010300000000,  0.0000327100000000, -0.0055260100000000 ]  - [   0.0016763900000000, -0.0000050700000000, -0.0054711300000000 ]  - [   0.0017010300000000, -0.0000327100000000, -0.0055260100000000 ]  - [   0.0016763900000000,  0.0000050700000000, -0.0054711300000000 ]  - [   0.0666122600000000,  0.0000000000000000,  0.0302734800000000 ]  - [  -0.0023874700000000,  0.0000000000000000, -0.0015441400000000 ]  - [  -0.0017263500000000,  0.0000638600000000, -0.0016548900000000 ]  - [  -0.0023519100000000, -0.0000250900000000, -0.0015078300000000 ]  - [  -0.0017263500000000, -0.0000638600000000, -0.0016548900000000 ]  - [  -0.0023519100000000,  0.0000250900000000, -0.0015078300000000 ]  - [  -0.0021060600000000,  0.0000000000000000, -0.0015028500000000 ]  - [  -0.0023248500000000,  0.0000000000000000, -0.0015003900000000 ]  - [  -0.0021878200000000, -0.0000113500000000, -0.0014828600000000 ]  - [  -0.0023114300000000,  0.0000067900000000, -0.0015116900000000 ]  - [  -0.0021878200000000,  0.0000113500000000, -0.0014828600000000 ]  - [  -0.0023114300000000, -0.0000067900000000, -0.0015116900000000 ]  - [  -0.0033611800000000,  0.0000000000000000,  0.0010801700000000 ]  - [  -0.0033449800000000,  0.0000000000000000,  0.0024846300000000 ]  - [  -0.0023069900000000, -0.0000061100000000,  0.0014452300000000 ]  - [  -0.0023078900000000, -0.0000286600000000,  0.0014774900000000 ]  - [  -0.0023069900000000,  0.0000061100000000,  0.0014452300000000 ]  - [  -0.0023078900000000,  0.0000286600000000,  0.0014774900000000 ]  - [  -0.0022917800000000,  0.0000000000000000,  0.0015668500000000 ]  - [  -0.0022920600000000,  0.0000000000000000,  0.0014919100000000 ]  - [  -0.0022713400000000,  0.0000163800000000,  0.0015317000000000 ]  - [  -0.0022721500000000, -0.0000149000000000,  0.0014924600000000 ]  - [  -0.0022713400000000, -0.0000163800000000,  0.0015317000000000 ]  - [  -0.0022721500000000,  0.0000149000000000,  0.0014924600000000 ]  - [   0.0021395400000000, -0.0001081700000000, -0.0011233200000000 ]  - [   0.0021592400000000, -0.0000790400000000, -0.0016514600000000 ]  - [   0.0022118700000000,  0.0000000000000000, -0.0015218300000000 ]  - [   0.0022549100000000,  0.0000000000000000, -0.0015253700000000 ]  - [   0.0021395400000000,  0.0001081700000000, -0.0011233200000000 ]  - [   0.0021592400000000,  0.0000790400000000, -0.0016514600000000 ]  - [   0.0021404400000000,  0.0000566300000000, -0.0016112400000000 ]  - [   0.0021616000000000, -0.0000064800000000, -0.0014980200000000 ]  - [   0.0022119800000000,  0.0000000000000000, -0.0015475900000000 ]  - [   0.0022538900000000,  0.0000000000000000, -0.0014964700000000 ]  - [   0.0021404400000000, -0.0000566300000000, -0.0016112400000000 ]  - [   0.0021616000000000,  0.0000064800000000, -0.0014980200000000 ]  - [   0.0021045600000000,  0.0000080000000000,  0.0015142800000000 ]  - [   0.0034202500000000, -0.0010926800000000,  0.0004431300000000 ]  - [   0.0021869900000000,  0.0000000000000000,  0.0015317600000000 ]  - [   0.0024761000000000,  0.0000000000000000,  0.0013741800000000 ]  - [   0.0021045600000000, -0.0000080000000000,  0.0015142800000000 ]  - [   0.0034202500000000,  0.0010926800000000,  0.0004431300000000 ]  - [   0.0021877400000000, -0.0000041000000000,  0.0015126200000000 ]  - [   0.0023845900000000, -0.0000058400000000,  0.0016381200000000 ]  - [   0.0021839300000000,  0.0000000000000000,  0.0015315800000000 ]  - [   0.0023018300000000,  0.0000000000000000,  0.0015168200000000 ]  - [   0.0021877400000000,  0.0000041000000000,  0.0015126200000000 ]  - [   0.0023845900000000,  0.0000058400000000,  0.0016381200000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0087444500000000, -0.0033997100000000,  0.0114918400000000 ]  - [   0.0087099700000000, -0.0000091200000000,  0.0114605900000000 ]  - [   0.0087429100000000,  0.0004406300000000,  0.0111498300000000 ]  - [   0.0087219000000000, -0.0000007600000000,  0.0114820500000000 ]  - [   0.0086737000000000,  0.0004444300000000,  0.0117980500000000 ]  - [   0.0086994800000000, -0.0000071300000000,  0.0114675900000000 ]  - [   0.0087116400000000,  0.0001228100000000,  0.0114722900000000 ]  - [   0.0087113900000000,  0.0000066000000000,  0.0114734100000000 ]  - [   0.0086882600000000, -0.0000425200000000,  0.0113742200000000 ]  - [   0.0087017700000000,  0.0000017300000000,  0.0114880400000000 ]  - [   0.0087330000000000, -0.0000352400000000,  0.0115749400000000 ]  - [   0.0087207800000000,  0.0000002700000000,  0.0114595900000000 ]  - [   0.0087105800000000,  0.0000134600000000, -0.0114666600000000 ]  - [   0.0086384800000000, -0.0038958000000000, -0.0115091400000000 ]  - [   0.0087727000000000, -0.0000149700000000, -0.0114526500000000 ]  - [   0.0092469700000000,  0.0006189100000000, -0.0112739200000000 ]  - [   0.0086506900000000, -0.0000051100000000, -0.0114947800000000 ]  - [   0.0081792100000000,  0.0005986200000000, -0.0116833800000000 ]  - [   0.0087110600000000,  0.0000180800000000, -0.0114785800000000 ]  - [   0.0087097600000000,  0.0000638700000000, -0.0114813300000000 ]  - [   0.0086930500000000, -0.0000051200000000, -0.0114867700000000 ]  - [   0.0087170500000000, -0.0000562700000000, -0.0114499000000000 ]  - [   0.0087293500000000,  0.0000046700000000, -0.0114673200000000 ]  - [   0.0087018000000000, -0.0000499700000000, -0.0115049200000000 ]  - [  -0.0113135200000000,  0.0010015000000000,  0.0124316500000000 ]  - [  -0.0086253600000000,  0.0000411400000000,  0.0114862600000000 ]  - [  -0.0087104800000000, -0.0003118300000000,  0.0114797600000000 ]  - [  -0.0087092000000000,  0.0000002500000000,  0.0114771000000000 ]  - [  -0.0061307900000000,  0.0010024300000000,  0.0105224400000000 ]  - [  -0.0087923800000000,  0.0000400400000000,  0.0114746800000000 ]  - [  -0.0086466400000000,  0.0002018700000000,  0.0111009500000000 ]  - [  -0.0086988500000000, -0.0000165500000000,  0.0114726400000000 ]  - [  -0.0087103100000000,  0.0000163900000000,  0.0114828000000000 ]  - [  -0.0087091500000000, -0.0000044200000000,  0.0114811600000000 ]  - [  -0.0087722500000000,  0.0002066400000000,  0.0118457300000000 ]  - [  -0.0087166300000000,  0.0000054400000000,  0.0115025400000000 ]  - [  -0.0088128700000000, -0.0000093400000000, -0.0115008400000000 ]  - [  -0.0088890800000000,  0.0002049500000000, -0.0113547600000000 ]  - [  -0.0087109500000000,  0.0000171000000000, -0.0114811200000000 ]  - [  -0.0087109600000000, -0.0000007100000000, -0.0114727800000000 ]  - [  -0.0086054600000000,  0.0000112600000000, -0.0114629000000000 ]  - [  -0.0085323700000000,  0.0002085700000000, -0.0115888600000000 ]  - [  -0.0088677000000000,  0.0001188300000000, -0.0115758900000000 ]  - [  -0.0084162600000000,  0.0001670700000000, -0.0123057500000000 ]  - [  -0.0087116700000000,  0.0000339200000000, -0.0114816700000000 ]  - [  -0.0087094500000000, -0.0000457300000000, -0.0114746600000000 ]  - [  -0.0085542400000000,  0.0001186900000000, -0.0113773500000000 ]  - [  -0.0090099500000000,  0.0001698900000000, -0.0106480100000000 ]  - [  -0.0017061600000000, -0.0000235000000000,  0.0054954200000000 ]  - [   0.0019877400000000,  0.0041583500000000,  0.0047585300000000 ]  - [  -0.0016863900000000,  0.0000301300000000,  0.0054917000000000 ]  - [  -0.0016858800000000, -0.0000046500000000,  0.0054939400000000 ]  - [  -0.0016665200000000, -0.0000247800000000,  0.0054865700000000 ]  - [  -0.0051552400000000,  0.0040137900000000,  0.0062158300000000 ]  - [  -0.0016815900000000, -0.0000072000000000,  0.0054956900000000 ]  - [  -0.0017030300000000, -0.0000112000000000,  0.0055501300000000 ]  - [  -0.0016863900000000, -0.0000113400000000,  0.0054912100000000 ]  - [  -0.0016873200000000,  0.0000143700000000,  0.0054920400000000 ]  - [  -0.0016907300000000, -0.0000094500000000,  0.0054904500000000 ]  - [  -0.0016704000000000, -0.0000127000000000,  0.0054345600000000 ]  - [  -0.0033773900000000,  0.0016100800000000, -0.0061989200000000 ]  - [  -0.0016713600000000,  0.0000076400000000, -0.0055035200000000 ]  - [  -0.0016856400000000,  0.0000382600000000, -0.0054913200000000 ]  - [  -0.0016846400000000,  0.0000285400000000, -0.0054921500000000 ]  - [  -0.0000958500000000,  0.0015395100000000, -0.0048373400000000 ]  - [  -0.0017005900000000,  0.0000079700000000, -0.0054789500000000 ]  - [  -0.0017090100000000, -0.0000024400000000, -0.0054352200000000 ]  - [  -0.0016881900000000,  0.0000046300000000, -0.0055034300000000 ]  - [  -0.0016853000000000,  0.0000309400000000, -0.0054923200000000 ]  - [  -0.0016858000000000,  0.0000142500000000, -0.0054917500000000 ]  - [  -0.0016614300000000, -0.0000041100000000, -0.0055468700000000 ]  - [  -0.0016821900000000,  0.0000038700000000, -0.0054830700000000 ]  - [   0.0016852900000000, -0.0000277900000000,  0.0054906800000000 ]  - [   0.0016865700000000, -0.0001597000000000,  0.0054875400000000 ]  - [   0.0017464700000000, -0.0000128500000000,  0.0054806500000000 ]  - [   0.0016804600000000,  0.0000074100000000,  0.0054884600000000 ]  - [   0.0016259200000000, -0.0000145600000000,  0.0055005000000000 ]  - [   0.0016908700000000,  0.0000073500000000,  0.0054965000000000 ]  - [   0.0016849300000000, -0.0000632700000000,  0.0054934100000000 ]  - [   0.0016845800000000, -0.0001399600000000,  0.0054919400000000 ]  - [   0.0017351100000000, -0.0000558800000000,  0.0055193400000000 ]  - [   0.0016766100000000,  0.0000670600000000,  0.0054377500000000 ]  - [   0.0016380500000000, -0.0000564200000000,  0.0054648600000000 ]  - [   0.0016923600000000,  0.0000657000000000,  0.0055454500000000 ]  - [   0.0016857400000000, -0.0004741400000000, -0.0054890100000000 ]  - [   0.0016868400000000, -0.0000304500000000, -0.0054937300000000 ]  - [   0.0018004400000000,  0.0004383900000000, -0.0053545400000000 ]  - [   0.0016846000000000, -0.0000016100000000, -0.0055056700000000 ]  - [   0.0015724100000000,  0.0004324100000000, -0.0056287600000000 ]  - [   0.0016893700000000, -0.0000009300000000, -0.0054783800000000 ]  - [   0.0016821400000000,  0.0001934800000000, -0.0054778800000000 ]  - [   0.0016844400000000,  0.0000049600000000, -0.0054906200000000 ]  - [   0.0016396600000000, -0.0000557000000000, -0.0055117800000000 ]  - [   0.0016832800000000,  0.0000179100000000, -0.0055060300000000 ]  - [   0.0017343300000000, -0.0000577500000000, -0.0054740600000000 ]  - [   0.0016897900000000,  0.0000159800000000, -0.0054787700000000 ]  - [  -0.0023365500000000, -0.0172223200000000, -0.0016546500000000 ]  - [  -0.0022539600000000,  0.0000185000000000, -0.0015181200000000 ]  - [  -0.0021892300000000,  0.0005554300000000, -0.0017106700000000 ]  - [  -0.0022800000000000, -0.0000078700000000, -0.0015068900000000 ]  - [  -0.0023121300000000,  0.0005510900000000, -0.0013379200000000 ]  - [  -0.0022321800000000, -0.0000066200000000, -0.0015276500000000 ]  - [  -0.0022534200000000,  0.0000093700000000, -0.0015182700000000 ]  - [  -0.0022556400000000,  0.0000104000000000, -0.0015159200000000 ]  - [  -0.0022625600000000, -0.0000026100000000, -0.0014814100000000 ]  - [  -0.0022472500000000, -0.0000007800000000, -0.0015214900000000 ]  - [  -0.0022422500000000,  0.0000027900000000, -0.0015597200000000 ]  - [  -0.0022620300000000,  0.0000006200000000, -0.0015159400000000 ]  - [  -0.0022504200000000,  0.0001024400000000,  0.0015173100000000 ]  - [  -0.0022576900000000,  0.0001013300000000,  0.0015253900000000 ]  - [  -0.0022809600000000, -0.0000091500000000,  0.0014382600000000 ]  - [  -0.0022626000000000, -0.0000026700000000,  0.0015271600000000 ]  - [  -0.0022232700000000, -0.0000005600000000,  0.0016008800000000 ]  - [  -0.0022536500000000, -0.0000058000000000,  0.0015151000000000 ]  - [  -0.0022562600000000, -0.0000342500000000,  0.0015180400000000 ]  - [  -0.0022584200000000, -0.0000344000000000,  0.0015191900000000 ]  - [  -0.0022691400000000,  0.0000090400000000,  0.0015286500000000 ]  - [  -0.0022404000000000,  0.0000119500000000,  0.0015201500000000 ]  - [  -0.0022381400000000,  0.0000147300000000,  0.0015113300000000 ]  - [  -0.0022729400000000,  0.0000118900000000,  0.0015202300000000 ]  - [   0.0021981300000000, -0.0001457800000000, -0.0010804000000000 ]  - [   0.0022604200000000, -0.0000193200000000, -0.0015389000000000 ]  - [   0.0022537400000000, -0.0000286600000000, -0.0015214000000000 ]  - [   0.0022555700000000,  0.0000092700000000, -0.0015194100000000 ]  - [   0.0023094500000000, -0.0001331400000000, -0.0019553000000000 ]  - [   0.0022477200000000, -0.0000160000000000, -0.0015061700000000 ]  - [   0.0023635300000000, -0.0001411900000000, -0.0013250400000000 ]  - [   0.0023350900000000, -0.0000209700000000, -0.0015371400000000 ]  - [   0.0022542100000000, -0.0000293600000000, -0.0015210800000000 ]  - [   0.0022540000000000,  0.0000115900000000, -0.0015215400000000 ]  - [   0.0021516000000000, -0.0001369200000000, -0.0017120800000000 ]  - [   0.0021789400000000, -0.0000164900000000, -0.0015035100000000 ]  - [   0.0022464300000000, -0.0000000200000000,  0.0015031600000000 ]  - [   0.0033531500000000,  0.0034374000000000,  0.0062772000000000 ]  - [   0.0022523900000000,  0.0000248500000000,  0.0015234900000000 ]  - [   0.0022548900000000,  0.0000981900000000,  0.0015183500000000 ]  - [   0.0022630300000000,  0.0000051300000000,  0.0015374900000000 ]  - [   0.0011863100000000,  0.0033163900000000, -0.0030377700000000 ]  - [   0.0022575300000000,  0.0000340400000000,  0.0015339200000000 ]  - [   0.0022610900000000,  0.0000493100000000,  0.0014031000000000 ]  - [   0.0022528900000000,  0.0000087000000000,  0.0015229800000000 ]  - [   0.0022544900000000,  0.0000524900000000,  0.0015183200000000 ]  - [   0.0022454500000000,  0.0000390400000000,  0.0015088600000000 ]  - [   0.0022466600000000,  0.0000484800000000,  0.0016345600000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0228211800000000,  0.0000000000000000,  0.0301155400000000 ]  - [   0.0087701900000000,  0.0000000000000000,  0.0115416500000000 ]  - [   0.0087993900000000, -0.0002056100000000,  0.0119362700000000 ]  - [   0.0087245200000000,  0.0000313500000000,  0.0114967600000000 ]  - [   0.0087993900000000,  0.0002056100000000,  0.0119362700000000 ]  - [   0.0087245200000000, -0.0000313500000000,  0.0114967600000000 ]  - [   0.0085182600000000,  0.0000000000000000,  0.0117700400000000 ]  - [   0.0086916800000000,  0.0000000000000000,  0.0114464900000000 ]  - [   0.0086817300000000,  0.0000303400000000,  0.0113369400000000 ]  - [   0.0087192400000000,  0.0000115200000000,  0.0114658200000000 ]  - [   0.0086817300000000, -0.0000303400000000,  0.0113369400000000 ]  - [   0.0087192400000000, -0.0000115200000000,  0.0114658200000000 ]  - [   0.0088046800000000,  0.0000000000000000, -0.0115692000000000 ]  - [   0.0235799400000000,  0.0000000000000000, -0.0083721200000000 ]  - [   0.0088037400000000, -0.0000557700000000, -0.0114109900000000 ]  - [   0.0085167300000000,  0.0000529200000000, -0.0113859000000000 ]  - [   0.0088037400000000,  0.0000557700000000, -0.0114109900000000 ]  - [   0.0085167300000000, -0.0000529200000000, -0.0113859000000000 ]  - [   0.0087592700000000,  0.0000000000000000, -0.0114654800000000 ]  - [   0.0087464400000000,  0.0000000000000000, -0.0115751500000000 ]  - [   0.0086906500000000,  0.0000119600000000, -0.0115338300000000 ]  - [   0.0087709900000000,  0.0000471300000000, -0.0115983100000000 ]  - [   0.0086906500000000, -0.0000119600000000, -0.0115338300000000 ]  - [   0.0087709900000000, -0.0000471300000000, -0.0115983100000000 ]  - [  -0.0099223000000000,  0.0008866200000000,  0.0105018700000000 ]  - [  -0.0087313400000000, -0.0000069700000000,  0.0114746800000000 ]  - [  -0.0088724100000000,  0.0000000000000000,  0.0114193400000000 ]  - [  -0.0087069300000000,  0.0000000000000000,  0.0114755000000000 ]  - [  -0.0099223000000000, -0.0008866200000000,  0.0105018700000000 ]  - [  -0.0087313400000000,  0.0000069700000000,  0.0114746800000000 ]  - [  -0.0085032100000000,  0.0001966500000000,  0.0108527600000000 ]  - [  -0.0086913000000000, -0.0000060800000000,  0.0115010800000000 ]  - [  -0.0087181100000000,  0.0000000000000000,  0.0115324400000000 ]  - [  -0.0086939500000000,  0.0000000000000000,  0.0114831300000000 ]  - [  -0.0085032100000000, -0.0001966500000000,  0.0108527600000000 ]  - [  -0.0086913000000000,  0.0000060800000000,  0.0115010800000000 ]  - [  -0.0087515900000000,  0.0000006700000000, -0.0115293300000000 ]  - [  -0.0087286400000000,  0.0002815900000000, -0.0110927300000000 ]  - [  -0.0087314300000000,  0.0000000000000000, -0.0114745300000000 ]  - [  -0.0087448900000000,  0.0000000000000000, -0.0114549200000000 ]  - [  -0.0087515900000000, -0.0000006700000000, -0.0115293300000000 ]  - [  -0.0087286400000000, -0.0002815900000000, -0.0110927300000000 ]  - [  -0.0089066000000000,  0.0000856800000000, -0.0115523200000000 ]  - [  -0.0088996500000000, -0.0004666000000000, -0.0108168500000000 ]  - [  -0.0087396200000000,  0.0000000000000000, -0.0114962400000000 ]  - [  -0.0086882700000000,  0.0000000000000000, -0.0114798000000000 ]  - [  -0.0089066000000000, -0.0000856800000000, -0.0115523200000000 ]  - [  -0.0088996500000000,  0.0004666000000000, -0.0108168500000000 ]  - [  -0.0016936200000000, -0.0000159500000000,  0.0054159300000000 ]  - [  -0.0010991500000000,  0.0005347200000000,  0.0047116700000000 ]  - [  -0.0016759200000000,  0.0000000000000000,  0.0054452400000000 ]  - [  -0.0016356700000000,  0.0000000000000000,  0.0054728200000000 ]  - [  -0.0016936200000000,  0.0000159500000000,  0.0054159300000000 ]  - [  -0.0010991500000000, -0.0005347200000000,  0.0047116700000000 ]  - [  -0.0016760100000000,  0.0000012200000000,  0.0055350800000000 ]  - [  -0.0016864400000000,  0.0000006800000000,  0.0055518400000000 ]  - [  -0.0016968000000000,  0.0000000000000000,  0.0055203900000000 ]  - [  -0.0016886700000000,  0.0000000000000000,  0.0055344000000000 ]  - [  -0.0016760100000000, -0.0000012200000000,  0.0055350800000000 ]  - [  -0.0016864400000000, -0.0000006800000000,  0.0055518400000000 ]  - [  -0.0000791600000000, -0.0023222600000000, -0.0063713300000000 ]  - [  -0.0017126400000000, -0.0000257200000000, -0.0054906100000000 ]  - [  -0.0016453300000000,  0.0000000000000000, -0.0056409800000000 ]  - [  -0.0017025500000000,  0.0000000000000000, -0.0055229900000000 ]  - [  -0.0000791600000000,  0.0023222600000000, -0.0063713300000000 ]  - [  -0.0017126400000000,  0.0000257200000000, -0.0054906100000000 ]  - [  -0.0017457100000000,  0.0000692200000000, -0.0052524500000000 ]  - [  -0.0016850100000000,  0.0000001900000000, -0.0054817700000000 ]  - [  -0.0016675600000000,  0.0000000000000000, -0.0054464800000000 ]  - [  -0.0016798700000000,  0.0000000000000000, -0.0054801600000000 ]  - [  -0.0017457100000000, -0.0000692200000000, -0.0052524500000000 ]  - [  -0.0016850100000000, -0.0000001900000000, -0.0054817700000000 ]  - [   0.0016777400000000,  0.0000000000000000,  0.0054561500000000 ]  - [   0.0021837300000000,  0.0000000000000000,  0.0058560500000000 ]  - [   0.0017105400000000,  0.0000044000000000,  0.0054573300000000 ]  - [   0.0016623100000000,  0.0000113100000000,  0.0054820300000000 ]  - [   0.0017105400000000, -0.0000044000000000,  0.0054573300000000 ]  - [   0.0016623100000000, -0.0000113100000000,  0.0054820300000000 ]  - [   0.0014836700000000,  0.0000000000000000,  0.0054224200000000 ]  - [   0.0015878100000000,  0.0000000000000000,  0.0056461800000000 ]  - [   0.0017655600000000, -0.0000753800000000,  0.0055600000000000 ]  - [   0.0016630400000000, -0.0001309200000000,  0.0056432000000000 ]  - [   0.0017655600000000,  0.0000753800000000,  0.0055600000000000 ]  - [   0.0016630400000000,  0.0001309200000000,  0.0056432000000000 ]  - [  -0.0003344700000000,  0.0000000000000000, -0.0033367400000000 ]  - [   0.0017029000000000,  0.0000000000000000, -0.0054750700000000 ]  - [   0.0019877400000000,  0.0003968500000000, -0.0051657600000000 ]  - [   0.0016806000000000,  0.0000085900000000, -0.0054839300000000 ]  - [   0.0019877400000000, -0.0003968500000000, -0.0051657600000000 ]  - [   0.0016806000000000, -0.0000085900000000, -0.0054839300000000 ]  - [   0.0012250100000000,  0.0000000000000000, -0.0043447200000000 ]  - [   0.0016757000000000,  0.0000000000000000, -0.0054914900000000 ]  - [   0.0016192800000000, -0.0000941800000000, -0.0055306300000000 ]  - [   0.0016821200000000,  0.0000003200000000, -0.0054971200000000 ]  - [   0.0016192800000000,  0.0000941800000000, -0.0055306300000000 ]  - [   0.0016821200000000, -0.0000003200000000, -0.0054971200000000 ]  - [  -0.0337008300000000,  0.0000000000000000, -0.0352069800000000 ]  - [  -0.0022257300000000,  0.0000000000000000, -0.0015707300000000 ]  - [  -0.0021131400000000,  0.0001846400000000, -0.0019770000000000 ]  - [  -0.0022645300000000, -0.0000110400000000, -0.0015463600000000 ]  - [  -0.0021131400000000, -0.0001846400000000, -0.0019770000000000 ]  - [  -0.0022645300000000,  0.0000110400000000, -0.0015463600000000 ]  - [  -0.0022671600000000,  0.0000000000000000, -0.0012940300000000 ]  - [  -0.0022701100000000,  0.0000000000000000, -0.0015003400000000 ]  - [  -0.0022869300000000, -0.0000420600000000, -0.0014262100000000 ]  - [  -0.0022598600000000,  0.0000014400000000, -0.0015059500000000 ]  - [  -0.0022869300000000,  0.0000420600000000, -0.0014262100000000 ]  - [  -0.0022598600000000, -0.0000014400000000, -0.0015059500000000 ]  - [  -0.0012834000000000,  0.0000000000000000,  0.0010410200000000 ]  - [  -0.0026899400000000,  0.0000000000000000,  0.0010424500000000 ]  - [  -0.0022913200000000,  0.0000004500000000,  0.0014401200000000 ]  - [  -0.0023286400000000, -0.0000774800000000,  0.0014407900000000 ]  - [  -0.0022913200000000, -0.0000004500000000,  0.0014401200000000 ]  - [  -0.0023286400000000,  0.0000774800000000,  0.0014407900000000 ]  - [  -0.0022815700000000,  0.0000000000000000,  0.0015849300000000 ]  - [  -0.0022077700000000,  0.0000000000000000,  0.0015882800000000 ]  - [  -0.0022778600000000, -0.0000026100000000,  0.0015628300000000 ]  - [  -0.0022406200000000,  0.0000094700000000,  0.0015625800000000 ]  - [  -0.0022778600000000,  0.0000026100000000,  0.0015628300000000 ]  - [  -0.0022406200000000, -0.0000094700000000,  0.0015625800000000 ]  - [   0.0021598000000000, -0.0002002900000000, -0.0011257000000000 ]  - [   0.0022757400000000,  0.0000161400000000, -0.0015084400000000 ]  - [   0.0022251000000000,  0.0000000000000000, -0.0015192500000000 ]  - [   0.0022795700000000,  0.0000000000000000, -0.0015178900000000 ]  - [   0.0021598000000000,  0.0002002900000000, -0.0011257000000000 ]  - [   0.0022757400000000, -0.0000161400000000, -0.0015084400000000 ]  - [   0.0026513500000000, -0.0004383000000000, -0.0011230600000000 ]  - [   0.0021247300000000,  0.0000136200000000, -0.0015099500000000 ]  - [   0.0022477500000000,  0.0000000000000000, -0.0015202500000000 ]  - [   0.0022458300000000,  0.0000000000000000, -0.0015216600000000 ]  - [   0.0026513500000000,  0.0004383000000000, -0.0011230600000000 ]  - [   0.0021247300000000, -0.0000136200000000, -0.0015099500000000 ]  - [   0.0022568600000000, -0.0000204200000000,  0.0014922400000000 ]  - [   0.0033369900000000,  0.0047723100000000,  0.0065897400000000 ]  - [   0.0022372500000000,  0.0000000000000000,  0.0015381100000000 ]  - [   0.0023992300000000,  0.0000000000000000,  0.0015047800000000 ]  - [   0.0022568600000000,  0.0000204200000000,  0.0014922400000000 ]  - [   0.0033369900000000, -0.0047723100000000,  0.0065897400000000 ]  - [   0.0022550200000000,  0.0000114500000000,  0.0015681300000000 ]  - [   0.0021317300000000, -0.0001136400000000,  0.0017319800000000 ]  - [   0.0022407400000000,  0.0000000000000000,  0.0015405500000000 ]  - [   0.0022551000000000,  0.0000000000000000,  0.0015089900000000 ]  - [   0.0022550200000000, -0.0000114500000000,  0.0015681300000000 ]  - [   0.0021317300000000,  0.0001136400000000,  0.0017319800000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0061486800000000,  0.0000000000000000, -0.0079143200000000 ]  - [   0.0086515000000000,  0.0000000000000000,  0.0113930800000000 ]  - [   0.0086187000000000,  0.0002006100000000,  0.0110199300000000 ]  - [   0.0086965100000000, -0.0000258300000000,  0.0114535700000000 ]  - [   0.0086187000000000, -0.0002006100000000,  0.0110199300000000 ]  - [   0.0086965100000000,  0.0000258300000000,  0.0114535700000000 ]  - [   0.0088979800000000,  0.0000000000000000,  0.0111882100000000 ]  - [   0.0087298400000000,  0.0000000000000000,  0.0115017600000000 ]  - [   0.0087409100000000, -0.0000327300000000,  0.0116129500000000 ]  - [   0.0087013800000000, -0.0000082000000000,  0.0114845000000000 ]  - [   0.0087409100000000,  0.0000327300000000,  0.0116129500000000 ]  - [   0.0087013800000000,  0.0000082000000000,  0.0114845000000000 ]  - [   0.0086130500000000,  0.0000000000000000, -0.0113707400000000 ]  - [  -0.0060569500000000,  0.0000000000000000, -0.0147103200000000 ]  - [   0.0086200300000000,  0.0000455500000000, -0.0115380900000000 ]  - [   0.0088997400000000, -0.0000523900000000, -0.0115713000000000 ]  - [   0.0086200300000000, -0.0000455500000000, -0.0115380900000000 ]  - [   0.0088997400000000,  0.0000523900000000, -0.0115713000000000 ]  - [   0.0086613500000000,  0.0000000000000000, -0.0114921800000000 ]  - [   0.0086750900000000,  0.0000000000000000, -0.0113821000000000 ]  - [   0.0087300500000000, -0.0000177800000000, -0.0114181400000000 ]  - [   0.0086474900000000, -0.0000511300000000, -0.0113512200000000 ]  - [   0.0087300500000000,  0.0000177800000000, -0.0114181400000000 ]  - [   0.0086474900000000,  0.0000511300000000, -0.0113512200000000 ]  - [  -0.0074842800000000, -0.0008961500000000,  0.0124316500000000 ]  - [  -0.0086879500000000,  0.0000064600000000,  0.0114834000000000 ]  - [  -0.0085511500000000,  0.0000000000000000,  0.0115347700000000 ]  - [  -0.0087115200000000,  0.0000000000000000,  0.0114769800000000 ]  - [  -0.0074842800000000,  0.0008961500000000,  0.0124316500000000 ]  - [  -0.0086879500000000, -0.0000064600000000,  0.0114834000000000 ]  - [  -0.0089146700000000, -0.0001994600000000,  0.0120862000000000 ]  - [  -0.0087259200000000, -0.0000054700000000,  0.0114620800000000 ]  - [  -0.0087014800000000,  0.0000000000000000,  0.0114219100000000 ]  - [  -0.0087242700000000,  0.0000000000000000,  0.0114697200000000 ]  - [  -0.0089146700000000,  0.0001994600000000,  0.0120862000000000 ]  - [  -0.0087259200000000,  0.0000054700000000,  0.0114620800000000 ]  - [  -0.0086655700000000, -0.0000148000000000, -0.0114262000000000 ]  - [  -0.0086843500000000, -0.0002760700000000, -0.0118438800000000 ]  - [  -0.0086895200000000,  0.0000000000000000, -0.0114788900000000 ]  - [  -0.0086752400000000,  0.0000000000000000, -0.0114922800000000 ]  - [  -0.0086655700000000,  0.0000148000000000, -0.0114262000000000 ]  - [  -0.0086843500000000,  0.0002760700000000, -0.0118438800000000 ]  - [  -0.0085155600000000, -0.0000812900000000, -0.0114017400000000 ]  - [  -0.0085183200000000,  0.0004717100000000, -0.0121327600000000 ]  - [  -0.0086814200000000,  0.0000000000000000, -0.0114661000000000 ]  - [  -0.0087305200000000,  0.0000000000000000, -0.0114712700000000 ]  - [  -0.0085155600000000,  0.0000812900000000, -0.0114017400000000 ]  - [  -0.0085183200000000, -0.0004717100000000, -0.0121327600000000 ]  - [  -0.0016816900000000,  0.0000167800000000,  0.0055671300000000 ]  - [  -0.0022869300000000, -0.0005596600000000,  0.0062794000000000 ]  - [  -0.0017003600000000,  0.0000000000000000,  0.0055387400000000 ]  - [  -0.0017408300000000,  0.0000000000000000,  0.0055109400000000 ]  - [  -0.0016816900000000, -0.0000167800000000,  0.0055671300000000 ]  - [  -0.0022869300000000,  0.0005596600000000,  0.0062794000000000 ]  - [  -0.0017003700000000, -0.0000004300000000,  0.0054508400000000 ]  - [  -0.0016903600000000,  0.0000001000000000,  0.0054315400000000 ]  - [  -0.0016796200000000,  0.0000000000000000,  0.0054620600000000 ]  - [  -0.0016900500000000,  0.0000000000000000,  0.0054499100000000 ]  - [  -0.0017003700000000,  0.0000004300000000,  0.0054508400000000 ]  - [  -0.0016903600000000, -0.0000001000000000,  0.0054315400000000 ]  - [  -0.0033117200000000,  0.0023442100000000, -0.0046124400000000 ]  - [  -0.0016614800000000,  0.0000256300000000, -0.0054923900000000 ]  - [  -0.0017298000000000,  0.0000000000000000, -0.0053444300000000 ]  - [  -0.0016713100000000,  0.0000000000000000, -0.0054620600000000 ]  - [  -0.0033117200000000, -0.0023442100000000, -0.0046124400000000 ]  - [  -0.0016614800000000, -0.0000256300000000, -0.0054923900000000 ]  - [  -0.0016298300000000, -0.0000684500000000, -0.0057286800000000 ]  - [  -0.0016887600000000, -0.0000000400000000, -0.0055027500000000 ]  - [  -0.0017060200000000,  0.0000000000000000, -0.0055359900000000 ]  - [  -0.0016951000000000,  0.0000000000000000, -0.0055022700000000 ]  - [  -0.0016298300000000,  0.0000684500000000, -0.0057286800000000 ]  - [  -0.0016887600000000,  0.0000000400000000, -0.0055027500000000 ]  - [   0.0016966300000000,  0.0000000000000000,  0.0055263000000000 ]  - [   0.0011859700000000,  0.0000000000000000,  0.0051322800000000 ]  - [   0.0016662200000000, -0.0000029100000000,  0.0055259800000000 ]  - [   0.0017116800000000, -0.0000119900000000,  0.0055031500000000 ]  - [   0.0016662200000000,  0.0000029100000000,  0.0055259800000000 ]  - [   0.0017116800000000,  0.0000119900000000,  0.0055031500000000 ]  - [   0.0018924600000000,  0.0000000000000000,  0.0055629800000000 ]  - [   0.0017877800000000,  0.0000000000000000,  0.0053339400000000 ]  - [   0.0016105800000000,  0.0000753200000000,  0.0054215400000000 ]  - [   0.0017134900000000,  0.0001345100000000,  0.0053377700000000 ]  - [   0.0016105800000000, -0.0000753200000000,  0.0054215400000000 ]  - [   0.0017134900000000, -0.0001345100000000,  0.0053377700000000 ]  - [   0.0035544600000000,  0.0000000000000000, -0.0074941300000000 ]  - [   0.0016749500000000,  0.0000000000000000, -0.0055107700000000 ]  - [   0.0013907700000000, -0.0003937100000000, -0.0058142300000000 ]  - [   0.0016974800000000, -0.0000087600000000, -0.0055007000000000 ]  - [   0.0013907700000000,  0.0003937100000000, -0.0058142300000000 ]  - [   0.0016974800000000,  0.0000087600000000, -0.0055007000000000 ]  - [   0.0021445500000000,  0.0000000000000000, -0.0066072600000000 ]  - [   0.0017007000000000,  0.0000000000000000, -0.0054911000000000 ]  - [   0.0017582700000000,  0.0000947800000000, -0.0054542400000000 ]  - [   0.0016951200000000, -0.0000001100000000, -0.0054880000000000 ]  - [   0.0017582700000000, -0.0000947800000000, -0.0054542400000000 ]  - [   0.0016951200000000,  0.0000001100000000, -0.0054880000000000 ]  - [   0.0298675800000000,  0.0000000000000000,  0.0324696500000000 ]  - [  -0.0022767500000000,  0.0000000000000000, -0.0014581400000000 ]  - [  -0.0023879000000000, -0.0001859700000000, -0.0010578100000000 ]  - [  -0.0022414500000000,  0.0000100900000000, -0.0014825400000000 ]  - [  -0.0023879000000000,  0.0001859700000000, -0.0010578100000000 ]  - [  -0.0022414500000000, -0.0000100900000000, -0.0014825400000000 ]  - [  -0.0022379800000000,  0.0000000000000000, -0.0017344400000000 ]  - [  -0.0022334000000000,  0.0000000000000000, -0.0015260300000000 ]  - [  -0.0022154400000000,  0.0000394600000000, -0.0016051100000000 ]  - [  -0.0022439100000000, -0.0000014200000000, -0.0015240600000000 ]  - [  -0.0022154400000000, -0.0000394600000000, -0.0016051100000000 ]  - [  -0.0022439100000000,  0.0000014200000000, -0.0015240600000000 ]  - [  -0.0032110700000000,  0.0000000000000000,  0.0019900700000000 ]  - [  -0.0018158200000000,  0.0000000000000000,  0.0019902300000000 ]  - [  -0.0022087200000000, -0.0000069300000000,  0.0015897400000000 ]  - [  -0.0021772100000000,  0.0000802100000000,  0.0015898600000000 ]  - [  -0.0022087200000000,  0.0000069300000000,  0.0015897400000000 ]  - [  -0.0021772100000000, -0.0000802100000000,  0.0015898600000000 ]  - [  -0.0022239200000000,  0.0000000000000000,  0.0014442500000000 ]  - [  -0.0022984300000000,  0.0000000000000000,  0.0014442300000000 ]  - [  -0.0022244400000000, -0.0000000600000000,  0.0014696300000000 ]  - [  -0.0022632300000000, -0.0000091100000000,  0.0014692200000000 ]  - [  -0.0022244400000000,  0.0000000600000000,  0.0014696300000000 ]  - [  -0.0022632300000000,  0.0000091100000000,  0.0014692200000000 ]  - [   0.0023435800000000,  0.0001927700000000, -0.0019050000000000 ]  - [   0.0022304700000000, -0.0000166900000000, -0.0015238700000000 ]  - [   0.0022793400000000,  0.0000000000000000, -0.0015127500000000 ]  - [   0.0022274100000000,  0.0000000000000000, -0.0015108300000000 ]  - [   0.0023435800000000, -0.0001927700000000, -0.0019050000000000 ]  - [   0.0022304700000000,  0.0000166900000000, -0.0015238700000000 ]  - [   0.0018579900000000,  0.0004361200000000, -0.0019038400000000 ]  - [   0.0023840800000000, -0.0000157000000000, -0.0015234800000000 ]  - [   0.0022548200000000,  0.0000000000000000, -0.0015121800000000 ]  - [   0.0022583000000000,  0.0000000000000000, -0.0015108700000000 ]  - [   0.0018579900000000, -0.0004361200000000, -0.0019038400000000 ]  - [   0.0023840800000000,  0.0000157000000000, -0.0015234800000000 ]  - [   0.0022476800000000,  0.0000162100000000,  0.0015391800000000 ]  - [   0.0012037100000000, -0.0045415300000000, -0.0033550500000000 ]  - [   0.0022636400000000,  0.0000000000000000,  0.0014972100000000 ]  - [   0.0021068800000000,  0.0000000000000000,  0.0015249300000000 ]  - [   0.0022476800000000, -0.0000162100000000,  0.0015391800000000 ]  - [   0.0012037100000000,  0.0045415300000000, -0.0033550500000000 ]  - [   0.0022462100000000, -0.0000132200000000,  0.0014643500000000 ]  - [   0.0023691000000000,  0.0001155100000000,  0.0012905000000000 ]  - [   0.0022641200000000,  0.0000000000000000,  0.0014938900000000 ]  - [   0.0022505000000000,  0.0000000000000000,  0.0015202500000000 ]  - [   0.0022462100000000,  0.0000132200000000,  0.0014643500000000 ]  - [   0.0023691000000000, -0.0001155100000000,  0.0012905000000000 ]