# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c1aa88a1-7ef4-4656-a9b1-1d1a39b4833e/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 NaLiTe / Pnma (62) / materials id 8754](https://mdr.nims.go.jp/datasets/08098d00-d4a6-4e3d-9a32-4dd9e145485e)

## 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:  - [     7.625358170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.570806750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.234760820000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.643593410000000,  0.250000000000000,  0.071318480000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.143593410000000,  0.250000000000000,  0.428681520000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.356406590000000,  0.750000000000000,  0.928681520000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.856406590000000,  0.750000000000000,  0.571318480000000 ]    mass: 6.941000  - symbol: Na # 5    coordinates: [  0.486445480000000,  0.750000000000000,  0.314200670000000 ]    mass: 22.989769  - symbol: Na # 6    coordinates: [  0.013554520000000,  0.250000000000000,  0.814200670000000 ]    mass: 22.989769  - symbol: Na # 7    coordinates: [  0.986445480000000,  0.750000000000000,  0.185799330000000 ]    mass: 22.989769  - symbol: Na # 8    coordinates: [  0.513554520000000,  0.250000000000000,  0.685799330000000 ]    mass: 22.989769  - symbol: Te # 9    coordinates: [  0.775654440000000,  0.250000000000000,  0.392485730000000 ]    mass: 127.600000  - symbol: Te # 10    coordinates: [  0.275654440000000,  0.250000000000000,  0.107514270000000 ]    mass: 127.600000  - symbol: Te # 11    coordinates: [  0.724345560000000,  0.750000000000000,  0.892485730000000 ]    mass: 127.600000  - symbol: Te # 12    coordinates: [  0.224345560000000,  0.750000000000000,  0.607514270000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.131141380864474,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.218779759174898,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.121436435357208 ] # c*unit_cell:  lattice:  - [     7.625358170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.570806750000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.234760820000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.643593410000000,  0.250000000000000,  0.071318480000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.143593410000000,  0.250000000000000,  0.428681520000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.356406590000000,  0.750000000000000,  0.928681520000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.856406590000000,  0.750000000000000,  0.571318480000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.486445480000000,  0.750000000000000,  0.314200670000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 6    coordinates: [  0.013554520000000,  0.250000000000000,  0.814200670000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 7    coordinates: [  0.986445480000000,  0.750000000000000,  0.185799330000000 ]    mass: 22.989769    reduced_to: 7  - symbol: Na # 8    coordinates: [  0.513554520000000,  0.250000000000000,  0.685799330000000 ]    mass: 22.989769    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.775654440000000,  0.250000000000000,  0.392485730000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.275654440000000,  0.250000000000000,  0.107514270000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.724345560000000,  0.750000000000000,  0.892485730000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 12    coordinates: [  0.224345560000000,  0.750000000000000,  0.607514270000000 ]    mass: 127.600000    reduced_to: 12supercell:  lattice:  - [    15.250716340000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.712420250000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.469521640000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.321796705000000,  0.083333333333333,  0.035659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.821796705000000,  0.083333333333333,  0.035659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.321796705000000,  0.416666666666667,  0.035659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.821796705000000,  0.416666666666667,  0.035659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.321796705000000,  0.750000000000000,  0.035659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.821796705000000,  0.750000000000000,  0.035659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.321796705000000,  0.083333333333333,  0.535659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.821796705000000,  0.083333333333333,  0.535659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.321796705000000,  0.416666666666667,  0.535659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.821796705000000,  0.416666666666667,  0.535659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.321796705000000,  0.750000000000000,  0.535659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.821796705000000,  0.750000000000000,  0.535659240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 13    coordinates: [  0.071796705000000,  0.083333333333333,  0.214340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.571796705000000,  0.083333333333333,  0.214340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 15    coordinates: [  0.071796705000000,  0.416666666666667,  0.214340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 16    coordinates: [  0.571796705000000,  0.416666666666667,  0.214340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 17    coordinates: [  0.071796705000000,  0.750000000000000,  0.214340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 18    coordinates: [  0.571796705000000,  0.750000000000000,  0.214340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 19    coordinates: [  0.071796705000000,  0.083333333333333,  0.714340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 20    coordinates: [  0.571796705000000,  0.083333333333333,  0.714340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 21    coordinates: [  0.071796705000000,  0.416666666666667,  0.714340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 22    coordinates: [  0.571796705000000,  0.416666666666667,  0.714340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 23    coordinates: [  0.071796705000000,  0.750000000000000,  0.714340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 24    coordinates: [  0.571796705000000,  0.750000000000000,  0.714340760000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 25    coordinates: [  0.178203295000000,  0.250000000000000,  0.464340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 26    coordinates: [  0.678203295000000,  0.250000000000000,  0.464340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 27    coordinates: [  0.178203295000000,  0.583333333333333,  0.464340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 28    coordinates: [  0.678203295000000,  0.583333333333333,  0.464340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 29    coordinates: [  0.178203295000000,  0.916666666666667,  0.464340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 30    coordinates: [  0.678203295000000,  0.916666666666667,  0.464340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 31    coordinates: [  0.178203295000000,  0.250000000000000,  0.964340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 32    coordinates: [  0.678203295000000,  0.250000000000000,  0.964340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 33    coordinates: [  0.178203295000000,  0.583333333333333,  0.964340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 34    coordinates: [  0.678203295000000,  0.583333333333333,  0.964340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 35    coordinates: [  0.178203295000000,  0.916666666666667,  0.964340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 36    coordinates: [  0.678203295000000,  0.916666666666667,  0.964340760000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 37    coordinates: [  0.428203295000000,  0.250000000000000,  0.285659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.928203295000000,  0.250000000000000,  0.285659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 39    coordinates: [  0.428203295000000,  0.583333333333333,  0.285659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.928203295000000,  0.583333333333333,  0.285659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 41    coordinates: [  0.428203295000000,  0.916666666666667,  0.285659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 42    coordinates: [  0.928203295000000,  0.916666666666667,  0.285659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 43    coordinates: [  0.428203295000000,  0.250000000000000,  0.785659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 44    coordinates: [  0.928203295000000,  0.250000000000000,  0.785659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 45    coordinates: [  0.428203295000000,  0.583333333333333,  0.785659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 46    coordinates: [  0.928203295000000,  0.583333333333333,  0.785659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 47    coordinates: [  0.428203295000000,  0.916666666666667,  0.785659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 48    coordinates: [  0.928203295000000,  0.916666666666667,  0.785659240000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Na # 49    coordinates: [  0.243222740000000,  0.250000000000000,  0.157100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.743222740000000,  0.250000000000000,  0.157100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 51    coordinates: [  0.243222740000000,  0.583333333333333,  0.157100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 52    coordinates: [  0.743222740000000,  0.583333333333333,  0.157100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 53    coordinates: [  0.243222740000000,  0.916666666666667,  0.157100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 54    coordinates: [  0.743222740000000,  0.916666666666667,  0.157100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 55    coordinates: [  0.243222740000000,  0.250000000000000,  0.657100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 56    coordinates: [  0.743222740000000,  0.250000000000000,  0.657100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 57    coordinates: [  0.243222740000000,  0.583333333333333,  0.657100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 58    coordinates: [  0.743222740000000,  0.583333333333333,  0.657100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 59    coordinates: [  0.243222740000000,  0.916666666666667,  0.657100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 60    coordinates: [  0.743222740000000,  0.916666666666667,  0.657100335000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 61    coordinates: [  0.006777260000000,  0.083333333333333,  0.407100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 62    coordinates: [  0.506777260000000,  0.083333333333333,  0.407100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 63    coordinates: [  0.006777260000000,  0.416666666666667,  0.407100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 64    coordinates: [  0.506777260000000,  0.416666666666667,  0.407100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 65    coordinates: [  0.006777260000000,  0.750000000000000,  0.407100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 66    coordinates: [  0.506777260000000,  0.750000000000000,  0.407100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 67    coordinates: [  0.006777260000000,  0.083333333333333,  0.907100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 68    coordinates: [  0.506777260000000,  0.083333333333333,  0.907100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 69    coordinates: [  0.006777260000000,  0.416666666666667,  0.907100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 70    coordinates: [  0.506777260000000,  0.416666666666667,  0.907100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 71    coordinates: [  0.006777260000000,  0.750000000000000,  0.907100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 72    coordinates: [  0.506777260000000,  0.750000000000000,  0.907100335000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 73    coordinates: [  0.493222740000000,  0.250000000000000,  0.092899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 74    coordinates: [  0.993222740000000,  0.250000000000000,  0.092899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 75    coordinates: [  0.493222740000000,  0.583333333333333,  0.092899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 76    coordinates: [  0.993222740000000,  0.583333333333333,  0.092899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 77    coordinates: [  0.493222740000000,  0.916666666666667,  0.092899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 78    coordinates: [  0.993222740000000,  0.916666666666667,  0.092899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 79    coordinates: [  0.493222740000000,  0.250000000000000,  0.592899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 80    coordinates: [  0.993222740000000,  0.250000000000000,  0.592899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 81    coordinates: [  0.493222740000000,  0.583333333333333,  0.592899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 82    coordinates: [  0.993222740000000,  0.583333333333333,  0.592899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 83    coordinates: [  0.493222740000000,  0.916666666666667,  0.592899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 84    coordinates: [  0.993222740000000,  0.916666666666667,  0.592899665000000 ]    mass: 22.989769    reduced_to: 73  - symbol: Na # 85    coordinates: [  0.256777260000000,  0.083333333333333,  0.342899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 86    coordinates: [  0.756777260000000,  0.083333333333333,  0.342899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 87    coordinates: [  0.256777260000000,  0.416666666666667,  0.342899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 88    coordinates: [  0.756777260000000,  0.416666666666667,  0.342899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 89    coordinates: [  0.256777260000000,  0.750000000000000,  0.342899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 90    coordinates: [  0.756777260000000,  0.750000000000000,  0.342899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 91    coordinates: [  0.256777260000000,  0.083333333333333,  0.842899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 92    coordinates: [  0.756777260000000,  0.083333333333333,  0.842899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 93    coordinates: [  0.256777260000000,  0.416666666666667,  0.842899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 94    coordinates: [  0.756777260000000,  0.416666666666667,  0.842899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 95    coordinates: [  0.256777260000000,  0.750000000000000,  0.842899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Na # 96    coordinates: [  0.756777260000000,  0.750000000000000,  0.842899665000000 ]    mass: 22.989769    reduced_to: 85  - symbol: Te # 97    coordinates: [  0.387827220000000,  0.083333333333333,  0.196242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 98    coordinates: [  0.887827220000000,  0.083333333333333,  0.196242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 99    coordinates: [  0.387827220000000,  0.416666666666667,  0.196242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 100    coordinates: [  0.887827220000000,  0.416666666666667,  0.196242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 101    coordinates: [  0.387827220000000,  0.750000000000000,  0.196242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 102    coordinates: [  0.887827220000000,  0.750000000000000,  0.196242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 103    coordinates: [  0.387827220000000,  0.083333333333333,  0.696242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 104    coordinates: [  0.887827220000000,  0.083333333333333,  0.696242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 105    coordinates: [  0.387827220000000,  0.416666666666667,  0.696242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 106    coordinates: [  0.887827220000000,  0.416666666666667,  0.696242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 107    coordinates: [  0.387827220000000,  0.750000000000000,  0.696242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 108    coordinates: [  0.887827220000000,  0.750000000000000,  0.696242865000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 109    coordinates: [  0.137827220000000,  0.083333333333333,  0.053757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 110    coordinates: [  0.637827220000000,  0.083333333333333,  0.053757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 111    coordinates: [  0.137827220000000,  0.416666666666667,  0.053757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 112    coordinates: [  0.637827220000000,  0.416666666666667,  0.053757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 113    coordinates: [  0.137827220000000,  0.750000000000000,  0.053757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 114    coordinates: [  0.637827220000000,  0.750000000000000,  0.053757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 115    coordinates: [  0.137827220000000,  0.083333333333333,  0.553757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 116    coordinates: [  0.637827220000000,  0.083333333333333,  0.553757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 117    coordinates: [  0.137827220000000,  0.416666666666667,  0.553757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 118    coordinates: [  0.637827220000000,  0.416666666666667,  0.553757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 119    coordinates: [  0.137827220000000,  0.750000000000000,  0.553757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 120    coordinates: [  0.637827220000000,  0.750000000000000,  0.553757135000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 121    coordinates: [  0.362172780000000,  0.250000000000000,  0.446242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 122    coordinates: [  0.862172780000000,  0.250000000000000,  0.446242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 123    coordinates: [  0.362172780000000,  0.583333333333333,  0.446242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 124    coordinates: [  0.862172780000000,  0.583333333333333,  0.446242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 125    coordinates: [  0.362172780000000,  0.916666666666667,  0.446242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 126    coordinates: [  0.862172780000000,  0.916666666666667,  0.446242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 127    coordinates: [  0.362172780000000,  0.250000000000000,  0.946242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 128    coordinates: [  0.862172780000000,  0.250000000000000,  0.946242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 129    coordinates: [  0.362172780000000,  0.583333333333333,  0.946242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 130    coordinates: [  0.862172780000000,  0.583333333333333,  0.946242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 131    coordinates: [  0.362172780000000,  0.916666666666667,  0.946242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 132    coordinates: [  0.862172780000000,  0.916666666666667,  0.946242865000000 ]    mass: 127.600000    reduced_to: 121  - symbol: Te # 133    coordinates: [  0.112172780000000,  0.250000000000000,  0.303757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 134    coordinates: [  0.612172780000000,  0.250000000000000,  0.303757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 135    coordinates: [  0.112172780000000,  0.583333333333333,  0.303757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 136    coordinates: [  0.612172780000000,  0.583333333333333,  0.303757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 137    coordinates: [  0.112172780000000,  0.916666666666667,  0.303757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 138    coordinates: [  0.612172780000000,  0.916666666666667,  0.303757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 139    coordinates: [  0.112172780000000,  0.250000000000000,  0.803757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 140    coordinates: [  0.612172780000000,  0.250000000000000,  0.803757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 141    coordinates: [  0.112172780000000,  0.583333333333333,  0.803757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 142    coordinates: [  0.612172780000000,  0.583333333333333,  0.803757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 143    coordinates: [  0.112172780000000,  0.916666666666667,  0.803757135000000 ]    mass: 127.600000    reduced_to: 133  - symbol: Te # 144    coordinates: [  0.612172780000000,  0.916666666666667,  0.803757135000000 ]    mass: 127.600000    reduced_to: 133born_effective_charge:- # 1 (Li)  - [  0.877174270000000,  0.000000000000000,  0.078131670000000 ]  - [  0.000000000000000,  0.993144030000000,  0.000000000000000 ]  - [  0.030351710000000,  0.000000000000000,  0.977044440000000 ]- # 2 (Li)  - [  0.877174270000000,  0.000000000000000, -0.078131670000000 ]  - [  0.000000000000000,  0.993144030000000,  0.000000000000000 ]  - [ -0.030351710000000,  0.000000000000000,  0.977044440000000 ]- # 3 (Li)  - [  0.877174270000000,  0.000000000000000,  0.078131670000000 ]  - [  0.000000000000000,  0.993144030000000,  0.000000000000000 ]  - [  0.030351710000000,  0.000000000000000,  0.977044440000000 ]- # 4 (Li)  - [  0.877174270000000,  0.000000000000000, -0.078131670000000 ]  - [  0.000000000000000,  0.993144030000000,  0.000000000000000 ]  - [ -0.030351710000000,  0.000000000000000,  0.977044440000000 ]- # 5 (Na)  - [  1.232377950000000,  0.000000000000000,  0.000721050000000 ]  - [  0.000000000000000,  1.297212900000000,  0.000000000000000 ]  - [  0.055903700000000,  0.000000000000000,  1.162355840000000 ]- # 6 (Na)  - [  1.232377950000000,  0.000000000000000, -0.000721050000000 ]  - [  0.000000000000000,  1.297212900000000,  0.000000000000000 ]  - [ -0.055903700000000,  0.000000000000000,  1.162355840000000 ]- # 7 (Na)  - [  1.232377950000000,  0.000000000000000, -0.000721050000000 ]  - [  0.000000000000000,  1.297212900000000,  0.000000000000000 ]  - [ -0.055903700000000,  0.000000000000000,  1.162355840000000 ]- # 8 (Na)  - [  1.232377950000000,  0.000000000000000,  0.000721050000000 ]  - [  0.000000000000000,  1.297212900000000,  0.000000000000000 ]  - [  0.055903700000000,  0.000000000000000,  1.162355840000000 ]- # 9 (Te)  - [ -2.109552220000000,  0.000000000000000, -0.122408320000000 ]  - [  0.000000000000000, -2.290356920000000,  0.000000000000000 ]  - [ -0.174205600000000,  0.000000000000000, -2.139400270000000 ]- # 10 (Te)  - [ -2.109552220000000,  0.000000000000000,  0.122408320000000 ]  - [  0.000000000000000, -2.290356920000000,  0.000000000000000 ]  - [  0.174205600000000,  0.000000000000000, -2.139400270000000 ]- # 11 (Te)  - [ -2.109552220000000,  0.000000000000000,  0.122408320000000 ]  - [  0.000000000000000, -2.290356920000000,  0.000000000000000 ]  - [  0.174205600000000,  0.000000000000000, -2.139400270000000 ]- # 12 (Te)  - [ -2.109552220000000,  0.000000000000000, -0.122408320000000 ]  - [  0.000000000000000, -2.290356920000000,  0.000000000000000 ]  - [ -0.174205600000000,  0.000000000000000, -2.139400270000000 ]dielectric_constant:  - [  5.670374500000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.960987220000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.653219070000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0144310200000000,  0.0000000000000000, -0.0107806600000000 ]  - [   0.0045469000000000,  0.0000000000000000, -0.0117025400000000 ]  - [   0.0040044800000000,  0.0001495500000000, -0.0114382900000000 ]  - [   0.0041635400000000, -0.0000471300000000, -0.0117471600000000 ]  - [   0.0040044800000000, -0.0001495500000000, -0.0114382900000000 ]  - [   0.0041635400000000,  0.0000471300000000, -0.0117471600000000 ]  - [   0.0040438000000000,  0.0000000000000000, -0.0116875300000000 ]  - [   0.0041470700000000,  0.0000000000000000, -0.0117184200000000 ]  - [   0.0040317500000000,  0.0000477400000000, -0.0117190200000000 ]  - [   0.0041474000000000, -0.0000118900000000, -0.0117116000000000 ]  - [   0.0040317500000000, -0.0000477400000000, -0.0117190200000000 ]  - [   0.0041474000000000,  0.0000118900000000, -0.0117116000000000 ]  - [   0.0043950600000000,  0.0000000000000000,  0.0106701800000000 ]  - [   0.0043960900000000,  0.0000000000000000,  0.0119371000000000 ]  - [   0.0041447700000000, -0.0000558000000000,  0.0117032100000000 ]  - [   0.0041453700000000,  0.0000151200000000,  0.0117064300000000 ]  - [   0.0041447700000000,  0.0000558000000000,  0.0117032100000000 ]  - [   0.0041453700000000, -0.0000151200000000,  0.0117064300000000 ]  - [   0.0041487700000000,  0.0000000000000000,  0.0117493800000000 ]  - [   0.0041491200000000,  0.0000000000000000,  0.0117109500000000 ]  - [   0.0041437500000000, -0.0000551200000000,  0.0117284200000000 ]  - [   0.0041429000000000, -0.0000033100000000,  0.0117194400000000 ]  - [   0.0041437500000000,  0.0000551200000000,  0.0117284200000000 ]  - [   0.0041429000000000,  0.0000033100000000,  0.0117194400000000 ]  - [  -0.0042452500000000,  0.0000161900000000,  0.0116309800000000 ]  - [  -0.0040688200000000, -0.0000050800000000,  0.0117325300000000 ]  - [  -0.0041634500000000,  0.0000000000000000,  0.0116967300000000 ]  - [  -0.0040895100000000,  0.0000000000000000,  0.0117166500000000 ]  - [  -0.0042452500000000, -0.0000161900000000,  0.0116309800000000 ]  - [  -0.0040688200000000,  0.0000050800000000,  0.0117325300000000 ]  - [  -0.0043104500000000, -0.0014289900000000,  0.0126226200000000 ]  - [  -0.0039806200000000,  0.0001315700000000,  0.0116128400000000 ]  - [  -0.0042448600000000,  0.0000000000000000,  0.0118599300000000 ]  - [  -0.0040751400000000,  0.0000000000000000,  0.0116962200000000 ]  - [  -0.0043104500000000,  0.0014289900000000,  0.0126226200000000 ]  - [  -0.0039806200000000, -0.0001315700000000,  0.0116128400000000 ]  - [  -0.0038811600000000,  0.0003316700000000, -0.0115983200000000 ]  - [  -0.0041158000000000, -0.0000863100000000, -0.0117727600000000 ]  - [  -0.0040685500000000,  0.0000000000000000, -0.0116696000000000 ]  - [  -0.0041238400000000,  0.0000000000000000, -0.0117426100000000 ]  - [  -0.0038811600000000, -0.0003316700000000, -0.0115983200000000 ]  - [  -0.0041158000000000,  0.0000863100000000, -0.0117727600000000 ]  - [  -0.0038815800000000,  0.0000346100000000, -0.0118043800000000 ]  - [  -0.0041164900000000,  0.0000009100000000, -0.0116607300000000 ]  - [  -0.0040687000000000,  0.0000000000000000, -0.0117128300000000 ]  - [  -0.0041243900000000,  0.0000000000000000, -0.0117075100000000 ]  - [  -0.0038815800000000, -0.0000346100000000, -0.0118043800000000 ]  - [  -0.0041164900000000, -0.0000009100000000, -0.0116607300000000 ]  - [  -0.0008846700000000, -0.0012618800000000, -0.0018122100000000 ]  - [  -0.0001437900000000,  0.0000121500000000, -0.0005581700000000 ]  - [  -0.0004937600000000,  0.0000000000000000, -0.0006971100000000 ]  - [  -0.0002462000000000,  0.0000000000000000, -0.0006170600000000 ]  - [  -0.0008846700000000,  0.0012618800000000, -0.0018122100000000 ]  - [  -0.0001437900000000, -0.0000121500000000, -0.0005581700000000 ]  - [  -0.0004516300000000,  0.0000007800000000, -0.0006080200000000 ]  - [  -0.0002718700000000, -0.0000055900000000, -0.0006246600000000 ]  - [  -0.0004102700000000,  0.0000000000000000, -0.0006350900000000 ]  - [  -0.0002723100000000,  0.0000000000000000, -0.0006264800000000 ]  - [  -0.0004516300000000, -0.0000007800000000, -0.0006080200000000 ]  - [  -0.0002718700000000,  0.0000055900000000, -0.0006246600000000 ]  - [   0.0003384300000000,  0.0000000000000000, -0.0007151200000000 ]  - [   0.0005030100000000,  0.0000000000000000, -0.0004682200000000 ]  - [   0.0003567400000000, -0.0000431800000000, -0.0006648200000000 ]  - [   0.0003575200000000,  0.0000221800000000, -0.0006233600000000 ]  - [   0.0003567400000000,  0.0000431800000000, -0.0006648200000000 ]  - [   0.0003575200000000, -0.0000221800000000, -0.0006233600000000 ]  - [   0.0007808100000000,  0.0000000000000000,  0.0001194300000000 ]  - [   0.0017833600000000,  0.0000000000000000, -0.0021614000000000 ]  - [   0.0003385000000000, -0.0000524000000000, -0.0005826100000000 ]  - [   0.0004407300000000, -0.0000153400000000, -0.0006493200000000 ]  - [   0.0003385000000000,  0.0000524000000000, -0.0005826100000000 ]  - [   0.0004407300000000,  0.0000153400000000, -0.0006493200000000 ]  - [   0.0007058600000000,  0.0012454300000000,  0.0010530400000000 ]  - [   0.0001787200000000, -0.0006665000000000,  0.0004296200000000 ]  - [  -0.0002461300000000,  0.0000000000000000,  0.0006304400000000 ]  - [  -0.0002535200000000,  0.0000000000000000,  0.0006073500000000 ]  - [   0.0007058600000000, -0.0012454300000000,  0.0010530400000000 ]  - [   0.0001787200000000,  0.0006665000000000,  0.0004296200000000 ]  - [  -0.0002495500000000, -0.0000099300000000,  0.0006402900000000 ]  - [  -0.0003113700000000,  0.0000029100000000,  0.0006442300000000 ]  - [  -0.0002632000000000,  0.0000000000000000,  0.0006101600000000 ]  - [  -0.0003211800000000,  0.0000000000000000,  0.0006370400000000 ]  - [  -0.0002495500000000,  0.0000099300000000,  0.0006402900000000 ]  - [  -0.0003113700000000, -0.0000029100000000,  0.0006442300000000 ]  - [  -0.0001739300000000,  0.0000000000000000,  0.0007713000000000 ]  - [   0.0004481900000000,  0.0000000000000000,  0.0005403300000000 ]  - [   0.0001699900000000, -0.0000138600000000,  0.0006192900000000 ]  - [   0.0003830400000000,  0.0000032200000000,  0.0006205700000000 ]  - [   0.0001699900000000,  0.0000138600000000,  0.0006192900000000 ]  - [   0.0003830400000000, -0.0000032200000000,  0.0006205700000000 ]  - [  -0.0001741200000000,  0.0000000000000000,  0.0018930700000000 ]  - [   0.0004222900000000,  0.0000000000000000,  0.0006109800000000 ]  - [   0.0000269900000000,  0.0001845900000000,  0.0004663700000000 ]  - [   0.0003885500000000, -0.0000427700000000,  0.0006674200000000 ]  - [   0.0000269900000000, -0.0001845900000000,  0.0004663700000000 ]  - [   0.0003885500000000,  0.0000427700000000,  0.0006674200000000 ]  - [   0.0120236700000000,  0.0000000000000000,  0.0179061000000000 ]  - [   0.0089274400000000,  0.0000000000000000,  0.0157795300000000 ]  - [   0.0097388900000000, -0.0001770600000000,  0.0153663200000000 ]  - [   0.0096309200000000,  0.0000744800000000,  0.0154675100000000 ]  - [   0.0097388900000000,  0.0001770600000000,  0.0153663200000000 ]  - [   0.0096309200000000, -0.0000744800000000,  0.0154675100000000 ]  - [   0.0096982000000000,  0.0000000000000000,  0.0155413400000000 ]  - [   0.0096793200000000,  0.0000000000000000,  0.0153971400000000 ]  - [   0.0096647900000000, -0.0001000300000000,  0.0155702700000000 ]  - [   0.0096537800000000,  0.0000279500000000,  0.0154062300000000 ]  - [   0.0096647900000000,  0.0001000300000000,  0.0155702700000000 ]  - [   0.0096537800000000, -0.0000279500000000,  0.0154062300000000 ]  - [   0.0184108300000000,  0.0000000000000000, -0.0162407900000000 ]  - [   0.0087680200000000,  0.0000000000000000, -0.0154503600000000 ]  - [   0.0099760900000000,  0.0004008700000000, -0.0155989800000000 ]  - [   0.0095693600000000, -0.0000387900000000, -0.0153836900000000 ]  - [   0.0099760900000000, -0.0004008700000000, -0.0155989800000000 ]  - [   0.0095693600000000,  0.0000387900000000, -0.0153836900000000 ]  - [   0.0097852700000000,  0.0000000000000000, -0.0154332200000000 ]  - [   0.0096068700000000,  0.0000000000000000, -0.0154457200000000 ]  - [   0.0097830500000000,  0.0000368400000000, -0.0154348400000000 ]  - [   0.0096104100000000, -0.0000022600000000, -0.0154357700000000 ]  - [   0.0097830500000000, -0.0000368400000000, -0.0154348400000000 ]  - [   0.0096104100000000,  0.0000022600000000, -0.0154357700000000 ]  - [  -0.0095751100000000, -0.0001850500000000,  0.0152061900000000 ]  - [  -0.0097702400000000,  0.0000320100000000,  0.0155007100000000 ]  - [  -0.0096368500000000,  0.0000000000000000,  0.0154452200000000 ]  - [  -0.0097347500000000,  0.0000000000000000,  0.0154558200000000 ]  - [  -0.0095751100000000,  0.0001850500000000,  0.0152061900000000 ]  - [  -0.0097702400000000, -0.0000320100000000,  0.0155007100000000 ]  - [  -0.0074530400000000,  0.0017542900000000,  0.0143324700000000 ]  - [  -0.0101247300000000,  0.0001556000000000,  0.0153454300000000 ]  - [  -0.0096720500000000,  0.0000000000000000,  0.0152790800000000 ]  - [  -0.0097579000000000,  0.0000000000000000,  0.0154236400000000 ]  - [  -0.0074530400000000, -0.0017542900000000,  0.0143324700000000 ]  - [  -0.0101247300000000, -0.0001556000000000,  0.0153454300000000 ]  - [  -0.0095444300000000,  0.0001886200000000, -0.0150233800000000 ]  - [  -0.0098641500000000,  0.0000059100000000, -0.0154812100000000 ]  - [  -0.0096345000000000,  0.0000000000000000, -0.0153929300000000 ]  - [  -0.0097590300000000,  0.0000000000000000, -0.0154460700000000 ]  - [  -0.0095444300000000, -0.0001886200000000, -0.0150233800000000 ]  - [  -0.0098641500000000, -0.0000059100000000, -0.0154812100000000 ]  - [  -0.0094904400000000,  0.0002678500000000, -0.0157295000000000 ]  - [  -0.0097541300000000, -0.0000888400000000, -0.0154882600000000 ]  - [  -0.0096234700000000,  0.0000000000000000, -0.0154682500000000 ]  - [  -0.0097570200000000,  0.0000000000000000, -0.0154483200000000 ]  - [  -0.0094904400000000, -0.0002678500000000, -0.0157295000000000 ]  - [  -0.0097541300000000,  0.0000888400000000, -0.0154882600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0231645300000000,  0.0000000000000000, -0.0127345200000000 ]  - [   0.0036855400000000,  0.0000000000000000, -0.0117210300000000 ]  - [   0.0042265600000000, -0.0001497400000000, -0.0119854000000000 ]  - [   0.0040653200000000,  0.0000471500000000, -0.0116759000000000 ]  - [   0.0042265600000000,  0.0001497400000000, -0.0119854000000000 ]  - [   0.0040653200000000, -0.0000471500000000, -0.0116759000000000 ]  - [   0.0041844700000000,  0.0000000000000000, -0.0117367100000000 ]  - [   0.0040800100000000,  0.0000000000000000, -0.0117078800000000 ]  - [   0.0041975800000000, -0.0000478500000000, -0.0117033900000000 ]  - [   0.0040800700000000,  0.0000118600000000, -0.0117125300000000 ]  - [   0.0041975800000000,  0.0000478500000000, -0.0117033900000000 ]  - [   0.0040800700000000, -0.0000118600000000, -0.0117125300000000 ]  - [   0.0038296700000000,  0.0000000000000000,  0.0127536100000000 ]  - [   0.0038314300000000,  0.0000000000000000,  0.0114893000000000 ]  - [   0.0040833300000000,  0.0000561700000000,  0.0117202600000000 ]  - [   0.0040825300000000, -0.0000153600000000,  0.0117181200000000 ]  - [   0.0040833300000000, -0.0000561700000000,  0.0117202600000000 ]  - [   0.0040825300000000,  0.0000153600000000,  0.0117181200000000 ]  - [   0.0040795800000000,  0.0000000000000000,  0.0116746800000000 ]  - [   0.0040797100000000,  0.0000000000000000,  0.0117122000000000 ]  - [   0.0040864100000000,  0.0000552600000000,  0.0116946500000000 ]  - [   0.0040855200000000,  0.0000030800000000,  0.0117037600000000 ]  - [   0.0040864100000000, -0.0000552600000000,  0.0116946500000000 ]  - [   0.0040855200000000, -0.0000030800000000,  0.0117037600000000 ]  - [  -0.0039837400000000, -0.0000165000000000,  0.0117910400000000 ]  - [  -0.0041600200000000,  0.0000050900000000,  0.0116909300000000 ]  - [  -0.0040641100000000,  0.0000000000000000,  0.0117266100000000 ]  - [  -0.0041376800000000,  0.0000000000000000,  0.0117092000000000 ]  - [  -0.0039837400000000,  0.0000165000000000,  0.0117910400000000 ]  - [  -0.0041600200000000, -0.0000050900000000,  0.0116909300000000 ]  - [  -0.0039225200000000,  0.0014388900000000,  0.0107943400000000 ]  - [  -0.0042476900000000, -0.0001302400000000,  0.0118093400000000 ]  - [  -0.0039832000000000,  0.0000000000000000,  0.0115609600000000 ]  - [  -0.0041549000000000,  0.0000000000000000,  0.0117253400000000 ]  - [  -0.0039225200000000, -0.0014388900000000,  0.0107943400000000 ]  - [  -0.0042476900000000,  0.0001302400000000,  0.0118093400000000 ]  - [  -0.0043460400000000, -0.0003327600000000, -0.0118250600000000 ]  - [  -0.0041126200000000,  0.0000854600000000, -0.0116508500000000 ]  - [  -0.0041602700000000,  0.0000000000000000, -0.0117543700000000 ]  - [  -0.0041049300000000,  0.0000000000000000, -0.0116812900000000 ]  - [  -0.0043460400000000,  0.0003327600000000, -0.0118250600000000 ]  - [  -0.0041126200000000, -0.0000854600000000, -0.0116508500000000 ]  - [  -0.0043483100000000, -0.0000331700000000, -0.0116175800000000 ]  - [  -0.0041136400000000, -0.0000010400000000, -0.0117623700000000 ]  - [  -0.0041608500000000,  0.0000000000000000, -0.0117096100000000 ]  - [  -0.0041053700000000,  0.0000000000000000, -0.0117154400000000 ]  - [  -0.0043483100000000,  0.0000331700000000, -0.0116175800000000 ]  - [  -0.0041136400000000,  0.0000010400000000, -0.0117623700000000 ]  - [   0.0002627000000000,  0.0012635700000000,  0.0005521600000000 ]  - [  -0.0004878200000000, -0.0000110300000000, -0.0007003400000000 ]  - [  -0.0001372500000000,  0.0000000000000000, -0.0005626000000000 ]  - [  -0.0003858000000000,  0.0000000000000000, -0.0006426600000000 ]  - [   0.0002627000000000, -0.0012635700000000,  0.0005521600000000 ]  - [  -0.0004878200000000,  0.0000110300000000, -0.0007003400000000 ]  - [  -0.0001800300000000,  0.0000000100000000, -0.0006521600000000 ]  - [  -0.0003600500000000,  0.0000052900000000, -0.0006351900000000 ]  - [  -0.0002213800000000,  0.0000000000000000, -0.0006254600000000 ]  - [  -0.0003592600000000,  0.0000000000000000, -0.0006338200000000 ]  - [  -0.0001800300000000, -0.0000000100000000, -0.0006521600000000 ]  - [  -0.0003600500000000, -0.0000052900000000, -0.0006351900000000 ]  - [   0.0002932700000000,  0.0000000000000000, -0.0005447500000000 ]  - [   0.0001280700000000,  0.0000000000000000, -0.0007936400000000 ]  - [   0.0002748000000000,  0.0000433900000000, -0.0005947300000000 ]  - [   0.0002746600000000, -0.0000224300000000, -0.0006366200000000 ]  - [   0.0002748000000000, -0.0000433900000000, -0.0005947300000000 ]  - [   0.0002746600000000,  0.0000224300000000, -0.0006366200000000 ]  - [  -0.0001517600000000,  0.0000000000000000, -0.0013789200000000 ]  - [  -0.0011344100000000,  0.0000000000000000,  0.0008751600000000 ]  - [   0.0002927500000000,  0.0000529800000000, -0.0006779300000000 ]  - [   0.0001884300000000,  0.0000150800000000, -0.0006113700000000 ]  - [   0.0002927500000000, -0.0000529800000000, -0.0006779300000000 ]  - [   0.0001884300000000, -0.0000150800000000, -0.0006113700000000 ]  - [  -0.0013297400000000, -0.0012276800000000,  0.0002147700000000 ]  - [  -0.0008118400000000,  0.0006639500000000,  0.0008306300000000 ]  - [  -0.0003871200000000,  0.0000000000000000,  0.0006300200000000 ]  - [  -0.0003785800000000,  0.0000000000000000,  0.0006525700000000 ]  - [  -0.0013297400000000,  0.0012276800000000,  0.0002147700000000 ]  - [  -0.0008118400000000, -0.0006639500000000,  0.0008306300000000 ]  - [  -0.0003828500000000,  0.0000098700000000,  0.0006203400000000 ]  - [  -0.0003205900000000, -0.0000030800000000,  0.0006161300000000 ]  - [  -0.0003699600000000,  0.0000000000000000,  0.0006497500000000 ]  - [  -0.0003112900000000,  0.0000000000000000,  0.0006224500000000 ]  - [  -0.0003828500000000, -0.0000098700000000,  0.0006203400000000 ]  - [  -0.0003205900000000,  0.0000030800000000,  0.0006161300000000 ]  - [   0.0008072500000000,  0.0000000000000000,  0.0004882200000000 ]  - [   0.0001838900000000,  0.0000000000000000,  0.0007191500000000 ]  - [   0.0004624400000000,  0.0000143400000000,  0.0006409200000000 ]  - [   0.0002488400000000, -0.0000031900000000,  0.0006395500000000 ]  - [   0.0004624400000000, -0.0000143400000000,  0.0006409200000000 ]  - [   0.0002488400000000,  0.0000031900000000,  0.0006395500000000 ]  - [   0.0008147900000000,  0.0000000000000000, -0.0006310600000000 ]  - [   0.0002098700000000,  0.0000000000000000,  0.0006480700000000 ]  - [   0.0006077300000000, -0.0001842000000000,  0.0007940000000000 ]  - [   0.0002433000000000,  0.0000426500000000,  0.0005925000000000 ]  - [   0.0006077300000000,  0.0001842000000000,  0.0007940000000000 ]  - [   0.0002433000000000, -0.0000426500000000,  0.0005925000000000 ]  - [   0.0073462100000000,  0.0000000000000000,  0.0129997300000000 ]  - [   0.0104452200000000,  0.0000000000000000,  0.0150966800000000 ]  - [   0.0096388400000000,  0.0001781400000000,  0.0155095500000000 ]  - [   0.0097470900000000, -0.0000741000000000,  0.0154072800000000 ]  - [   0.0096388400000000, -0.0001781400000000,  0.0155095500000000 ]  - [   0.0097470900000000,  0.0000741000000000,  0.0154072800000000 ]  - [   0.0096806400000000,  0.0000000000000000,  0.0153316000000000 ]  - [   0.0096981800000000,  0.0000000000000000,  0.0154767500000000 ]  - [   0.0097119700000000,  0.0001005000000000,  0.0153016100000000 ]  - [   0.0097237200000000, -0.0000283800000000,  0.0154686900000000 ]  - [   0.0097119700000000, -0.0001005000000000,  0.0153016100000000 ]  - [   0.0097237200000000,  0.0000283800000000,  0.0154686900000000 ]  - [   0.0004796900000000,  0.0000000000000000, -0.0145815000000000 ]  - [   0.0105988800000000,  0.0000000000000000, -0.0154274400000000 ]  - [   0.0094002100000000, -0.0004029600000000, -0.0152762700000000 ]  - [   0.0098089900000000,  0.0000377400000000, -0.0154912200000000 ]  - [   0.0094002100000000,  0.0004029600000000, -0.0152762700000000 ]  - [   0.0098089900000000, -0.0000377400000000, -0.0154912200000000 ]  - [   0.0095914100000000,  0.0000000000000000, -0.0154392500000000 ]  - [   0.0097717900000000,  0.0000000000000000, -0.0154259400000000 ]  - [   0.0095948700000000, -0.0000343000000000, -0.0154407700000000 ]  - [   0.0097678600000000,  0.0000019900000000, -0.0154382900000000 ]  - [   0.0095948700000000,  0.0000343000000000, -0.0154407700000000 ]  - [   0.0097678600000000, -0.0000019900000000, -0.0154382900000000 ]  - [  -0.0098021500000000,  0.0001863100000000,  0.0156695300000000 ]  - [  -0.0096067000000000, -0.0000326600000000,  0.0153763600000000 ]  - [  -0.0097426200000000,  0.0000000000000000,  0.0154303900000000 ]  - [  -0.0096429200000000,  0.0000000000000000,  0.0154203100000000 ]  - [  -0.0098021500000000, -0.0001863100000000,  0.0156695300000000 ]  - [  -0.0096067000000000,  0.0000326600000000,  0.0153763600000000 ]  - [  -0.0119432200000000, -0.0017741800000000,  0.0165525100000000 ]  - [  -0.0092548400000000, -0.0001567000000000,  0.0155283500000000 ]  - [  -0.0097079300000000,  0.0000000000000000,  0.0155961300000000 ]  - [  -0.0096194900000000,  0.0000000000000000,  0.0154497400000000 ]  - [  -0.0119432200000000,  0.0017741800000000,  0.0165525100000000 ]  - [  -0.0092548400000000,  0.0001567000000000,  0.0155283500000000 ]  - [  -0.0098340000000000, -0.0001902100000000, -0.0158543900000000 ]  - [  -0.0095117500000000, -0.0000039300000000, -0.0153942400000000 ]  - [  -0.0097426600000000,  0.0000000000000000, -0.0154791000000000 ]  - [  -0.0096184000000000,  0.0000000000000000, -0.0154289200000000 ]  - [  -0.0098340000000000,  0.0001902100000000, -0.0158543900000000 ]  - [  -0.0095117500000000,  0.0000039300000000, -0.0153942400000000 ]  - [  -0.0098873000000000, -0.0002691100000000, -0.0151418300000000 ]  - [  -0.0096227700000000,  0.0000862900000000, -0.0153854800000000 ]  - [  -0.0097556200000000,  0.0000000000000000, -0.0154048200000000 ]  - [  -0.0096189100000000,  0.0000000000000000, -0.0154247400000000 ]  - [  -0.0098873000000000,  0.0002691100000000, -0.0151418300000000 ]  - [  -0.0096227700000000, -0.0000862900000000, -0.0153854800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0040210400000000, -0.0241393300000000, -0.0115041300000000 ]  - [   0.0041144800000000,  0.0000085000000000, -0.0117116100000000 ]  - [   0.0039651700000000,  0.0008053800000000, -0.0114097100000000 ]  - [   0.0041619700000000, -0.0000015700000000, -0.0117411800000000 ]  - [   0.0042647200000000,  0.0008006000000000, -0.0120154900000000 ]  - [   0.0040675700000000, -0.0000014800000000, -0.0116815100000000 ]  - [   0.0041143300000000,  0.0000511100000000, -0.0117119000000000 ]  - [   0.0041144700000000, -0.0000034300000000, -0.0117112800000000 ]  - [   0.0040672200000000, -0.0000327000000000, -0.0118218600000000 ]  - [   0.0041263000000000,  0.0000028500000000, -0.0117308800000000 ]  - [   0.0041620600000000, -0.0000329600000000, -0.0116007200000000 ]  - [   0.0041021800000000,  0.0000028700000000, -0.0116925900000000 ]  - [   0.0041147300000000,  0.0001215900000000,  0.0117116600000000 ]  - [   0.0041137700000000,  0.0001216900000000,  0.0117118700000000 ]  - [   0.0040993400000000, -0.0000132100000000,  0.0118013600000000 ]  - [   0.0041709200000000, -0.0000137700000000,  0.0117724300000000 ]  - [   0.0041295400000000, -0.0000135300000000,  0.0116222000000000 ]  - [   0.0040587900000000, -0.0000134100000000,  0.0116506200000000 ]  - [   0.0041142500000000, -0.0001779100000000,  0.0117115500000000 ]  - [   0.0041144700000000, -0.0001777400000000,  0.0117115500000000 ]  - [   0.0041175900000000,  0.0000869000000000,  0.0116888800000000 ]  - [   0.0041698000000000,  0.0000873700000000,  0.0116909400000000 ]  - [   0.0041115000000000,  0.0000870300000000,  0.0117338700000000 ]  - [   0.0040587900000000,  0.0000871100000000,  0.0117324500000000 ]  - [  -0.0040979000000000, -0.0000130100000000,  0.0117132700000000 ]  - [  -0.0041192500000000, -0.0000093700000000,  0.0116861200000000 ]  - [  -0.0041145900000000,  0.0000231200000000,  0.0117113900000000 ]  - [  -0.0041136600000000,  0.0000306800000000,  0.0117116400000000 ]  - [  -0.0041302000000000, -0.0000129300000000,  0.0117102100000000 ]  - [  -0.0041095400000000, -0.0000090000000000,  0.0117358300000000 ]  - [  -0.0055538100000000,  0.0003850600000000,  0.0115446200000000 ]  - [  -0.0039834900000000, -0.0000435000000000,  0.0117835600000000 ]  - [  -0.0041142300000000,  0.0001213800000000,  0.0117109400000000 ]  - [  -0.0041145200000000,  0.0000938900000000,  0.0117112100000000 ]  - [  -0.0026862300000000,  0.0003788300000000,  0.0118710600000000 ]  - [  -0.0042454400000000, -0.0000436400000000,  0.0116393700000000 ]  - [  -0.0040800800000000, -0.0002360800000000, -0.0116466100000000 ]  - [  -0.0041133800000000, -0.0000125100000000, -0.0117155900000000 ]  - [  -0.0041144300000000,  0.0001707100000000, -0.0117114500000000 ]  - [  -0.0041142700000000,  0.0000275000000000, -0.0117117300000000 ]  - [  -0.0041481600000000, -0.0002349100000000, -0.0117751500000000 ]  - [  -0.0041149200000000, -0.0000113800000000, -0.0117086200000000 ]  - [  -0.0037821500000000, -0.0002328500000000, -0.0126751000000000 ]  - [  -0.0042000400000000, -0.0000120700000000, -0.0117070400000000 ]  - [  -0.0041144400000000,  0.0001709000000000, -0.0117112900000000 ]  - [  -0.0041148000000000,  0.0000268100000000, -0.0117111000000000 ]  - [  -0.0044464300000000, -0.0002379100000000, -0.0107484900000000 ]  - [  -0.0040290900000000, -0.0000116100000000, -0.0117154100000000 ]  - [  -0.0016463100000000,  0.0015338400000000,  0.0015417900000000 ]  - [  -0.0003186800000000, -0.0000465800000000, -0.0006143900000000 ]  - [  -0.0003154400000000,  0.0001558300000000, -0.0006305700000000 ]  - [  -0.0003151000000000,  0.0000975100000000, -0.0006302700000000 ]  - [   0.0009980200000000,  0.0015202900000000, -0.0027739000000000 ]  - [  -0.0003121900000000, -0.0000465000000000, -0.0006464500000000 ]  - [  -0.0003215200000000, -0.0000619000000000, -0.0007682200000000 ]  - [  -0.0002596700000000, -0.0000209800000000, -0.0007193800000000 ]  - [  -0.0003153900000000,  0.0001281200000000, -0.0006303000000000 ]  - [  -0.0003155000000000,  0.0000450900000000, -0.0006302300000000 ]  - [  -0.0003099200000000, -0.0000627100000000, -0.0004930000000000 ]  - [  -0.0003715100000000, -0.0000210600000000, -0.0005413800000000 ]  - [   0.0003154800000000, -0.0000182500000000, -0.0006310000000000 ]  - [   0.0003150900000000,  0.0000671700000000, -0.0006311800000000 ]  - [   0.0003119700000000,  0.0000092300000000, -0.0006330600000000 ]  - [   0.0003303500000000, -0.0000145000000000, -0.0006185300000000 ]  - [   0.0003189300000000,  0.0000093000000000, -0.0006280500000000 ]  - [   0.0003010600000000, -0.0000140600000000, -0.0006422600000000 ]  - [   0.0003155100000000, -0.0000006600000000, -0.0006299400000000 ]  - [   0.0003136000000000, -0.0012282700000000, -0.0006274100000000 ]  - [   0.0002591800000000,  0.0000450000000000, -0.0006516800000000 ]  - [   0.0007589500000000,  0.0005821800000000, -0.0007015600000000 ]  - [   0.0003710400000000,  0.0000448900000000, -0.0006094600000000 ]  - [  -0.0001318500000000,  0.0005823100000000, -0.0005598100000000 ]  - [   0.0008984900000000,  0.0004684700000000,  0.0014756000000000 ]  - [  -0.0002529300000000, -0.0001683200000000,  0.0005899000000000 ]  - [  -0.0003157500000000,  0.0001475900000000,  0.0006301300000000 ]  - [  -0.0003159100000000,  0.0001427300000000,  0.0006303500000000 ]  - [  -0.0015175700000000,  0.0004656000000000, -0.0002108000000000 ]  - [  -0.0003791700000000, -0.0001672400000000,  0.0006712600000000 ]  - [  -0.0003314600000000, -0.0000703400000000,  0.0005608900000000 ]  - [  -0.0003379200000000, -0.0000207400000000,  0.0005834000000000 ]  - [  -0.0003155900000000,  0.0001535700000000,  0.0006300900000000 ]  - [  -0.0003153000000000,  0.0000407100000000,  0.0006303200000000 ]  - [  -0.0002992800000000, -0.0000709900000000,  0.0006992900000000 ]  - [  -0.0002927200000000, -0.0000208100000000,  0.0006775100000000 ]  - [   0.0003156900000000,  0.0000659500000000,  0.0006300000000000 ]  - [   0.0003152700000000,  0.0000015000000000,  0.0006303400000000 ]  - [   0.0002848900000000, -0.0000045500000000,  0.0006813800000000 ]  - [   0.0002974800000000, -0.0000091700000000,  0.0006328700000000 ]  - [   0.0003464700000000, -0.0000044100000000,  0.0005799600000000 ]  - [   0.0003333000000000, -0.0000084300000000,  0.0006277600000000 ]  - [   0.0003162100000000, -0.0012645300000000,  0.0006363000000000 ]  - [   0.0003159400000000, -0.0001497200000000,  0.0006306600000000 ]  - [  -0.0000690600000000,  0.0005485700000000,  0.0004062900000000 ]  - [   0.0003631900000000,  0.0000708000000000,  0.0006542300000000 ]  - [   0.0007036500000000,  0.0005480700000000,  0.0008550700000000 ]  - [   0.0002689500000000,  0.0000708500000000,  0.0006068400000000 ]  - [   0.0096808700000000,  0.0020535800000000,  0.0154139800000000 ]  - [   0.0096896200000000, -0.0000595200000000,  0.0154383900000000 ]  - [   0.0096189800000000, -0.0002470100000000,  0.0150741800000000 ]  - [   0.0097088100000000,  0.0000059900000000,  0.0153686500000000 ]  - [   0.0097586900000000, -0.0002458300000000,  0.0158001900000000 ]  - [   0.0096690600000000,  0.0000053100000000,  0.0155060800000000 ]  - [   0.0096885300000000,  0.0005457700000000,  0.0154396200000000 ]  - [   0.0096886400000000,  0.0001771200000000,  0.0154381100000000 ]  - [   0.0096618900000000, -0.0003341500000000,  0.0159597000000000 ]  - [   0.0096978000000000, -0.0000868700000000,  0.0154673500000000 ]  - [   0.0097155300000000, -0.0003342100000000,  0.0149133200000000 ]  - [   0.0096801500000000, -0.0000870600000000,  0.0154085700000000 ]  - [   0.0097170300000000,  0.0021706000000000, -0.0154407600000000 ]  - [   0.0096896000000000,  0.0003352200000000, -0.0154385500000000 ]  - [   0.0100775300000000, -0.0002725400000000, -0.0156200000000000 ]  - [   0.0094508200000000, -0.0001691700000000, -0.0155245900000000 ]  - [   0.0093009300000000, -0.0002719600000000, -0.0152558600000000 ]  - [   0.0099261600000000, -0.0001675200000000, -0.0153499800000000 ]  - [   0.0096889800000000,  0.0000494500000000, -0.0154379400000000 ]  - [   0.0096888900000000,  0.0000624500000000, -0.0154376900000000 ]  - [   0.0097061500000000, -0.0000186300000000, -0.0153802800000000 ]  - [   0.0096501900000000, -0.0000303800000000, -0.0153560800000000 ]  - [   0.0096713000000000, -0.0000186300000000, -0.0154955100000000 ]  - [   0.0097276500000000, -0.0000290800000000, -0.0155190500000000 ]  - [  -0.0097053900000000,  0.0001072100000000,  0.0155487500000000 ]  - [  -0.0096728400000000,  0.0000151000000000,  0.0154442400000000 ]  - [  -0.0096887700000000, -0.0001459700000000,  0.0154371000000000 ]  - [  -0.0096884000000000, -0.0000376800000000,  0.0154376600000000 ]  - [  -0.0096727700000000,  0.0001065400000000,  0.0153270200000000 ]  - [  -0.0097048000000000,  0.0000149200000000,  0.0154315000000000 ]  - [  -0.0079833500000000,  0.0079341000000000,  0.0116051300000000 ]  - [  -0.0097704200000000,  0.0000771400000000,  0.0153496200000000 ]  - [  -0.0096900300000000, -0.0009973300000000,  0.0154382900000000 ]  - [  -0.0096883100000000, -0.0000983200000000,  0.0154368400000000 ]  - [  -0.0113074700000000,  0.0076566300000000,  0.0190575500000000 ]  - [  -0.0096085200000000,  0.0000760500000000,  0.0155234300000000 ]  - [  -0.0096662800000000,  0.0000389200000000, -0.0154566700000000 ]  - [  -0.0095635000000000,  0.0001356700000000, -0.0154100100000000 ]  - [  -0.0096885600000000, -0.0000834000000000, -0.0154371400000000 ]  - [  -0.0096891600000000, -0.0000845900000000, -0.0154382600000000 ]  - [  -0.0097114400000000,  0.0000403000000000, -0.0154194400000000 ]  - [  -0.0098133600000000,  0.0001334000000000, -0.0154648100000000 ]  - [  -0.0092570500000000,  0.0000958700000000, -0.0152068600000000 ]  - [  -0.0101878900000000,  0.0001237900000000, -0.0151338600000000 ]  - [  -0.0096891700000000, -0.0001696500000000, -0.0154365600000000 ]  - [  -0.0096887200000000, -0.0001926400000000, -0.0154375400000000 ]  - [  -0.0101191200000000,  0.0000957100000000, -0.0156665200000000 ]  - [  -0.0091914700000000,  0.0001247800000000, -0.0157388900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0049855900000000,  0.0000000000000000, -0.0350190600000000 ]  - [   0.0041248800000000,  0.0000000000000000, -0.0116864300000000 ]  - [   0.0043877600000000, -0.0003031800000000, -0.0124161600000000 ]  - [   0.0040792300000000,  0.0000298400000000, -0.0117079900000000 ]  - [   0.0043877600000000,  0.0003031800000000, -0.0124161600000000 ]  - [   0.0040792300000000, -0.0000298400000000, -0.0117079900000000 ]  - [   0.0041393300000000,  0.0000000000000000, -0.0114998100000000 ]  - [   0.0041103400000000,  0.0000000000000000, -0.0116569600000000 ]  - [   0.0041068800000000,  0.0001104700000000, -0.0115922400000000 ]  - [   0.0041150100000000,  0.0000190400000000, -0.0116633200000000 ]  - [   0.0041068800000000, -0.0001104700000000, -0.0115922400000000 ]  - [   0.0041150100000000, -0.0000190400000000, -0.0116633200000000 ]  - [   0.0038898300000000,  0.0000000000000000,  0.0115252600000000 ]  - [   0.0051574900000000,  0.0000000000000000,  0.0115264800000000 ]  - [   0.0041202600000000,  0.0000616100000000,  0.0115744800000000 ]  - [   0.0041233300000000,  0.0000896800000000,  0.0115743500000000 ]  - [   0.0041202600000000, -0.0000616100000000,  0.0115744800000000 ]  - [   0.0041233300000000, -0.0000896800000000,  0.0115743500000000 ]  - [   0.0041149800000000,  0.0000000000000000,  0.0118023300000000 ]  - [   0.0040775600000000,  0.0000000000000000,  0.0118007900000000 ]  - [   0.0041075100000000, -0.0000212100000000,  0.0117920400000000 ]  - [   0.0040980200000000, -0.0000230700000000,  0.0117919900000000 ]  - [   0.0041075100000000,  0.0000212100000000,  0.0117920400000000 ]  - [   0.0040980200000000,  0.0000230700000000,  0.0117919900000000 ]  - [  -0.0041942500000000,  0.0000019800000000,  0.0117603800000000 ]  - [  -0.0040949800000000, -0.0000247600000000,  0.0118726700000000 ]  - [  -0.0041295800000000,  0.0000000000000000,  0.0117082800000000 ]  - [  -0.0041115000000000,  0.0000000000000000,  0.0117429300000000 ]  - [  -0.0041942500000000, -0.0000019800000000,  0.0117603800000000 ]  - [  -0.0040949800000000,  0.0000247600000000,  0.0118726700000000 ]  - [  -0.0032007600000000, -0.0001630500000000,  0.0115585800000000 ]  - [  -0.0042139000000000,  0.0000721400000000,  0.0116566000000000 ]  - [  -0.0039647800000000,  0.0000000000000000,  0.0117052500000000 ]  - [  -0.0041280100000000,  0.0000000000000000,  0.0117128500000000 ]  - [  -0.0032007600000000,  0.0001630500000000,  0.0115585800000000 ]  - [  -0.0042139000000000, -0.0000721400000000,  0.0116566000000000 ]  - [  -0.0040207200000000,  0.0009629500000000, -0.0112762900000000 ]  - [  -0.0041655700000000, -0.0000052200000000, -0.0117472800000000 ]  - [  -0.0041132900000000,  0.0000000000000000, -0.0115874000000000 ]  - [  -0.0041184600000000,  0.0000000000000000, -0.0117127700000000 ]  - [  -0.0040207200000000, -0.0009629500000000, -0.0112762900000000 ]  - [  -0.0041655700000000,  0.0000052200000000, -0.0117472800000000 ]  - [  -0.0042269900000000, -0.0000630700000000, -0.0112791500000000 ]  - [  -0.0040532400000000,  0.0000034100000000, -0.0117475200000000 ]  - [  -0.0041574200000000,  0.0000000000000000, -0.0115879100000000 ]  - [  -0.0040843900000000,  0.0000000000000000, -0.0117112200000000 ]  - [  -0.0042269900000000,  0.0000630700000000, -0.0112791500000000 ]  - [  -0.0040532400000000, -0.0000034100000000, -0.0117475200000000 ]  - [  -0.0015900600000000,  0.0021940800000000,  0.0000419200000000 ]  - [  -0.0002576100000000,  0.0000286300000000, -0.0007475300000000 ]  - [  -0.0004161500000000,  0.0000000000000000, -0.0007867400000000 ]  - [  -0.0003301200000000,  0.0000000000000000, -0.0007087700000000 ]  - [  -0.0015900600000000, -0.0021940800000000,  0.0000419200000000 ]  - [  -0.0002576100000000, -0.0000286300000000, -0.0007475300000000 ]  - [  -0.0002795000000000, -0.0000224500000000, -0.0004754900000000 ]  - [  -0.0003299700000000,  0.0000018600000000, -0.0005319000000000 ]  - [  -0.0002684700000000,  0.0000000000000000, -0.0005525800000000 ]  - [  -0.0003075100000000,  0.0000000000000000, -0.0005660700000000 ]  - [  -0.0002795000000000,  0.0000224500000000, -0.0004754900000000 ]  - [  -0.0003299700000000, -0.0000018600000000, -0.0005319000000000 ]  - [   0.0003044500000000,  0.0000000000000000, -0.0006002400000000 ]  - [   0.0006115800000000,  0.0000000000000000,  0.0000069300000000 ]  - [   0.0003068200000000,  0.0000534300000000, -0.0006032500000000 ]  - [   0.0003010400000000,  0.0001087800000000, -0.0005703400000000 ]  - [   0.0003068200000000, -0.0000534300000000, -0.0006032500000000 ]  - [   0.0003010400000000, -0.0001087800000000, -0.0005703400000000 ]  - [   0.0003022300000000,  0.0000000000000000, -0.0008816800000000 ]  - [  -0.0011585100000000,  0.0000000000000000, -0.0000009800000000 ]  - [   0.0003730900000000,  0.0000122400000000, -0.0006383600000000 ]  - [  -0.0001517100000000, -0.0002477200000000, -0.0004289000000000 ]  - [   0.0003730900000000, -0.0000122400000000, -0.0006383600000000 ]  - [  -0.0001517100000000,  0.0002477200000000, -0.0004289000000000 ]  - [   0.0000868700000000,  0.0008289700000000, -0.0002551300000000 ]  - [  -0.0003075200000000,  0.0000844900000000,  0.0006977900000000 ]  - [  -0.0003267500000000,  0.0000000000000000,  0.0003836800000000 ]  - [  -0.0002391400000000,  0.0000000000000000,  0.0005778400000000 ]  - [   0.0000868700000000, -0.0008289700000000, -0.0002551300000000 ]  - [  -0.0003075200000000, -0.0000844900000000,  0.0006977900000000 ]  - [  -0.0003159100000000, -0.0000281500000000,  0.0007916300000000 ]  - [  -0.0003133100000000,  0.0000039800000000,  0.0007163600000000 ]  - [  -0.0003604900000000,  0.0000000000000000,  0.0007089500000000 ]  - [  -0.0003306200000000,  0.0000000000000000,  0.0006826200000000 ]  - [  -0.0003159100000000,  0.0000281500000000,  0.0007916300000000 ]  - [  -0.0003133100000000, -0.0000039800000000,  0.0007163600000000 ]  - [  -0.0002310700000000,  0.0000000000000000,  0.0012231100000000 ]  - [   0.0004388600000000,  0.0000000000000000,  0.0006658200000000 ]  - [   0.0002868100000000,  0.0000856100000000,  0.0006405500000000 ]  - [   0.0004217500000000,  0.0001001600000000,  0.0006559600000000 ]  - [   0.0002868100000000, -0.0000856100000000,  0.0006405500000000 ]  - [   0.0004217500000000, -0.0001001600000000,  0.0006559600000000 ]  - [   0.0016466800000000,  0.0000000000000000,  0.0036818500000000 ]  - [   0.0002583900000000,  0.0000000000000000,  0.0005347300000000 ]  - [   0.0005948600000000, -0.0001691100000000,  0.0009648600000000 ]  - [   0.0002563300000000,  0.0000022900000000,  0.0005944400000000 ]  - [   0.0005948600000000,  0.0001691100000000,  0.0009648600000000 ]  - [   0.0002563300000000, -0.0000022900000000,  0.0005944400000000 ]  - [   0.0119147200000000,  0.0000000000000000,  0.0232804600000000 ]  - [   0.0095332700000000,  0.0000000000000000,  0.0155625700000000 ]  - [   0.0097333800000000, -0.0004269200000000,  0.0157990500000000 ]  - [   0.0096516500000000, -0.0000647300000000,  0.0155745000000000 ]  - [   0.0097333800000000,  0.0004269200000000,  0.0157990500000000 ]  - [   0.0096516500000000,  0.0000647300000000,  0.0155745000000000 ]  - [   0.0097020100000000,  0.0000000000000000,  0.0148919800000000 ]  - [   0.0096669600000000,  0.0000000000000000,  0.0153375300000000 ]  - [   0.0096873500000000, -0.0000148100000000,  0.0151211800000000 ]  - [   0.0096681300000000,  0.0000129500000000,  0.0153572100000000 ]  - [   0.0096873500000000,  0.0000148100000000,  0.0151211800000000 ]  - [   0.0096681300000000, -0.0000129500000000,  0.0153572100000000 ]  - [   0.0089691100000000,  0.0000000000000000, -0.0133385900000000 ]  - [   0.0095547700000000,  0.0000000000000000, -0.0149258000000000 ]  - [   0.0093909000000000,  0.0000198300000000, -0.0151297200000000 ]  - [   0.0098823100000000,  0.0000136800000000, -0.0152221200000000 ]  - [   0.0093909000000000, -0.0000198300000000, -0.0151297200000000 ]  - [   0.0098823100000000, -0.0000136800000000, -0.0152221200000000 ]  - [   0.0097176100000000,  0.0000000000000000, -0.0156108300000000 ]  - [   0.0097026400000000,  0.0000000000000000, -0.0156673800000000 ]  - [   0.0097246100000000, -0.0000565100000000, -0.0155601500000000 ]  - [   0.0096955700000000, -0.0000351400000000, -0.0156155500000000 ]  - [   0.0097246100000000,  0.0000565100000000, -0.0155601500000000 ]  - [   0.0096955700000000,  0.0000351400000000, -0.0156155500000000 ]  - [  -0.0095792400000000, -0.0002899500000000,  0.0149189800000000 ]  - [  -0.0097304000000000,  0.0000036400000000,  0.0153148700000000 ]  - [  -0.0096741700000000,  0.0000000000000000,  0.0153680200000000 ]  - [  -0.0097016400000000,  0.0000000000000000,  0.0153985100000000 ]  - [  -0.0095792400000000,  0.0002899500000000,  0.0149189800000000 ]  - [  -0.0097304000000000, -0.0000036400000000,  0.0153148700000000 ]  - [  -0.0107578000000000, -0.0037186500000000,  0.0196407500000000 ]  - [  -0.0096234800000000, -0.0001182700000000,  0.0155267900000000 ]  - [  -0.0098231200000000,  0.0000000000000000,  0.0156506400000000 ]  - [  -0.0096965400000000,  0.0000000000000000,  0.0154492900000000 ]  - [  -0.0107578000000000,  0.0037186500000000,  0.0196407500000000 ]  - [  -0.0096234800000000,  0.0001182700000000,  0.0155267900000000 ]  - [  -0.0094007200000000, -0.0001599800000000, -0.0154563800000000 ]  - [  -0.0102348400000000, -0.0004741800000000, -0.0156458100000000 ]  - [  -0.0096589000000000,  0.0000000000000000, -0.0153762600000000 ]  - [  -0.0097206000000000,  0.0000000000000000, -0.0154206500000000 ]  - [  -0.0094007200000000,  0.0001599800000000, -0.0154563800000000 ]  - [  -0.0102348400000000,  0.0004741800000000, -0.0156458100000000 ]  - [  -0.0099815100000000, -0.0000196400000000, -0.0155303700000000 ]  - [  -0.0094196600000000, -0.0000078400000000, -0.0155916800000000 ]  - [  -0.0097840300000000,  0.0000000000000000, -0.0155235200000000 ]  - [  -0.0095996600000000,  0.0000000000000000, -0.0155176800000000 ]  - [  -0.0099815100000000,  0.0000196400000000, -0.0155303700000000 ]  - [  -0.0094196600000000,  0.0000078400000000, -0.0155916800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0030341400000000,  0.0000000000000000,  0.0113163000000000 ]  - [   0.0041074500000000,  0.0000000000000000, -0.0117347200000000 ]  - [   0.0038402300000000,  0.0003035900000000, -0.0110064100000000 ]  - [   0.0041504500000000, -0.0000294800000000, -0.0117142200000000 ]  - [   0.0038402300000000, -0.0003035900000000, -0.0110064100000000 ]  - [   0.0041504500000000,  0.0000294800000000, -0.0117142200000000 ]  - [   0.0040900800000000,  0.0000000000000000, -0.0119226900000000 ]  - [   0.0041206200000000,  0.0000000000000000, -0.0117633100000000 ]  - [   0.0041238300000000, -0.0001117800000000, -0.0118310800000000 ]  - [   0.0041159600000000, -0.0000192200000000, -0.0117614800000000 ]  - [   0.0041238300000000,  0.0001117800000000, -0.0118310800000000 ]  - [   0.0041159600000000,  0.0000192200000000, -0.0117614800000000 ]  - [   0.0043389900000000,  0.0000000000000000,  0.0118957700000000 ]  - [   0.0030749100000000,  0.0000000000000000,  0.0118985500000000 ]  - [   0.0041093600000000, -0.0000608200000000,  0.0118497600000000 ]  - [   0.0041076200000000, -0.0000901000000000,  0.0118491200000000 ]  - [   0.0041093600000000,  0.0000608200000000,  0.0118497600000000 ]  - [   0.0041076200000000,  0.0000901000000000,  0.0118491200000000 ]  - [   0.0041138800000000,  0.0000000000000000,  0.0116230500000000 ]  - [   0.0041515600000000,  0.0000000000000000,  0.0116234800000000 ]  - [   0.0041215100000000,  0.0000229300000000,  0.0116289900000000 ]  - [   0.0041303700000000,  0.0000231900000000,  0.0116308700000000 ]  - [   0.0041215100000000, -0.0000229300000000,  0.0116289900000000 ]  - [   0.0041303700000000, -0.0000231900000000,  0.0116308700000000 ]  - [  -0.0040347400000000, -0.0000024300000000,  0.0116620300000000 ]  - [  -0.0041353800000000,  0.0000252700000000,  0.0115485500000000 ]  - [  -0.0041027900000000,  0.0000000000000000,  0.0117126900000000 ]  - [  -0.0041167700000000,  0.0000000000000000,  0.0116814100000000 ]  - [  -0.0040347400000000,  0.0000024300000000,  0.0116620300000000 ]  - [  -0.0041353800000000, -0.0000252700000000,  0.0115485500000000 ]  - [  -0.0050298300000000,  0.0001633400000000,  0.0118666300000000 ]  - [  -0.0040157500000000, -0.0000733000000000,  0.0117654300000000 ]  - [  -0.0042656000000000,  0.0000000000000000,  0.0117191500000000 ]  - [  -0.0041012600000000,  0.0000000000000000,  0.0117099900000000 ]  - [  -0.0050298300000000, -0.0001633400000000,  0.0118666300000000 ]  - [  -0.0040157500000000,  0.0000733000000000,  0.0117654300000000 ]  - [  -0.0042078100000000, -0.0009641600000000, -0.0121407200000000 ]  - [  -0.0040630700000000,  0.0000043100000000, -0.0116759500000000 ]  - [  -0.0041162000000000,  0.0000000000000000, -0.0118335300000000 ]  - [  -0.0041119800000000,  0.0000000000000000, -0.0117111900000000 ]  - [  -0.0042078100000000,  0.0009641600000000, -0.0121407200000000 ]  - [  -0.0040630700000000, -0.0000043100000000, -0.0116759500000000 ]  - [  -0.0040004000000000,  0.0000661400000000, -0.0121437200000000 ]  - [  -0.0041772100000000, -0.0000029100000000, -0.0116778600000000 ]  - [  -0.0040724700000000,  0.0000000000000000, -0.0118340400000000 ]  - [  -0.0041481800000000,  0.0000000000000000, -0.0117095400000000 ]  - [  -0.0040004000000000, -0.0000661400000000, -0.0121437200000000 ]  - [  -0.0041772100000000,  0.0000029100000000, -0.0116778600000000 ]  - [   0.0009465500000000, -0.0021745900000000, -0.0012973300000000 ]  - [  -0.0003741900000000, -0.0000295300000000, -0.0005120700000000 ]  - [  -0.0002184800000000,  0.0000000000000000, -0.0004717300000000 ]  - [  -0.0003022800000000,  0.0000000000000000, -0.0005497400000000 ]  - [   0.0009465500000000,  0.0021745900000000, -0.0012973300000000 ]  - [  -0.0003741900000000,  0.0000295300000000, -0.0005120700000000 ]  - [  -0.0003532700000000,  0.0000237200000000, -0.0007848000000000 ]  - [  -0.0003035500000000, -0.0000021700000000, -0.0007262600000000 ]  - [  -0.0003642000000000,  0.0000000000000000, -0.0007077800000000 ]  - [  -0.0003253000000000,  0.0000000000000000, -0.0006932200000000 ]  - [  -0.0003532700000000, -0.0000237200000000, -0.0007848000000000 ]  - [  -0.0003035500000000,  0.0000021700000000, -0.0007262600000000 ]  - [   0.0003298200000000,  0.0000000000000000, -0.0006584800000000 ]  - [   0.0000182300000000,  0.0000000000000000, -0.0012694600000000 ]  - [   0.0003265500000000, -0.0000535900000000, -0.0006559800000000 ]  - [   0.0003307800000000, -0.0001092400000000, -0.0006895300000000 ]  - [   0.0003265500000000,  0.0000535900000000, -0.0006559800000000 ]  - [   0.0003307800000000,  0.0001092400000000, -0.0006895300000000 ]  - [   0.0003303900000000,  0.0000000000000000, -0.0003759100000000 ]  - [   0.0018020700000000,  0.0000000000000000, -0.0012601800000000 ]  - [   0.0002593400000000, -0.0000124100000000, -0.0006206200000000 ]  - [   0.0007827600000000,  0.0002466700000000, -0.0008322600000000 ]  - [   0.0002593400000000,  0.0000124100000000, -0.0006206200000000 ]  - [   0.0007827600000000, -0.0002466700000000, -0.0008322600000000 ]  - [  -0.0007194600000000, -0.0008306600000000,  0.0015129100000000 ]  - [  -0.0003264300000000, -0.0000863200000000,  0.0005610200000000 ]  - [  -0.0003056300000000,  0.0000000000000000,  0.0008772400000000 ]  - [  -0.0003944900000000,  0.0000000000000000,  0.0006817600000000 ]  - [  -0.0007194600000000,  0.0008306600000000,  0.0015129100000000 ]  - [  -0.0003264300000000,  0.0000863200000000,  0.0005610200000000 ]  - [  -0.0003165400000000,  0.0000283000000000,  0.0004686700000000 ]  - [  -0.0003192300000000, -0.0000042700000000,  0.0005438300000000 ]  - [  -0.0002721400000000,  0.0000000000000000,  0.0005504300000000 ]  - [  -0.0003041100000000,  0.0000000000000000,  0.0005768700000000 ]  - [  -0.0003165400000000, -0.0000283000000000,  0.0004686700000000 ]  - [  -0.0003192300000000,  0.0000042700000000,  0.0005438300000000 ]  - [   0.0008655000000000,  0.0000000000000000,  0.0000386300000000 ]  - [   0.0001937400000000,  0.0000000000000000,  0.0005933600000000 ]  - [   0.0003454500000000, -0.0000853800000000,  0.0006189900000000 ]  - [   0.0002099600000000, -0.0001003100000000,  0.0006033300000000 ]  - [   0.0003454500000000,  0.0000853800000000,  0.0006189900000000 ]  - [   0.0002099600000000,  0.0001003100000000,  0.0006033300000000 ]  - [  -0.0010361600000000,  0.0000000000000000, -0.0024756400000000 ]  - [   0.0003750300000000,  0.0000000000000000,  0.0007256700000000 ]  - [   0.0000395000000000,  0.0001682300000000,  0.0002956800000000 ]  - [   0.0003766800000000, -0.0000023300000000,  0.0006655600000000 ]  - [   0.0000395000000000, -0.0001682300000000,  0.0002956800000000 ]  - [   0.0003766800000000,  0.0000023300000000,  0.0006655600000000 ]  - [   0.0076202900000000,  0.0000000000000000,  0.0079780400000000 ]  - [   0.0098389800000000,  0.0000000000000000,  0.0153107900000000 ]  - [   0.0096426100000000,  0.0004235600000000,  0.0150742900000000 ]  - [   0.0097236600000000,  0.0000662500000000,  0.0152987800000000 ]  - [   0.0096426100000000, -0.0004235600000000,  0.0150742900000000 ]  - [   0.0097236600000000, -0.0000662500000000,  0.0152987800000000 ]  - [   0.0096751800000000,  0.0000000000000000,  0.0159854600000000 ]  - [   0.0097098800000000,  0.0000000000000000,  0.0155381500000000 ]  - [   0.0096877300000000,  0.0000156700000000,  0.0157502100000000 ]  - [   0.0097084000000000, -0.0000126600000000,  0.0155183900000000 ]  - [   0.0096877300000000, -0.0000156700000000,  0.0157502100000000 ]  - [   0.0097084000000000,  0.0000126600000000,  0.0155183900000000 ]  - [   0.0104518800000000,  0.0000000000000000, -0.0175456800000000 ]  - [   0.0098220100000000,  0.0000000000000000, -0.0159458200000000 ]  - [   0.0099860600000000, -0.0000185200000000, -0.0157447500000000 ]  - [   0.0094935100000000, -0.0000107200000000, -0.0156521300000000 ]  - [   0.0099860600000000,  0.0000185200000000, -0.0157447500000000 ]  - [   0.0094935100000000,  0.0000107200000000, -0.0156521300000000 ]  - [   0.0096570200000000,  0.0000000000000000, -0.0152628800000000 ]  - [   0.0096727300000000,  0.0000000000000000, -0.0152029500000000 ]  - [   0.0096513200000000,  0.0000557400000000, -0.0153139600000000 ]  - [   0.0096814200000000,  0.0000381300000000, -0.0152595600000000 ]  - [   0.0096513200000000, -0.0000557400000000, -0.0153139600000000 ]  - [   0.0096814200000000, -0.0000381300000000, -0.0152595600000000 ]  - [  -0.0097971900000000,  0.0002935000000000,  0.0159557400000000 ]  - [  -0.0096452700000000, -0.0000034000000000,  0.0155619700000000 ]  - [  -0.0097026400000000,  0.0000000000000000,  0.0155069400000000 ]  - [  -0.0096769000000000,  0.0000000000000000,  0.0154773400000000 ]  - [  -0.0097971900000000, -0.0002935000000000,  0.0159557400000000 ]  - [  -0.0096452700000000,  0.0000034000000000,  0.0155619700000000 ]  - [  -0.0085924700000000,  0.0038190400000000,  0.0111924200000000 ]  - [  -0.0097521800000000,  0.0001185600000000,  0.0153465600000000 ]  - [  -0.0095536400000000,  0.0000000000000000,  0.0152244600000000 ]  - [  -0.0096824700000000,  0.0000000000000000,  0.0154242700000000 ]  - [  -0.0085924700000000, -0.0038190400000000,  0.0111924200000000 ]  - [  -0.0097521800000000, -0.0001185600000000,  0.0153465600000000 ]  - [  -0.0099722800000000,  0.0001608700000000, -0.0154169600000000 ]  - [  -0.0091430400000000,  0.0004757200000000, -0.0152313400000000 ]  - [  -0.0097172000000000,  0.0000000000000000, -0.0154979600000000 ]  - [  -0.0096543200000000,  0.0000000000000000, -0.0154520600000000 ]  - [  -0.0099722800000000, -0.0001608700000000, -0.0154169600000000 ]  - [  -0.0091430400000000, -0.0004757200000000, -0.0152313400000000 ]  - [  -0.0093956300000000,  0.0000189800000000, -0.0153427200000000 ]  - [  -0.0099567300000000,  0.0000054200000000, -0.0152836700000000 ]  - [  -0.0095941200000000,  0.0000000000000000, -0.0153485600000000 ]  - [  -0.0097749800000000,  0.0000000000000000, -0.0153514200000000 ]  - [  -0.0093956300000000, -0.0000189800000000, -0.0153427200000000 ]  - [  -0.0099567300000000, -0.0000054200000000, -0.0152836700000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0035381700000000, -0.0013225800000000, -0.0129806300000000 ]  - [   0.0042887500000000, -0.0000031700000000, -0.0116540500000000 ]  - [   0.0035381700000000,  0.0013225800000000, -0.0129806300000000 ]  - [   0.0042887500000000,  0.0000031700000000, -0.0116540500000000 ]  - [   0.0039374800000000,  0.0000000000000000, -0.0118126300000000 ]  - [   0.0041879100000000,  0.0000000000000000, -0.0117265600000000 ]  - [   0.0039785300000000, -0.0000059700000000, -0.0116740000000000 ]  - [   0.0041598200000000,  0.0000563800000000, -0.0117252300000000 ]  - [   0.0039785300000000,  0.0000059700000000, -0.0116740000000000 ]  - [   0.0041598200000000, -0.0000563800000000, -0.0117252300000000 ]  - [   0.0040200100000000,  0.0000000000000000, -0.0116622900000000 ]  - [   0.0041609000000000,  0.0000000000000000, -0.0117011600000000 ]  - [   0.0051292800000000,  0.0012004300000000,  0.0113118800000000 ]  - [   0.0046112900000000,  0.0000630200000000,  0.0117027800000000 ]  - [   0.0051292800000000, -0.0012004300000000,  0.0113118800000000 ]  - [   0.0046112900000000, -0.0000630200000000,  0.0117027800000000 ]  - [   0.0041869700000000,  0.0000000000000000,  0.0117219600000000 ]  - [   0.0041774200000000,  0.0000000000000000,  0.0116352700000000 ]  - [   0.0041829900000000, -0.0000156300000000,  0.0117104300000000 ]  - [   0.0041206800000000, -0.0000218900000000,  0.0117075600000000 ]  - [   0.0041829900000000,  0.0000156300000000,  0.0117104300000000 ]  - [   0.0041206800000000,  0.0000218900000000,  0.0117075600000000 ]  - [   0.0041696800000000,  0.0000000000000000,  0.0117546900000000 ]  - [   0.0041116600000000,  0.0000000000000000,  0.0117254600000000 ]  - [  -0.0046065900000000,  0.0000000000000000,  0.0111645300000000 ]  - [  -0.0039848400000000,  0.0000000000000000,  0.0118344300000000 ]  - [  -0.0042608200000000, -0.0000311700000000,  0.0116830600000000 ]  - [  -0.0040487200000000, -0.0000176600000000,  0.0118178700000000 ]  - [  -0.0042608200000000,  0.0000311700000000,  0.0116830600000000 ]  - [  -0.0040487200000000,  0.0000176600000000,  0.0118178700000000 ]  - [  -0.0046078700000000,  0.0000000000000000,  0.0130527700000000 ]  - [  -0.0040106500000000,  0.0000000000000000,  0.0116518700000000 ]  - [  -0.0044065400000000, -0.0003863000000000,  0.0119883100000000 ]  - [  -0.0040429000000000,  0.0000468600000000,  0.0116500500000000 ]  - [  -0.0044065400000000,  0.0003863000000000,  0.0119883100000000 ]  - [  -0.0040429000000000, -0.0000468600000000,  0.0116500500000000 ]  - [  -0.0026485400000000,  0.0000000000000000, -0.0102229000000000 ]  - [  -0.0036500900000000,  0.0000000000000000, -0.0116967800000000 ]  - [  -0.0039883700000000,  0.0004445200000000, -0.0112450900000000 ]  - [  -0.0040939700000000, -0.0000563000000000, -0.0117681300000000 ]  - [  -0.0039883700000000, -0.0004445200000000, -0.0112450900000000 ]  - [  -0.0040939700000000,  0.0000563000000000, -0.0117681300000000 ]  - [  -0.0039287900000000,  0.0000000000000000, -0.0120069100000000 ]  - [  -0.0040933800000000,  0.0000000000000000, -0.0116983300000000 ]  - [  -0.0040752500000000,  0.0000139600000000, -0.0116966100000000 ]  - [  -0.0040753200000000, -0.0000033300000000, -0.0117006200000000 ]  - [  -0.0040752500000000, -0.0000139600000000, -0.0116966100000000 ]  - [  -0.0040753200000000,  0.0000033300000000, -0.0117006200000000 ]  - [  -0.0166258700000000,  0.0000000000000000,  0.0000473300000000 ]  - [  -0.0000896300000000,  0.0000000000000000, -0.0006245900000000 ]  - [  -0.0010686800000000,  0.0000415800000000, -0.0009601800000000 ]  - [  -0.0001256200000000, -0.0000262800000000, -0.0006453900000000 ]  - [  -0.0010686800000000, -0.0000415800000000, -0.0009601800000000 ]  - [  -0.0001256200000000,  0.0000262800000000, -0.0006453900000000 ]  - [  -0.0005025100000000,  0.0000000000000000, -0.0006295200000000 ]  - [  -0.0002210000000000,  0.0000000000000000, -0.0006656400000000 ]  - [  -0.0004870400000000, -0.0000196500000000, -0.0005889900000000 ]  - [  -0.0002486700000000, -0.0000045200000000, -0.0006121400000000 ]  - [  -0.0004870400000000,  0.0000196500000000, -0.0005889900000000 ]  - [  -0.0002486700000000,  0.0000045200000000, -0.0006121400000000 ]  - [   0.0005977200000000,  0.0003376600000000, -0.0008281900000000 ]  - [   0.0004333600000000,  0.0000173300000000, -0.0003275700000000 ]  - [   0.0005977200000000, -0.0003376600000000, -0.0008281900000000 ]  - [   0.0004333600000000, -0.0000173300000000, -0.0003275700000000 ]  - [   0.0003995300000000,  0.0000000000000000, -0.0006835300000000 ]  - [   0.0003194000000000,  0.0000000000000000, -0.0005329300000000 ]  - [   0.0005982600000000, -0.0000446700000000, -0.0003994400000000 ]  - [   0.0004331900000000, -0.0001451400000000, -0.0007056900000000 ]  - [   0.0005982600000000,  0.0000446700000000, -0.0003994400000000 ]  - [   0.0004331900000000,  0.0001451400000000, -0.0007056900000000 ]  - [   0.0004001400000000,  0.0000000000000000, -0.0006046400000000 ]  - [   0.0003195200000000,  0.0000000000000000, -0.0006400500000000 ]  - [   0.0012878200000000,  0.0000000000000000,  0.0000574600000000 ]  - [   0.0012642600000000,  0.0000000000000000,  0.0011048600000000 ]  - [  -0.0000463200000000,  0.0002685200000000,  0.0002676800000000 ]  - [  -0.0000457000000000, -0.0001938000000000,  0.0005430800000000 ]  - [  -0.0000463200000000, -0.0002685200000000,  0.0002676800000000 ]  - [  -0.0000457000000000,  0.0001938000000000,  0.0005430800000000 ]  - [  -0.0002635200000000,  0.0000000000000000,  0.0006352200000000 ]  - [  -0.0002631300000000,  0.0000000000000000,  0.0005646200000000 ]  - [  -0.0002651100000000,  0.0000038400000000,  0.0006602800000000 ]  - [  -0.0002652900000000, -0.0000227900000000,  0.0006627000000000 ]  - [  -0.0002651100000000, -0.0000038400000000,  0.0006602800000000 ]  - [  -0.0002652900000000,  0.0000227900000000,  0.0006627000000000 ]  - [  -0.0005882500000000,  0.0001971500000000,  0.0009009800000000 ]  - [   0.0005397200000000,  0.0000139500000000,  0.0006260700000000 ]  - [  -0.0005882500000000, -0.0001971500000000,  0.0009009800000000 ]  - [   0.0005397200000000, -0.0000139500000000,  0.0006260700000000 ]  - [   0.0000496400000000,  0.0000000000000000,  0.0006601200000000 ]  - [   0.0005020400000000,  0.0000000000000000,  0.0006510800000000 ]  - [  -0.0000544200000000, -0.0001655400000000,  0.0007343700000000 ]  - [   0.0004158100000000, -0.0000115800000000,  0.0006155600000000 ]  - [  -0.0000544200000000,  0.0001655400000000,  0.0007343700000000 ]  - [   0.0004158100000000,  0.0000115800000000,  0.0006155600000000 ]  - [   0.0001451300000000,  0.0000000000000000,  0.0006309600000000 ]  - [   0.0003919100000000,  0.0000000000000000,  0.0006358900000000 ]  - [   0.0122077000000000, -0.0016075900000000,  0.0158917700000000 ]  - [   0.0092126100000000, -0.0001771600000000,  0.0154202100000000 ]  - [   0.0122077000000000,  0.0016075900000000,  0.0158917700000000 ]  - [   0.0092126100000000,  0.0001771600000000,  0.0154202100000000 ]  - [   0.0098436200000000,  0.0000000000000000,  0.0154735000000000 ]  - [   0.0095259200000000,  0.0000000000000000,  0.0154796400000000 ]  - [   0.0097491900000000,  0.0001021300000000,  0.0155424400000000 ]  - [   0.0095974100000000, -0.0000005200000000,  0.0154204200000000 ]  - [   0.0097491900000000, -0.0001021300000000,  0.0155424400000000 ]  - [   0.0095974100000000,  0.0000005200000000,  0.0154204200000000 ]  - [   0.0097366100000000,  0.0000000000000000,  0.0153873700000000 ]  - [   0.0096024600000000,  0.0000000000000000,  0.0153852100000000 ]  - [   0.0114859200000000,  0.0007922900000000, -0.0148606600000000 ]  - [   0.0092663100000000,  0.0000477300000000, -0.0152746700000000 ]  - [   0.0114859200000000, -0.0007922900000000, -0.0148606600000000 ]  - [   0.0092663100000000, -0.0000477300000000, -0.0152746700000000 ]  - [   0.0098775500000000,  0.0000000000000000, -0.0153961100000000 ]  - [   0.0095386300000000,  0.0000000000000000, -0.0153192500000000 ]  - [   0.0098557400000000, -0.0001684100000000, -0.0152072300000000 ]  - [   0.0095713300000000, -0.0000323400000000, -0.0154869200000000 ]  - [   0.0098557400000000,  0.0001684100000000, -0.0152072300000000 ]  - [   0.0095713300000000,  0.0000323400000000, -0.0154869200000000 ]  - [   0.0098109600000000,  0.0000000000000000, -0.0154759500000000 ]  - [   0.0096051900000000,  0.0000000000000000, -0.0155267000000000 ]  - [  -0.0093002000000000,  0.0000000000000000,  0.0150496200000000 ]  - [  -0.0101305500000000,  0.0000000000000000,  0.0155701500000000 ]  - [  -0.0095033900000000, -0.0001079900000000,  0.0151501300000000 ]  - [  -0.0098455200000000,  0.0000549600000000,  0.0154276800000000 ]  - [  -0.0095033900000000,  0.0001079900000000,  0.0151501300000000 ]  - [  -0.0098455200000000, -0.0000549600000000,  0.0154276800000000 ]  - [  -0.0094295600000000,  0.0000000000000000,  0.0167463400000000 ]  - [  -0.0099970500000000,  0.0000000000000000,  0.0153755000000000 ]  - [  -0.0093262000000000, -0.0000852600000000,  0.0155893500000000 ]  - [  -0.0099263300000000,  0.0000346300000000,  0.0154126400000000 ]  - [  -0.0093262000000000,  0.0000852600000000,  0.0155893500000000 ]  - [  -0.0099263300000000, -0.0000346300000000,  0.0154126400000000 ]  - [  -0.0059188900000000,  0.0000000000000000, -0.0187488900000000 ]  - [  -0.0102113000000000,  0.0000000000000000, -0.0156962600000000 ]  - [  -0.0094958500000000,  0.0002968600000000, -0.0153132400000000 ]  - [  -0.0101122000000000, -0.0001721200000000, -0.0156404400000000 ]  - [  -0.0094958500000000, -0.0002968600000000, -0.0153132400000000 ]  - [  -0.0101122000000000,  0.0001721200000000, -0.0156404400000000 ]  - [  -0.0095731300000000,  0.0000000000000000, -0.0156392700000000 ]  - [  -0.0098641600000000,  0.0000000000000000, -0.0153694200000000 ]  - [  -0.0096706900000000,  0.0001437500000000, -0.0156530100000000 ]  - [  -0.0097321700000000, -0.0000241100000000, -0.0154469400000000 ]  - [  -0.0096706900000000, -0.0001437500000000, -0.0156530100000000 ]  - [  -0.0097321700000000,  0.0000241100000000, -0.0154469400000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0046878000000000,  0.0013222700000000, -0.0104417300000000 ]  - [   0.0039426600000000,  0.0000024200000000, -0.0117704700000000 ]  - [   0.0046878000000000, -0.0013222700000000, -0.0104417300000000 ]  - [   0.0039426600000000, -0.0000024200000000, -0.0117704700000000 ]  - [   0.0042993300000000,  0.0000000000000000, -0.0116081400000000 ]  - [   0.0040458800000000,  0.0000000000000000, -0.0116958600000000 ]  - [   0.0042502300000000,  0.0000063600000000, -0.0117480600000000 ]  - [   0.0040710800000000, -0.0000567300000000, -0.0116968500000000 ]  - [   0.0042502300000000, -0.0000063600000000, -0.0117480600000000 ]  - [   0.0040710800000000,  0.0000567300000000, -0.0116968500000000 ]  - [   0.0042106500000000,  0.0000000000000000, -0.0117570400000000 ]  - [   0.0040720800000000,  0.0000000000000000, -0.0117185600000000 ]  - [   0.0030950000000000, -0.0012142100000000,  0.0121131300000000 ]  - [   0.0036198700000000, -0.0000637800000000,  0.0117188500000000 ]  - [   0.0030950000000000,  0.0012142100000000,  0.0121131300000000 ]  - [   0.0036198700000000,  0.0000637800000000,  0.0117188500000000 ]  - [   0.0040472100000000,  0.0000000000000000,  0.0116976100000000 ]  - [   0.0040531500000000,  0.0000000000000000,  0.0117872000000000 ]  - [   0.0040492500000000,  0.0000152600000000,  0.0117122800000000 ]  - [   0.0041100600000000,  0.0000227800000000,  0.0117123500000000 ]  - [   0.0040492500000000, -0.0000152600000000,  0.0117122800000000 ]  - [   0.0041100600000000, -0.0000227800000000,  0.0117123500000000 ]  - [   0.0040601300000000,  0.0000000000000000,  0.0116674600000000 ]  - [   0.0041219000000000,  0.0000000000000000,  0.0116951800000000 ]  - [  -0.0036261500000000,  0.0000000000000000,  0.0122571000000000 ]  - [  -0.0042469800000000,  0.0000000000000000,  0.0115872400000000 ]  - [  -0.0039695100000000,  0.0000304200000000,  0.0117406200000000 ]  - [  -0.0041822200000000,  0.0000173400000000,  0.0116039400000000 ]  - [  -0.0039695100000000, -0.0000304200000000,  0.0117406200000000 ]  - [  -0.0041822200000000, -0.0000173400000000,  0.0116039400000000 ]  - [  -0.0036171100000000,  0.0000000000000000,  0.0103759300000000 ]  - [  -0.0042233000000000,  0.0000000000000000,  0.0117685300000000 ]  - [  -0.0038268300000000,  0.0003859900000000,  0.0114312700000000 ]  - [  -0.0041836300000000, -0.0000463500000000,  0.0117758000000000 ]  - [  -0.0038268300000000, -0.0003859900000000,  0.0114312700000000 ]  - [  -0.0041836300000000,  0.0000463500000000,  0.0117758000000000 ]  - [  -0.0055658000000000,  0.0000000000000000, -0.0131805100000000 ]  - [  -0.0045828200000000,  0.0000000000000000, -0.0117217700000000 ]  - [  -0.0042409700000000, -0.0004452700000000, -0.0121770500000000 ]  - [  -0.0041388600000000,  0.0000564900000000, -0.0116533000000000 ]  - [  -0.0042409700000000,  0.0004452700000000, -0.0121770500000000 ]  - [  -0.0041388600000000, -0.0000564900000000, -0.0116533000000000 ]  - [  -0.0043037900000000,  0.0000000000000000, -0.0114135700000000 ]  - [  -0.0041386200000000,  0.0000000000000000, -0.0117220900000000 ]  - [  -0.0041563400000000, -0.0000139500000000, -0.0117243800000000 ]  - [  -0.0041564800000000,  0.0000038900000000, -0.0117202200000000 ]  - [  -0.0041563400000000,  0.0000139500000000, -0.0117243800000000 ]  - [  -0.0041564800000000, -0.0000038900000000, -0.0117202200000000 ]  - [   0.0159823200000000,  0.0000000000000000, -0.0014362800000000 ]  - [  -0.0005448500000000,  0.0000000000000000, -0.0006329300000000 ]  - [   0.0004322700000000, -0.0000430800000000, -0.0002977300000000 ]  - [  -0.0005083300000000,  0.0000260800000000, -0.0006122000000000 ]  - [   0.0004322700000000,  0.0000430800000000, -0.0002977300000000 ]  - [  -0.0005083300000000, -0.0000260800000000, -0.0006122000000000 ]  - [  -0.0001319000000000,  0.0000000000000000, -0.0006280700000000 ]  - [  -0.0004131000000000,  0.0000000000000000, -0.0005913400000000 ]  - [  -0.0001472200000000,  0.0000196000000000, -0.0006695300000000 ]  - [  -0.0003848600000000,  0.0000055300000000, -0.0006458600000000 ]  - [  -0.0001472200000000, -0.0000196000000000, -0.0006695300000000 ]  - [  -0.0003848600000000, -0.0000055300000000, -0.0006458600000000 ]  - [   0.0000354000000000, -0.0003356800000000, -0.0004305500000000 ]  - [   0.0002012700000000, -0.0000173300000000, -0.0009307700000000 ]  - [   0.0000354000000000,  0.0003356800000000, -0.0004305500000000 ]  - [   0.0002012700000000,  0.0000173300000000, -0.0009307700000000 ]  - [   0.0002339300000000,  0.0000000000000000, -0.0005741900000000 ]  - [   0.0003153900000000,  0.0000000000000000, -0.0007250400000000 ]  - [   0.0000358000000000,  0.0000434700000000, -0.0008578300000000 ]  - [   0.0002010300000000,  0.0001466600000000, -0.0005524900000000 ]  - [   0.0000358000000000, -0.0000434700000000, -0.0008578300000000 ]  - [   0.0002010300000000, -0.0001466600000000, -0.0005524900000000 ]  - [   0.0002336000000000,  0.0000000000000000, -0.0006531200000000 ]  - [   0.0003154100000000,  0.0000000000000000, -0.0006178300000000 ]  - [  -0.0019006800000000,  0.0000000000000000,  0.0011943000000000 ]  - [  -0.0019234000000000,  0.0000000000000000,  0.0001442400000000 ]  - [  -0.0005878800000000, -0.0002698900000000,  0.0009915100000000 ]  - [  -0.0005889300000000,  0.0001929600000000,  0.0007133400000000 ]  - [  -0.0005878800000000,  0.0002698900000000,  0.0009915100000000 ]  - [  -0.0005889300000000, -0.0001929600000000,  0.0007133400000000 ]  - [  -0.0003704900000000,  0.0000000000000000,  0.0006235500000000 ]  - [  -0.0003714100000000,  0.0000000000000000,  0.0006941700000000 ]  - [  -0.0003683900000000, -0.0000041700000000,  0.0005975500000000 ]  - [  -0.0003698400000000,  0.0000228400000000,  0.0005954500000000 ]  - [  -0.0003683900000000,  0.0000041700000000,  0.0005975500000000 ]  - [  -0.0003698400000000, -0.0000228400000000,  0.0005954500000000 ]  - [   0.0012211900000000, -0.0001940100000000,  0.0003518700000000 ]  - [   0.0000946800000000, -0.0000134200000000,  0.0006317900000000 ]  - [   0.0012211900000000,  0.0001940100000000,  0.0003518700000000 ]  - [   0.0000946800000000,  0.0000134200000000,  0.0006317900000000 ]  - [   0.0005850200000000,  0.0000000000000000,  0.0005975300000000 ]  - [   0.0001316600000000,  0.0000000000000000,  0.0006064900000000 ]  - [   0.0006878100000000,  0.0001647600000000,  0.0005240900000000 ]  - [   0.0002189200000000,  0.0000119000000000,  0.0006423200000000 ]  - [   0.0006878100000000, -0.0001647600000000,  0.0005240900000000 ]  - [   0.0002189200000000, -0.0000119000000000,  0.0006423200000000 ]  - [   0.0004871100000000,  0.0000000000000000,  0.0006279500000000 ]  - [   0.0002430000000000,  0.0000000000000000,  0.0006220200000000 ]  - [   0.0072358700000000,  0.0015231100000000,  0.0150051100000000 ]  - [   0.0101635300000000,  0.0001808800000000,  0.0154553400000000 ]  - [   0.0072358700000000, -0.0015231100000000,  0.0150051100000000 ]  - [   0.0101635300000000, -0.0001808800000000,  0.0154553400000000 ]  - [   0.0095343500000000,  0.0000000000000000,  0.0154029200000000 ]  - [   0.0098463000000000,  0.0000000000000000,  0.0153936700000000 ]  - [   0.0096254100000000, -0.0001004400000000,  0.0153321500000000 ]  - [   0.0097768000000000,  0.0000035300000000,  0.0154537600000000 ]  - [   0.0096254100000000,  0.0001004400000000,  0.0153321500000000 ]  - [   0.0097768000000000, -0.0000035300000000,  0.0154537600000000 ]  - [   0.0096384300000000,  0.0000000000000000,  0.0154838400000000 ]  - [   0.0097712900000000,  0.0000000000000000,  0.0154878500000000 ]  - [   0.0078710700000000, -0.0008269000000000, -0.0160360400000000 ]  - [   0.0101069500000000, -0.0000465800000000, -0.0155990700000000 ]  - [   0.0078710700000000,  0.0008269000000000, -0.0160360400000000 ]  - [   0.0101069500000000,  0.0000465800000000, -0.0155990700000000 ]  - [   0.0094973000000000,  0.0000000000000000, -0.0154802700000000 ]  - [   0.0098332800000000,  0.0000000000000000, -0.0155508400000000 ]  - [   0.0095185700000000,  0.0001691200000000, -0.0156674700000000 ]  - [   0.0098031400000000,  0.0000297200000000, -0.0153856200000000 ]  - [   0.0095185700000000, -0.0001691200000000, -0.0156674700000000 ]  - [   0.0098031400000000, -0.0000297200000000, -0.0153856200000000 ]  - [   0.0095650600000000,  0.0000000000000000, -0.0153980100000000 ]  - [   0.0097683800000000,  0.0000000000000000, -0.0153453900000000 ]  - [  -0.0100751200000000,  0.0000000000000000,  0.0158223200000000 ]  - [  -0.0092437600000000,  0.0000000000000000,  0.0153029400000000 ]  - [  -0.0098710200000000,  0.0001093500000000,  0.0157225300000000 ]  - [  -0.0095302400000000, -0.0000561100000000,  0.0154478100000000 ]  - [  -0.0098710200000000, -0.0001093500000000,  0.0157225300000000 ]  - [  -0.0095302400000000,  0.0000561100000000,  0.0154478100000000 ]  - [  -0.0099398400000000,  0.0000000000000000,  0.0141257400000000 ]  - [  -0.0093764300000000,  0.0000000000000000,  0.0154936900000000 ]  - [  -0.0100508300000000,  0.0000825600000000,  0.0152830700000000 ]  - [  -0.0094495500000000, -0.0000333000000000,  0.0154590900000000 ]  - [  -0.0100508300000000, -0.0000825600000000,  0.0152830700000000 ]  - [  -0.0094495500000000,  0.0000333000000000,  0.0154590900000000 ]  - [  -0.0135325400000000,  0.0000000000000000, -0.0120097800000000 ]  - [  -0.0091648600000000,  0.0000000000000000, -0.0151808200000000 ]  - [  -0.0098777800000000, -0.0002991300000000, -0.0155594300000000 ]  - [  -0.0092625900000000,  0.0001754800000000, -0.0152338200000000 ]  - [  -0.0098777800000000,  0.0002991300000000, -0.0155594300000000 ]  - [  -0.0092625900000000, -0.0001754800000000, -0.0152338200000000 ]  - [  -0.0098038800000000,  0.0000000000000000, -0.0152340200000000 ]  - [  -0.0095118600000000,  0.0000000000000000, -0.0155034800000000 ]  - [  -0.0097026100000000, -0.0001434900000000, -0.0152184300000000 ]  - [  -0.0096424800000000,  0.0000260500000000, -0.0154263900000000 ]  - [  -0.0097026100000000,  0.0001434900000000, -0.0152184300000000 ]  - [  -0.0096424800000000, -0.0000260500000000, -0.0154263900000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0028597400000000,  0.0015210000000000, -0.0095404400000000 ]  - [   0.0041275700000000, -0.0000459800000000, -0.0116816200000000 ]  - [   0.0053856900000000,  0.0015342100000000, -0.0139065800000000 ]  - [   0.0041045000000000, -0.0000461000000000, -0.0117392900000000 ]  - [   0.0041163400000000,  0.0001559000000000, -0.0117102100000000 ]  - [   0.0041157000000000,  0.0000980200000000, -0.0117110400000000 ]  - [   0.0041165800000000, -0.0000616800000000, -0.0117344500000000 ]  - [   0.0041109400000000, -0.0000204200000000, -0.0117088200000000 ]  - [   0.0041163900000000, -0.0000619700000000, -0.0116868700000000 ]  - [   0.0041210700000000, -0.0000199500000000, -0.0117138000000000 ]  - [   0.0041158200000000,  0.0001288100000000, -0.0117108300000000 ]  - [   0.0041156400000000,  0.0000458300000000, -0.0117113000000000 ]  - [   0.0053456900000000,  0.0004663000000000,  0.0108833300000000 ]  - [   0.0034505600000000, -0.0001688200000000,  0.0116262100000000 ]  - [   0.0028730500000000,  0.0004682900000000,  0.0125428500000000 ]  - [   0.0047798700000000, -0.0001664000000000,  0.0117975200000000 ]  - [   0.0041165900000000,  0.0001468500000000,  0.0117098200000000 ]  - [   0.0041149700000000,  0.0001423100000000,  0.0117140800000000 ]  - [   0.0041053100000000, -0.0000702000000000,  0.0117403900000000 ]  - [   0.0041190200000000, -0.0000198400000000,  0.0117066200000000 ]  - [   0.0041254500000000, -0.0000714200000000,  0.0116826600000000 ]  - [   0.0041125100000000, -0.0000214400000000,  0.0117152600000000 ]  - [   0.0041155400000000,  0.0001531100000000,  0.0117114800000000 ]  - [   0.0041168300000000,  0.0000404400000000,  0.0117105300000000 ]  - [  -0.0041169300000000,  0.0000660800000000,  0.0117086500000000 ]  - [  -0.0041161600000000,  0.0000014800000000,  0.0117112700000000 ]  - [  -0.0041305200000000, -0.0000044700000000,  0.0117955900000000 ]  - [  -0.0041122700000000, -0.0000090000000000,  0.0118113300000000 ]  - [  -0.0041011900000000, -0.0000042900000000,  0.0116250700000000 ]  - [  -0.0041194800000000, -0.0000094700000000,  0.0116106100000000 ]  - [  -0.0041128200000000, -0.0012654300000000,  0.0117159700000000 ]  - [  -0.0041160000000000, -0.0001501900000000,  0.0117112100000000 ]  - [  -0.0039320800000000,  0.0005479600000000,  0.0115419900000000 ]  - [  -0.0041582800000000,  0.0000711200000000,  0.0117135000000000 ]  - [  -0.0043007600000000,  0.0005483700000000,  0.0118807500000000 ]  - [  -0.0040729000000000,  0.0000706500000000,  0.0117086300000000 ]  - [  -0.0041192300000000, -0.0012274300000000, -0.0117134600000000 ]  - [  -0.0041139400000000, -0.0000002400000000, -0.0117112500000000 ]  - [  -0.0041299200000000,  0.0005833600000000, -0.0114660400000000 ]  - [  -0.0041688800000000,  0.0000453600000000, -0.0117232900000000 ]  - [  -0.0041007200000000,  0.0005821200000000, -0.0119580300000000 ]  - [  -0.0040632800000000,  0.0000452600000000, -0.0116975500000000 ]  - [  -0.0041151700000000,  0.0000675500000000, -0.0117111900000000 ]  - [  -0.0041156900000000, -0.0000185700000000, -0.0117121700000000 ]  - [  -0.0040942300000000, -0.0000135200000000, -0.0118192000000000 ]  - [  -0.0041595300000000,  0.0000105600000000, -0.0117646600000000 ]  - [  -0.0041384100000000, -0.0000128500000000, -0.0116017100000000 ]  - [  -0.0040720100000000,  0.0000098000000000, -0.0116579700000000 ]  - [  -0.0003619500000000, -0.0153568000000000, -0.0005767500000000 ]  - [  -0.0003160600000000, -0.0001694800000000, -0.0006290200000000 ]  - [  -0.0003584600000000,  0.0008414900000000, -0.0005966400000000 ]  - [  -0.0002899600000000,  0.0000834900000000, -0.0006637600000000 ]  - [  -0.0002738500000000,  0.0008354000000000, -0.0006616100000000 ]  - [  -0.0003426400000000,  0.0000836900000000, -0.0005946200000000 ]  - [  -0.0003158900000000, -0.0000022300000000, -0.0006291400000000 ]  - [  -0.0003160700000000, -0.0000337600000000, -0.0006281600000000 ]  - [  -0.0002964800000000, -0.0000010100000000, -0.0006530400000000 ]  - [  -0.0003115200000000,  0.0000174300000000, -0.0006368200000000 ]  - [  -0.0003358600000000, -0.0000017100000000, -0.0006054000000000 ]  - [  -0.0003201100000000,  0.0000171100000000, -0.0006212500000000 ]  - [   0.0002719300000000, -0.0001297700000000, -0.0006252400000000 ]  - [   0.0001698600000000, -0.0000878800000000, -0.0009291200000000 ]  - [   0.0003600600000000, -0.0001322200000000, -0.0006336100000000 ]  - [   0.0004623000000000, -0.0000882400000000, -0.0003282500000000 ]  - [   0.0003158500000000,  0.0001576600000000, -0.0006287800000000 ]  - [   0.0003158400000000,  0.0001616300000000, -0.0006292100000000 ]  - [   0.0006524900000000, -0.0001311800000000, -0.0001905600000000 ]  - [   0.0003324900000000, -0.0000874300000000, -0.0005286100000000 ]  - [  -0.0000205800000000, -0.0001302200000000, -0.0010674600000000 ]  - [   0.0002987500000000, -0.0000887900000000, -0.0007298400000000 ]  - [   0.0003153800000000,  0.0001571400000000, -0.0006290700000000 ]  - [   0.0003157600000000,  0.0001614600000000, -0.0006289700000000 ]  - [  -0.0003180300000000, -0.0008038800000000,  0.0006291300000000 ]  - [  -0.0003141900000000, -0.0008034000000000,  0.0006304400000000 ]  - [  -0.0001227700000000,  0.0003981500000000,  0.0004217100000000 ]  - [  -0.0005851800000000,  0.0003980900000000,  0.0007978900000000 ]  - [  -0.0005098100000000,  0.0003983700000000,  0.0008385100000000 ]  - [  -0.0000463400000000,  0.0003974800000000,  0.0004591500000000 ]  - [  -0.0003156900000000, -0.0000185300000000,  0.0006292800000000 ]  - [  -0.0003156800000000, -0.0000182600000000,  0.0006290800000000 ]  - [  -0.0002934700000000,  0.0000094800000000,  0.0006613300000000 ]  - [  -0.0003203600000000,  0.0000095300000000,  0.0006178200000000 ]  - [  -0.0003384900000000,  0.0000093500000000,  0.0005963000000000 ]  - [  -0.0003117700000000,  0.0000096500000000,  0.0006402800000000 ]  - [   0.0005110900000000,  0.0004120700000000, -0.0007229000000000 ]  - [   0.0003288900000000, -0.0000771900000000,  0.0005672200000000 ]  - [   0.0001211700000000,  0.0004123400000000,  0.0019916500000000 ]  - [   0.0003030400000000, -0.0000774000000000,  0.0006912800000000 ]  - [   0.0003163300000000,  0.0001622800000000,  0.0006292500000000 ]  - [   0.0003158300000000,  0.0001657700000000,  0.0006295400000000 ]  - [   0.0001519100000000, -0.0001051500000000,  0.0008893600000000 ]  - [   0.0003050000000000, -0.0000523100000000,  0.0006698600000000 ]  - [   0.0004818100000000, -0.0001056200000000,  0.0003691800000000 ]  - [   0.0003274500000000, -0.0000525900000000,  0.0005870600000000 ]  - [   0.0003161300000000,  0.0001940900000000,  0.0006289800000000 ]  - [   0.0003162400000000,  0.0001097900000000,  0.0006292500000000 ]  - [   0.0081253300000000,  0.0026272700000000,  0.0150622700000000 ]  - [   0.0094740000000000,  0.0001110000000000,  0.0156679200000000 ]  - [   0.0113399600000000,  0.0027058900000000,  0.0158379100000000 ]  - [   0.0098990100000000,  0.0001071100000000,  0.0152081900000000 ]  - [   0.0096869100000000, -0.0006997100000000,  0.0154374600000000 ]  - [   0.0096870400000000, -0.0001943900000000,  0.0154357200000000 ]  - [   0.0096907600000000,  0.0000782700000000,  0.0154471900000000 ]  - [   0.0096834500000000,  0.0000532100000000,  0.0154238500000000 ]  - [   0.0096853600000000,  0.0000752700000000,  0.0154289000000000 ]  - [   0.0096911000000000,  0.0000512600000000,  0.0154503800000000 ]  - [   0.0096850900000000, -0.0001492000000000,  0.0154336900000000 ]  - [   0.0096883400000000, -0.0001070200000000,  0.0154358000000000 ]  - [   0.0105933900000000,  0.0021697300000000, -0.0145142700000000 ]  - [   0.0099901100000000,  0.0001108500000000, -0.0156736900000000 ]  - [   0.0087265400000000,  0.0022395000000000, -0.0164236800000000 ]  - [   0.0093817900000000,  0.0001122800000000, -0.0151977000000000 ]  - [   0.0096863500000000, -0.0007031600000000, -0.0154363300000000 ]  - [   0.0096883200000000, -0.0002018200000000, -0.0154373400000000 ]  - [   0.0096714200000000,  0.0001002800000000, -0.0154772800000000 ]  - [   0.0096845100000000,  0.0000462500000000, -0.0154180900000000 ]  - [   0.0097006900000000,  0.0000995100000000, -0.0153949300000000 ]  - [   0.0096887700000000,  0.0000473300000000, -0.0154551100000000 ]  - [   0.0096880100000000, -0.0001673600000000, -0.0154355700000000 ]  - [   0.0096880600000000, -0.0000994400000000, -0.0154375900000000 ]  - [  -0.0096862900000000,  0.0003420000000000,  0.0154342300000000 ]  - [  -0.0096868700000000,  0.0000227500000000,  0.0154337000000000 ]  - [  -0.0096501700000000, -0.0001708000000000,  0.0151720600000000 ]  - [  -0.0097008200000000, -0.0000229900000000,  0.0153428800000000 ]  - [  -0.0097252000000000, -0.0001754600000000,  0.0157015100000000 ]  - [  -0.0096744700000000, -0.0000241700000000,  0.0155315500000000 ]  - [  -0.0096867600000000,  0.0009564000000000,  0.0154347800000000 ]  - [  -0.0096853800000000,  0.0003571200000000,  0.0154357600000000 ]  - [  -0.0098952600000000, -0.0003773100000000,  0.0157799500000000 ]  - [  -0.0095023700000000, -0.0001989100000000,  0.0155180100000000 ]  - [  -0.0094793300000000, -0.0003761700000000,  0.0150951600000000 ]  - [  -0.0098726100000000, -0.0002018100000000,  0.0153575700000000 ]  - [  -0.0096789800000000,  0.0011705100000000, -0.0154468300000000 ]  - [  -0.0096887600000000,  0.0005730400000000, -0.0154379400000000 ]  - [  -0.0094794700000000, -0.0003051900000000, -0.0157179000000000 ]  - [  -0.0100338100000000, -0.0003581000000000, -0.0156501900000000 ]  - [  -0.0098928400000000, -0.0003072600000000, -0.0151548800000000 ]  - [  -0.0093386700000000, -0.0003569200000000, -0.0152214900000000 ]  - [  -0.0096869800000000,  0.0003732800000000, -0.0154355800000000 ]  - [  -0.0096887900000000,  0.0000546900000000, -0.0154391600000000 ]  - [  -0.0096511500000000, -0.0002183700000000, -0.0151036200000000 ]  - [  -0.0096949000000000, -0.0000293300000000, -0.0153485400000000 ]  - [  -0.0097230800000000, -0.0002214300000000, -0.0157732000000000 ]  - [  -0.0096766900000000, -0.0000274000000000, -0.0155247800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0029352400000000,  0.0021480900000000, -0.0110428500000000 ]  - [   0.0041833000000000,  0.0000155500000000, -0.0118313700000000 ]  - [   0.0029352400000000, -0.0021480900000000, -0.0110428500000000 ]  - [   0.0041833000000000, -0.0000155500000000, -0.0118313700000000 ]  - [   0.0040456300000000,  0.0000000000000000, -0.0118696400000000 ]  - [   0.0041245500000000,  0.0000000000000000, -0.0117941800000000 ]  - [   0.0041356100000000, -0.0001384200000000, -0.0115575300000000 ]  - [   0.0041192000000000, -0.0000888600000000, -0.0116156200000000 ]  - [   0.0041356100000000,  0.0001384200000000, -0.0115575300000000 ]  - [   0.0041192000000000,  0.0000888600000000, -0.0116156200000000 ]  - [   0.0041081700000000,  0.0000000000000000, -0.0116354700000000 ]  - [   0.0041166400000000,  0.0000000000000000, -0.0116491500000000 ]  - [   0.0036949100000000, -0.0008423500000000,  0.0108271700000000 ]  - [   0.0043131200000000,  0.0000402800000000,  0.0117806900000000 ]  - [   0.0036949100000000,  0.0008423500000000,  0.0108271700000000 ]  - [   0.0043131200000000, -0.0000402800000000,  0.0117806900000000 ]  - [   0.0041128700000000,  0.0000000000000000,  0.0114657700000000 ]  - [   0.0041357700000000,  0.0000000000000000,  0.0116605600000000 ]  - [   0.0041026600000000,  0.0000687700000000,  0.0118731700000000 ]  - [   0.0040992800000000,  0.0000468800000000,  0.0117985800000000 ]  - [   0.0041026600000000, -0.0000687700000000,  0.0118731700000000 ]  - [   0.0040992800000000, -0.0000468800000000,  0.0117985800000000 ]  - [   0.0041327300000000,  0.0000000000000000,  0.0117915500000000 ]  - [   0.0041062900000000,  0.0000000000000000,  0.0117648200000000 ]  - [  -0.0039736700000000,  0.0000000000000000,  0.0123051300000000 ]  - [  -0.0042023900000000,  0.0000000000000000,  0.0117473000000000 ]  - [  -0.0041246400000000,  0.0000510300000000,  0.0117225200000000 ]  - [  -0.0041229800000000,  0.0000035100000000,  0.0117372300000000 ]  - [  -0.0041246400000000, -0.0000510300000000,  0.0117225200000000 ]  - [  -0.0041229800000000, -0.0000035100000000,  0.0117372300000000 ]  - [  -0.0028638600000000,  0.0000000000000000,  0.0147657700000000 ]  - [  -0.0041309200000000,  0.0000000000000000,  0.0116191700000000 ]  - [  -0.0042786700000000, -0.0002249800000000,  0.0120463400000000 ]  - [  -0.0040748100000000,  0.0000233900000000,  0.0116765100000000 ]  - [  -0.0042786700000000,  0.0002249800000000,  0.0120463400000000 ]  - [  -0.0040748100000000, -0.0000233900000000,  0.0116765100000000 ]  - [  -0.0025881200000000,  0.0000000000000000, -0.0110830600000000 ]  - [  -0.0048626000000000,  0.0000000000000000, -0.0119628000000000 ]  - [  -0.0040939200000000,  0.0000699300000000, -0.0115121800000000 ]  - [  -0.0041612200000000,  0.0000209300000000, -0.0117211300000000 ]  - [  -0.0040939200000000, -0.0000699300000000, -0.0115121800000000 ]  - [  -0.0041612200000000, -0.0000209300000000, -0.0117211300000000 ]  - [  -0.0042752600000000,  0.0000000000000000, -0.0110766700000000 ]  - [  -0.0040277600000000,  0.0000000000000000, -0.0116836800000000 ]  - [  -0.0041199900000000, -0.0000120000000000, -0.0116526000000000 ]  - [  -0.0040777600000000,  0.0000015500000000, -0.0116856000000000 ]  - [  -0.0041199900000000,  0.0000120000000000, -0.0116526000000000 ]  - [  -0.0040777600000000, -0.0000015500000000, -0.0116856000000000 ]  - [   0.0005288200000000,  0.0000000000000000, -0.0163488500000000 ]  - [  -0.0003121600000000,  0.0000000000000000, -0.0007094200000000 ]  - [  -0.0006474000000000, -0.0000336100000000, -0.0010105500000000 ]  - [  -0.0003323800000000,  0.0000345900000000, -0.0006907400000000 ]  - [  -0.0006474000000000,  0.0000336100000000, -0.0010105500000000 ]  - [  -0.0003323800000000, -0.0000345900000000, -0.0006907400000000 ]  - [  -0.0003166400000000,  0.0000000000000000, -0.0003841200000000 ]  - [  -0.0003533300000000,  0.0000000000000000, -0.0004615800000000 ]  - [  -0.0002759500000000,  0.0000240000000000, -0.0005264900000000 ]  - [  -0.0002993100000000,  0.0000079700000000, -0.0005647900000000 ]  - [  -0.0002759500000000, -0.0000240000000000, -0.0005264900000000 ]  - [  -0.0002993100000000, -0.0000079700000000, -0.0005647900000000 ]  - [   0.0000860900000000, -0.0004377600000000, -0.0003692200000000 ]  - [   0.0003933200000000, -0.0001006500000000, -0.0006245900000000 ]  - [   0.0000860900000000,  0.0004377600000000, -0.0003692200000000 ]  - [   0.0003933200000000,  0.0001006500000000, -0.0006245900000000 ]  - [   0.0002907600000000,  0.0000000000000000, -0.0005774600000000 ]  - [   0.0003272100000000,  0.0000000000000000, -0.0006175000000000 ]  - [   0.0005149800000000, -0.0000048200000000, -0.0003673700000000 ]  - [   0.0000157200000000,  0.0002996800000000, -0.0006228200000000 ]  - [   0.0005149800000000,  0.0000048200000000, -0.0003673700000000 ]  - [   0.0000157200000000, -0.0002996800000000, -0.0006228200000000 ]  - [   0.0003698300000000,  0.0000000000000000, -0.0005772400000000 ]  - [   0.0002203200000000,  0.0000000000000000, -0.0006163700000000 ]  - [  -0.0007970100000000,  0.0000000000000000,  0.0001335600000000 ]  - [   0.0002539200000000,  0.0000000000000000,  0.0001318800000000 ]  - [  -0.0002307800000000,  0.0001695900000000,  0.0003824800000000 ]  - [   0.0000457200000000, -0.0002090600000000,  0.0003811300000000 ]  - [  -0.0002307800000000, -0.0001695900000000,  0.0003824800000000 ]  - [   0.0000457200000000,  0.0002090600000000,  0.0003811300000000 ]  - [  -0.0002493400000000,  0.0000000000000000,  0.0008541600000000 ]  - [  -0.0003209600000000,  0.0000000000000000,  0.0008547300000000 ]  - [  -0.0003481200000000, -0.0000109300000000,  0.0007139500000000 ]  - [  -0.0003470100000000,  0.0000332700000000,  0.0007142800000000 ]  - [  -0.0003481200000000,  0.0000109300000000,  0.0007139500000000 ]  - [  -0.0003470100000000, -0.0000332700000000,  0.0007142800000000 ]  - [   0.0005915400000000, -0.0013659800000000,  0.0018797200000000 ]  - [   0.0003118700000000, -0.0000620100000000,  0.0006100200000000 ]  - [   0.0005915400000000,  0.0013659800000000,  0.0018797200000000 ]  - [   0.0003118700000000,  0.0000620100000000,  0.0006100200000000 ]  - [   0.0003477500000000,  0.0000000000000000,  0.0006598100000000 ]  - [   0.0003373300000000,  0.0000000000000000,  0.0006171700000000 ]  - [   0.0004196300000000,  0.0002591300000000,  0.0009263100000000 ]  - [   0.0003028900000000,  0.0000416700000000,  0.0006211900000000 ]  - [   0.0004196300000000, -0.0002591300000000,  0.0009263100000000 ]  - [   0.0003028900000000, -0.0000416700000000,  0.0006211900000000 ]  - [   0.0003164100000000,  0.0000000000000000,  0.0007094200000000 ]  - [   0.0003223700000000,  0.0000000000000000,  0.0006539000000000 ]  - [   0.0100529600000000, -0.0003015400000000,  0.0166386800000000 ]  - [   0.0097931100000000,  0.0002600200000000,  0.0159120400000000 ]  - [   0.0100529600000000,  0.0003015400000000,  0.0166386800000000 ]  - [   0.0097931100000000, -0.0002600200000000,  0.0159120400000000 ]  - [   0.0097557800000000,  0.0000000000000000,  0.0155470900000000 ]  - [   0.0096874900000000,  0.0000000000000000,  0.0155939400000000 ]  - [   0.0096751100000000, -0.0001007900000000,  0.0150064800000000 ]  - [   0.0096661900000000, -0.0000236600000000,  0.0152653100000000 ]  - [   0.0096751100000000,  0.0001007900000000,  0.0150064800000000 ]  - [   0.0096661900000000,  0.0000236600000000,  0.0152653100000000 ]  - [   0.0096940900000000,  0.0000000000000000,  0.0153069200000000 ]  - [   0.0096575600000000,  0.0000000000000000,  0.0153349500000000 ]  - [   0.0102780200000000,  0.0008539800000000, -0.0136527000000000 ]  - [   0.0096364700000000, -0.0000825900000000, -0.0151472800000000 ]  - [   0.0102780200000000, -0.0008539800000000, -0.0136527000000000 ]  - [   0.0096364700000000,  0.0000825900000000, -0.0151472800000000 ]  - [   0.0097580300000000,  0.0000000000000000, -0.0153078700000000 ]  - [   0.0096753300000000,  0.0000000000000000, -0.0153093300000000 ]  - [   0.0096891000000000,  0.0001755000000000, -0.0158509800000000 ]  - [   0.0097262600000000,  0.0000731300000000, -0.0156104100000000 ]  - [   0.0096891000000000, -0.0001755000000000, -0.0158509800000000 ]  - [   0.0097262600000000, -0.0000731300000000, -0.0156104100000000 ]  - [   0.0097085000000000,  0.0000000000000000, -0.0155629800000000 ]  - [   0.0097019100000000,  0.0000000000000000, -0.0155374300000000 ]  - [  -0.0100407200000000,  0.0000000000000000,  0.0147473200000000 ]  - [  -0.0092298300000000,  0.0000000000000000,  0.0151108400000000 ]  - [  -0.0097120300000000, -0.0000812100000000,  0.0153246500000000 ]  - [  -0.0096667100000000, -0.0000545700000000,  0.0153848500000000 ]  - [  -0.0097120300000000,  0.0000812100000000,  0.0153246500000000 ]  - [  -0.0096667100000000,  0.0000545700000000,  0.0153848500000000 ]  - [  -0.0085641000000000,  0.0000000000000000,  0.0138300800000000 ]  - [  -0.0099191000000000,  0.0000000000000000,  0.0154867000000000 ]  - [  -0.0094760200000000,  0.0002460600000000,  0.0154784100000000 ]  - [  -0.0098882500000000,  0.0000458400000000,  0.0154414700000000 ]  - [  -0.0094760200000000, -0.0002460600000000,  0.0154784100000000 ]  - [  -0.0098882500000000, -0.0000458400000000,  0.0154414700000000 ]  - [  -0.0131321500000000,  0.0000000000000000, -0.0101174300000000 ]  - [  -0.0098486200000000,  0.0000000000000000, -0.0154223500000000 ]  - [  -0.0096156000000000, -0.0003279200000000, -0.0151983600000000 ]  - [  -0.0097572600000000, -0.0000523600000000, -0.0154904900000000 ]  - [  -0.0096156000000000,  0.0003279200000000, -0.0151983600000000 ]  - [  -0.0097572600000000,  0.0000523600000000, -0.0154904900000000 ]  - [  -0.0099363200000000,  0.0000000000000000, -0.0159061100000000 ]  - [  -0.0093630100000000,  0.0000000000000000, -0.0156860300000000 ]  - [  -0.0097316500000000,  0.0000552300000000, -0.0156824100000000 ]  - [  -0.0096639600000000,  0.0000160400000000, -0.0155130100000000 ]  - [  -0.0097316500000000, -0.0000552300000000, -0.0156824100000000 ]  - [  -0.0096639600000000, -0.0000160400000000, -0.0155130100000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0053043000000000, -0.0021682200000000, -0.0123781500000000 ]  - [   0.0040463600000000, -0.0000161100000000, -0.0115921100000000 ]  - [   0.0053043000000000,  0.0021682200000000, -0.0123781500000000 ]  - [   0.0040463600000000,  0.0000161100000000, -0.0115921100000000 ]  - [   0.0041839600000000,  0.0000000000000000, -0.0115530600000000 ]  - [   0.0041044300000000,  0.0000000000000000, -0.0116304800000000 ]  - [   0.0040942500000000,  0.0001371700000000, -0.0118646100000000 ]  - [   0.0041105400000000,  0.0000891000000000, -0.0118083000000000 ]  - [   0.0040942500000000, -0.0001371700000000, -0.0118646100000000 ]  - [   0.0041105400000000, -0.0000891000000000, -0.0118083000000000 ]  - [   0.0041215900000000,  0.0000000000000000, -0.0117866600000000 ]  - [   0.0041132000000000,  0.0000000000000000, -0.0117735800000000 ]  - [   0.0045363900000000,  0.0008442800000000,  0.0125926600000000 ]  - [   0.0039155300000000, -0.0000420000000000,  0.0116426400000000 ]  - [   0.0045363900000000, -0.0008442800000000,  0.0125926600000000 ]  - [   0.0039155300000000,  0.0000420000000000,  0.0116426400000000 ]  - [   0.0041171900000000,  0.0000000000000000,  0.0119562400000000 ]  - [   0.0040951400000000,  0.0000000000000000,  0.0117624900000000 ]  - [   0.0041270000000000, -0.0000692900000000,  0.0115477000000000 ]  - [   0.0041301300000000, -0.0000465500000000,  0.0116244300000000 ]  - [   0.0041270000000000,  0.0000692900000000,  0.0115477000000000 ]  - [   0.0041301300000000,  0.0000465500000000,  0.0116244300000000 ]  - [   0.0040966900000000,  0.0000000000000000,  0.0116320900000000 ]  - [   0.0041239900000000,  0.0000000000000000,  0.0116565400000000 ]  - [  -0.0042607700000000,  0.0000000000000000,  0.0111164400000000 ]  - [  -0.0040266700000000,  0.0000000000000000,  0.0116771700000000 ]  - [  -0.0041057800000000, -0.0000504700000000,  0.0117005600000000 ]  - [  -0.0041068300000000, -0.0000024000000000,  0.0116845100000000 ]  - [  -0.0041057800000000,  0.0000504700000000,  0.0117005600000000 ]  - [  -0.0041068300000000,  0.0000024000000000,  0.0116845100000000 ]  - [  -0.0053894000000000,  0.0000000000000000,  0.0086063400000000 ]  - [  -0.0040965800000000,  0.0000000000000000,  0.0118055100000000 ]  - [  -0.0039529100000000,  0.0002232100000000,  0.0113746000000000 ]  - [  -0.0041530700000000, -0.0000242000000000,  0.0117464400000000 ]  - [  -0.0039529100000000, -0.0002232100000000,  0.0113746000000000 ]  - [  -0.0041530700000000,  0.0000242000000000,  0.0117464400000000 ]  - [  -0.0056282800000000,  0.0000000000000000, -0.0123396700000000 ]  - [  -0.0033670100000000,  0.0000000000000000, -0.0114572600000000 ]  - [  -0.0041350300000000, -0.0000710400000000, -0.0119131100000000 ]  - [  -0.0040691000000000, -0.0000216300000000, -0.0117014500000000 ]  - [  -0.0041350300000000,  0.0000710400000000, -0.0119131100000000 ]  - [  -0.0040691000000000,  0.0000216300000000, -0.0117014500000000 ]  - [  -0.0039526100000000,  0.0000000000000000, -0.0123484700000000 ]  - [  -0.0042018200000000,  0.0000000000000000, -0.0117385900000000 ]  - [  -0.0041105300000000,  0.0000122000000000, -0.0117689100000000 ]  - [  -0.0041534600000000, -0.0000019500000000, -0.0117339400000000 ]  - [  -0.0041105300000000, -0.0000122000000000, -0.0117689100000000 ]  - [  -0.0041534600000000,  0.0000019500000000, -0.0117339400000000 ]  - [  -0.0009544700000000,  0.0000000000000000,  0.0150223300000000 ]  - [  -0.0003191200000000,  0.0000000000000000, -0.0005500800000000 ]  - [   0.0000159900000000,  0.0000317900000000, -0.0002475300000000 ]  - [  -0.0002991900000000, -0.0000346700000000, -0.0005678000000000 ]  - [   0.0000159900000000, -0.0000317900000000, -0.0002475300000000 ]  - [  -0.0002991900000000,  0.0000346700000000, -0.0005678000000000 ]  - [  -0.0003158400000000,  0.0000000000000000, -0.0008750400000000 ]  - [  -0.0002790300000000,  0.0000000000000000, -0.0007977000000000 ]  - [  -0.0003566200000000, -0.0000229800000000, -0.0007337400000000 ]  - [  -0.0003325400000000, -0.0000072400000000, -0.0006947200000000 ]  - [  -0.0003566200000000,  0.0000229800000000, -0.0007337400000000 ]  - [  -0.0003325400000000,  0.0000072400000000, -0.0006947200000000 ]  - [   0.0005451700000000,  0.0004393600000000, -0.0008909100000000 ]  - [   0.0002394900000000,  0.0001003700000000, -0.0006369900000000 ]  - [   0.0005451700000000, -0.0004393600000000, -0.0008909100000000 ]  - [   0.0002394900000000, -0.0001003700000000, -0.0006369900000000 ]  - [   0.0003408900000000,  0.0000000000000000, -0.0006820000000000 ]  - [   0.0003046800000000,  0.0000000000000000, -0.0006428800000000 ]  - [   0.0001168000000000,  0.0000040300000000, -0.0008907100000000 ]  - [   0.0006183600000000, -0.0003012300000000, -0.0006364200000000 ]  - [   0.0001168000000000, -0.0000040300000000, -0.0008907100000000 ]  - [   0.0006183600000000,  0.0003012300000000, -0.0006364200000000 ]  - [   0.0002608600000000,  0.0000000000000000, -0.0006824000000000 ]  - [   0.0004115600000000,  0.0000000000000000, -0.0006430200000000 ]  - [   0.0001626100000000,  0.0000000000000000,  0.0011321700000000 ]  - [  -0.0008836900000000,  0.0000000000000000,  0.0011293500000000 ]  - [  -0.0004017200000000, -0.0001698800000000,  0.0008790700000000 ]  - [  -0.0006778700000000,  0.0002079800000000,  0.0008775500000000 ]  - [  -0.0004017200000000,  0.0001698800000000,  0.0008790700000000 ]  - [  -0.0006778700000000, -0.0002079800000000,  0.0008775500000000 ]  - [  -0.0003797400000000,  0.0000000000000000,  0.0004055700000000 ]  - [  -0.0003108500000000,  0.0000000000000000,  0.0004053600000000 ]  - [  -0.0002826100000000,  0.0000116000000000,  0.0005448200000000 ]  - [  -0.0002847200000000, -0.0000326600000000,  0.0005450900000000 ]  - [  -0.0002826100000000, -0.0000116000000000,  0.0005448200000000 ]  - [  -0.0002847200000000,  0.0000326600000000,  0.0005450900000000 ]  - [   0.0000419300000000,  0.0013490500000000, -0.0006089400000000 ]  - [   0.0003188400000000,  0.0000621300000000,  0.0006499300000000 ]  - [   0.0000419300000000, -0.0013490500000000, -0.0006089400000000 ]  - [   0.0003188400000000, -0.0000621300000000,  0.0006499300000000 ]  - [   0.0002850400000000,  0.0000000000000000,  0.0005993700000000 ]  - [   0.0002935200000000,  0.0000000000000000,  0.0006417900000000 ]  - [   0.0002104400000000, -0.0002609600000000,  0.0003326900000000 ]  - [   0.0003308100000000, -0.0000415200000000,  0.0006375500000000 ]  - [   0.0002104400000000,  0.0002609600000000,  0.0003326900000000 ]  - [   0.0003308100000000,  0.0000415200000000,  0.0006375500000000 ]  - [   0.0003153500000000,  0.0000000000000000,  0.0005490500000000 ]  - [   0.0003109400000000,  0.0000000000000000,  0.0006059100000000 ]  - [   0.0093204400000000,  0.0003067600000000,  0.0142338800000000 ]  - [   0.0095860100000000, -0.0002608200000000,  0.0149637000000000 ]  - [   0.0093204400000000, -0.0003067600000000,  0.0142338800000000 ]  - [   0.0095860100000000,  0.0002608200000000,  0.0149637000000000 ]  - [   0.0096212400000000,  0.0000000000000000,  0.0153279900000000 ]  - [   0.0096917000000000,  0.0000000000000000,  0.0152825600000000 ]  - [   0.0097030600000000,  0.0001037900000000,  0.0158682600000000 ]  - [   0.0097128000000000,  0.0000272600000000,  0.0156086900000000 ]  - [   0.0097030600000000, -0.0001037900000000,  0.0158682600000000 ]  - [   0.0097128000000000, -0.0000272600000000,  0.0156086900000000 ]  - [   0.0096831900000000,  0.0000000000000000,  0.0155655600000000 ]  - [   0.0097204700000000,  0.0000000000000000,  0.0155373700000000 ]  - [   0.0090736700000000, -0.0008932200000000, -0.0172463700000000 ]  - [   0.0097396400000000,  0.0000818400000000, -0.0157289300000000 ]  - [   0.0090736700000000,  0.0008932200000000, -0.0172463700000000 ]  - [   0.0097396400000000, -0.0000818400000000, -0.0157289300000000 ]  - [   0.0096204500000000,  0.0000000000000000, -0.0155674700000000 ]  - [   0.0097024500000000,  0.0000000000000000, -0.0155672800000000 ]  - [   0.0096890900000000, -0.0001766900000000, -0.0150209300000000 ]  - [   0.0096516800000000, -0.0000719000000000, -0.0152614600000000 ]  - [   0.0096890900000000,  0.0001766900000000, -0.0150209300000000 ]  - [   0.0096516800000000,  0.0000719000000000, -0.0152614600000000 ]  - [   0.0096697300000000,  0.0000000000000000, -0.0153112900000000 ]  - [   0.0096751500000000,  0.0000000000000000, -0.0153343100000000 ]  - [  -0.0093388900000000,  0.0000000000000000,  0.0161216800000000 ]  - [  -0.0101503200000000,  0.0000000000000000,  0.0157672200000000 ]  - [  -0.0096671300000000,  0.0000801800000000,  0.0155510400000000 ]  - [  -0.0097104500000000,  0.0000535500000000,  0.0154906700000000 ]  - [  -0.0096671300000000, -0.0000801800000000,  0.0155510400000000 ]  - [  -0.0097104500000000, -0.0000535500000000,  0.0154906700000000 ]  - [  -0.0108168800000000,  0.0000000000000000,  0.0170404900000000 ]  - [  -0.0094586100000000,  0.0000000000000000,  0.0153833700000000 ]  - [  -0.0099018800000000, -0.0002461500000000,  0.0153945600000000 ]  - [  -0.0094919300000000, -0.0000457500000000,  0.0154321400000000 ]  - [  -0.0099018800000000,  0.0002461500000000,  0.0153945600000000 ]  - [  -0.0094919300000000,  0.0000457500000000,  0.0154321400000000 ]  - [  -0.0064027200000000,  0.0000000000000000, -0.0206025800000000 ]  - [  -0.0095284500000000,  0.0000000000000000, -0.0154508600000000 ]  - [  -0.0097616900000000,  0.0003277900000000, -0.0156757100000000 ]  - [  -0.0096187100000000,  0.0000532900000000, -0.0153839500000000 ]  - [  -0.0097616900000000, -0.0003277900000000, -0.0156757100000000 ]  - [  -0.0096187100000000, -0.0000532900000000, -0.0153839500000000 ]  - [  -0.0094411200000000,  0.0000000000000000, -0.0149684700000000 ]  - [  -0.0100194000000000,  0.0000000000000000, -0.0151902200000000 ]  - [  -0.0096443700000000, -0.0000545400000000, -0.0151936900000000 ]  - [  -0.0097124400000000, -0.0000173200000000, -0.0153621500000000 ]  - [  -0.0096443700000000,  0.0000545400000000, -0.0151936900000000 ]  - [  -0.0097124400000000,  0.0000173200000000, -0.0153621500000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0064600100000000,  0.0000000000000000, -0.0095818000000000 ]  - [   0.0033565700000000,  0.0000000000000000, -0.0118666900000000 ]  - [   0.0041626300000000,  0.0000707300000000, -0.0116676400000000 ]  - [   0.0040565600000000, -0.0000204700000000, -0.0117477300000000 ]  - [   0.0041626300000000, -0.0000707300000000, -0.0116676400000000 ]  - [   0.0040565600000000,  0.0000204700000000, -0.0117477300000000 ]  - [   0.0041165300000000,  0.0000000000000000, -0.0117038300000000 ]  - [   0.0041051200000000,  0.0000000000000000, -0.0117330300000000 ]  - [   0.0040906800000000,  0.0000242400000000, -0.0117137700000000 ]  - [   0.0040819800000000, -0.0000086800000000, -0.0117306300000000 ]  - [   0.0040906800000000, -0.0000242400000000, -0.0117137700000000 ]  - [   0.0040819800000000,  0.0000086800000000, -0.0117306300000000 ]  - [   0.0032030800000000,  0.0000000000000000,  0.0118420200000000 ]  - [   0.0133232700000000,  0.0000000000000000,  0.0124831600000000 ]  - [   0.0039947400000000,  0.0002375800000000,  0.0115188700000000 ]  - [   0.0044054300000000, -0.0003881300000000,  0.0120098900000000 ]  - [   0.0039947400000000, -0.0002375800000000,  0.0115188700000000 ]  - [   0.0044054300000000,  0.0003881300000000,  0.0120098900000000 ]  - [   0.0040348800000000,  0.0000000000000000,  0.0116965700000000 ]  - [   0.0042159500000000,  0.0000000000000000,  0.0116799200000000 ]  - [   0.0040348100000000,  0.0000399700000000,  0.0117085700000000 ]  - [   0.0042089300000000, -0.0000170500000000,  0.0116755100000000 ]  - [   0.0040348100000000, -0.0000399700000000,  0.0117085700000000 ]  - [   0.0042089300000000,  0.0000170500000000,  0.0116755100000000 ]  - [  -0.0039692100000000,  0.0000195300000000,  0.0119965000000000 ]  - [  -0.0042897500000000,  0.0001245700000000,  0.0111649700000000 ]  - [  -0.0040617900000000,  0.0000000000000000,  0.0117453400000000 ]  - [  -0.0041823200000000,  0.0000000000000000,  0.0116778900000000 ]  - [  -0.0039692100000000, -0.0000195300000000,  0.0119965000000000 ]  - [  -0.0042897500000000, -0.0001245700000000,  0.0111649700000000 ]  - [  -0.0039181100000000,  0.0004312700000000,  0.0114187300000000 ]  - [  -0.0041797000000000, -0.0004992000000000,  0.0119803800000000 ]  - [  -0.0040448500000000,  0.0000000000000000,  0.0116248500000000 ]  - [  -0.0041830800000000,  0.0000000000000000,  0.0117980400000000 ]  - [  -0.0039181100000000, -0.0004312700000000,  0.0114187300000000 ]  - [  -0.0041797000000000,  0.0004992000000000,  0.0119803800000000 ]  - [  -0.0018776300000000,  0.0016570100000000, -0.0106295600000000 ]  - [  -0.0045508400000000, -0.0000792300000000, -0.0117759000000000 ]  - [  -0.0040966900000000,  0.0000000000000000, -0.0115753200000000 ]  - [  -0.0041860100000000,  0.0000000000000000, -0.0117065400000000 ]  - [  -0.0018776300000000, -0.0016570100000000, -0.0106295600000000 ]  - [  -0.0045508400000000,  0.0000792300000000, -0.0117759000000000 ]  - [  -0.0040017300000000, -0.0000162500000000, -0.0118214200000000 ]  - [  -0.0041992400000000,  0.0000158100000000, -0.0116695300000000 ]  - [  -0.0040637100000000,  0.0000000000000000, -0.0117234000000000 ]  - [  -0.0041607100000000,  0.0000000000000000, -0.0116996600000000 ]  - [  -0.0040017300000000,  0.0000162500000000, -0.0118214200000000 ]  - [  -0.0041992400000000, -0.0000158100000000, -0.0116695300000000 ]  - [   0.0021359900000000, -0.0015612900000000, -0.0002783000000000 ]  - [  -0.0007924600000000, -0.0002137600000000, -0.0005290700000000 ]  - [  -0.0001659900000000,  0.0000000000000000, -0.0005636200000000 ]  - [  -0.0004745100000000,  0.0000000000000000, -0.0006330300000000 ]  - [   0.0021359900000000,  0.0015612900000000, -0.0002783000000000 ]  - [  -0.0007924600000000,  0.0002137600000000, -0.0005290700000000 ]  - [  -0.0002571700000000,  0.0000026800000000, -0.0006455400000000 ]  - [  -0.0004054200000000, -0.0000042300000000, -0.0006540900000000 ]  - [  -0.0002696400000000,  0.0000000000000000, -0.0006272600000000 ]  - [  -0.0004036700000000,  0.0000000000000000, -0.0006625000000000 ]  - [  -0.0002571700000000, -0.0000026800000000, -0.0006455400000000 ]  - [  -0.0004054200000000,  0.0000042300000000, -0.0006540900000000 ]  - [   0.0000072300000000,  0.0000000000000000, -0.0004019400000000 ]  - [   0.0005746200000000,  0.0000000000000000, -0.0017576300000000 ]  - [   0.0000813700000000,  0.0001837700000000, -0.0004328400000000 ]  - [   0.0006811900000000, -0.0002081800000000, -0.0008450100000000 ]  - [   0.0000813700000000, -0.0001837700000000, -0.0004328400000000 ]  - [   0.0006811900000000,  0.0002081800000000, -0.0008450100000000 ]  - [  -0.0001284900000000,  0.0000000000000000, -0.0010897100000000 ]  - [   0.0007069800000000,  0.0000000000000000, -0.0002813800000000 ]  - [   0.0001601700000000, -0.0000116900000000, -0.0006533200000000 ]  - [   0.0005011000000000,  0.0000357700000000, -0.0006093200000000 ]  - [   0.0001601700000000,  0.0000116900000000, -0.0006533200000000 ]  - [   0.0005011000000000, -0.0000357700000000, -0.0006093200000000 ]  - [   0.0014969500000000,  0.0009515800000000,  0.0000170800000000 ]  - [  -0.0007384300000000,  0.0003027600000000,  0.0006846300000000 ]  - [  -0.0001260800000000,  0.0000000000000000,  0.0005641400000000 ]  - [  -0.0004643500000000,  0.0000000000000000,  0.0006458200000000 ]  - [   0.0014969500000000, -0.0009515800000000,  0.0000170800000000 ]  - [  -0.0007384300000000, -0.0003027600000000,  0.0006846300000000 ]  - [  -0.0001484500000000, -0.0000150800000000,  0.0006309400000000 ]  - [  -0.0004344500000000, -0.0000010000000000,  0.0005932300000000 ]  - [  -0.0001953100000000,  0.0000000000000000,  0.0006123400000000 ]  - [  -0.0004012500000000,  0.0000000000000000,  0.0006200300000000 ]  - [  -0.0001484500000000,  0.0000150800000000,  0.0006309400000000 ]  - [  -0.0004344500000000,  0.0000010000000000,  0.0005932300000000 ]  - [   0.0040900300000000,  0.0000000000000000, -0.0026703400000000 ]  - [  -0.0002078800000000,  0.0000000000000000,  0.0004721100000000 ]  - [   0.0005070900000000,  0.0002061800000000,  0.0007038600000000 ]  - [  -0.0001078200000000, -0.0003481400000000,  0.0005621500000000 ]  - [   0.0005070900000000, -0.0002061800000000,  0.0007038600000000 ]  - [  -0.0001078200000000,  0.0003481400000000,  0.0005621500000000 ]  - [   0.0004323100000000,  0.0000000000000000,  0.0003846800000000 ]  - [   0.0001421700000000,  0.0000000000000000,  0.0009601900000000 ]  - [   0.0003328200000000,  0.0000365700000000,  0.0005880900000000 ]  - [   0.0002737300000000, -0.0000097800000000,  0.0006568000000000 ]  - [   0.0003328200000000, -0.0000365700000000,  0.0005880900000000 ]  - [   0.0002737300000000,  0.0000097800000000,  0.0006568000000000 ]  - [  -0.0258263900000000,  0.0000000000000000,  0.0129222300000000 ]  - [   0.0105060700000000,  0.0000000000000000,  0.0154637500000000 ]  - [   0.0085444800000000, -0.0001168000000000,  0.0153542700000000 ]  - [   0.0101267300000000, -0.0000286300000000,  0.0154865800000000 ]  - [   0.0085444800000000,  0.0001168000000000,  0.0153542700000000 ]  - [   0.0101267300000000,  0.0000286300000000,  0.0154865800000000 ]  - [   0.0095629500000000,  0.0000000000000000,  0.0154805500000000 ]  - [   0.0098209200000000,  0.0000000000000000,  0.0154883700000000 ]  - [   0.0095589900000000, -0.0000336300000000,  0.0154488400000000 ]  - [   0.0098025500000000, -0.0000020100000000,  0.0154562900000000 ]  - [   0.0095589900000000,  0.0000336300000000,  0.0154488400000000 ]  - [   0.0098025500000000,  0.0000020100000000,  0.0154562900000000 ]  - [   0.0125218100000000,  0.0000000000000000, -0.0130907500000000 ]  - [   0.0125390500000000,  0.0000000000000000, -0.0174996300000000 ]  - [   0.0097202000000000, -0.0002839500000000, -0.0153290100000000 ]  - [   0.0097184200000000,  0.0002633400000000, -0.0155994200000000 ]  - [   0.0097202000000000,  0.0002839500000000, -0.0153290100000000 ]  - [   0.0097184200000000, -0.0002633400000000, -0.0155994200000000 ]  - [   0.0097065800000000,  0.0000000000000000, -0.0155994800000000 ]  - [   0.0097064800000000,  0.0000000000000000, -0.0151523100000000 ]  - [   0.0096808500000000, -0.0000531600000000, -0.0155264900000000 ]  - [   0.0096798400000000,  0.0000965800000000, -0.0151845300000000 ]  - [   0.0096808500000000,  0.0000531600000000, -0.0155264900000000 ]  - [   0.0096798400000000, -0.0000965800000000, -0.0151845300000000 ]  - [  -0.0103031000000000, -0.0001838500000000,  0.0152203600000000 ]  - [  -0.0090277000000000, -0.0000155500000000,  0.0154848900000000 ]  - [  -0.0098025600000000,  0.0000000000000000,  0.0154448700000000 ]  - [  -0.0095347400000000,  0.0000000000000000,  0.0154318500000000 ]  - [  -0.0103031000000000,  0.0001838500000000,  0.0152203600000000 ]  - [  -0.0090277000000000,  0.0000155500000000,  0.0154848900000000 ]  - [  -0.0103023200000000, -0.0002126600000000,  0.0157632500000000 ]  - [  -0.0090283900000000,  0.0001518600000000,  0.0153339700000000 ]  - [  -0.0098025800000000,  0.0000000000000000,  0.0154476800000000 ]  - [  -0.0095345100000000,  0.0000000000000000,  0.0154299800000000 ]  - [  -0.0103023200000000,  0.0002126600000000,  0.0157632500000000 ]  - [  -0.0090283900000000, -0.0001518600000000,  0.0153339700000000 ]  - [  -0.0084068200000000, -0.0008946400000000, -0.0160223800000000 ]  - [  -0.0076725900000000,  0.0019842500000000, -0.0138962700000000 ]  - [  -0.0096416300000000,  0.0000000000000000, -0.0154383400000000 ]  - [  -0.0098353000000000,  0.0000000000000000, -0.0154984500000000 ]  - [  -0.0084068200000000,  0.0008946400000000, -0.0160223800000000 ]  - [  -0.0076725900000000, -0.0019842500000000, -0.0138962700000000 ]  - [  -0.0095921000000000, -0.0001635200000000, -0.0152180100000000 ]  - [  -0.0098177600000000,  0.0001190300000000, -0.0155453800000000 ]  - [  -0.0096190500000000,  0.0000000000000000, -0.0153961900000000 ]  - [  -0.0097536100000000,  0.0000000000000000, -0.0154305000000000 ]  - [  -0.0095921000000000,  0.0001635200000000, -0.0152180100000000 ]  - [  -0.0098177600000000, -0.0001190300000000, -0.0155453800000000 ]- atom:   97  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0017778200000000,  0.0000000000000000, -0.0138756300000000 ]  - [   0.0048763300000000,  0.0000000000000000, -0.0115583400000000 ]  - [   0.0040655600000000, -0.0000702300000000, -0.0117561300000000 ]  - [   0.0041739700000000,  0.0000202400000000, -0.0116752900000000 ]  - [   0.0040655600000000,  0.0000702300000000, -0.0117561300000000 ]  - [   0.0041739700000000, -0.0000202400000000, -0.0116752900000000 ]  - [   0.0041063700000000,  0.0000000000000000, -0.0117246800000000 ]  - [   0.0041253400000000,  0.0000000000000000, -0.0116895900000000 ]  - [   0.0041391200000000, -0.0000257500000000, -0.0117100300000000 ]  - [   0.0041506300000000,  0.0000099100000000, -0.0116895200000000 ]  - [   0.0041391200000000,  0.0000257500000000, -0.0117100300000000 ]  - [   0.0041506300000000, -0.0000099100000000, -0.0116895200000000 ]  - [   0.0050346400000000,  0.0000000000000000,  0.0115787800000000 ]  - [  -0.0046109300000000,  0.0000000000000000,  0.0110008300000000 ]  - [   0.0042342300000000, -0.0002376600000000,  0.0119044600000000 ]  - [   0.0038276100000000,  0.0003878300000000,  0.0114135200000000 ]  - [   0.0042342300000000,  0.0002376600000000,  0.0119044600000000 ]  - [   0.0038276100000000, -0.0003878300000000,  0.0114135200000000 ]  - [   0.0041965600000000,  0.0000000000000000,  0.0117300200000000 ]  - [   0.0040191600000000,  0.0000000000000000,  0.0117396600000000 ]  - [   0.0041955500000000, -0.0000394600000000,  0.0117173600000000 ]  - [   0.0040232600000000,  0.0000171800000000,  0.0117455500000000 ]  - [   0.0041955500000000,  0.0000394600000000,  0.0117173600000000 ]  - [   0.0040232600000000, -0.0000171800000000,  0.0117455500000000 ]  - [  -0.0042604700000000, -0.0000230300000000,  0.0114237500000000 ]  - [  -0.0039392500000000, -0.0001249600000000,  0.0122541000000000 ]  - [  -0.0041676400000000,  0.0000000000000000,  0.0116835500000000 ]  - [  -0.0040456500000000,  0.0000000000000000,  0.0117456500000000 ]  - [  -0.0042604700000000,  0.0000230300000000,  0.0114237500000000 ]  - [  -0.0039392500000000,  0.0001249600000000,  0.0122541000000000 ]  - [  -0.0043152800000000, -0.0004317500000000,  0.0120027700000000 ]  - [  -0.0040486100000000,  0.0004986300000000,  0.0114420900000000 ]  - [  -0.0041829400000000,  0.0000000000000000,  0.0118067800000000 ]  - [  -0.0040462800000000,  0.0000000000000000,  0.0116239400000000 ]  - [  -0.0043152800000000,  0.0004317500000000,  0.0120027700000000 ]  - [  -0.0040486100000000, -0.0004986300000000,  0.0114420900000000 ]  - [  -0.0063680500000000, -0.0016658100000000, -0.0127923700000000 ]  - [  -0.0036796000000000,  0.0000800700000000, -0.0116478000000000 ]  - [  -0.0041306200000000,  0.0000000000000000, -0.0118448400000000 ]  - [  -0.0040436100000000,  0.0000000000000000, -0.0117220000000000 ]  - [  -0.0063680500000000,  0.0016658100000000, -0.0127923700000000 ]  - [  -0.0036796000000000, -0.0000800700000000, -0.0116478000000000 ]  - [  -0.0042275000000000,  0.0000158700000000, -0.0116016000000000 ]  - [  -0.0040337300000000, -0.0000154600000000, -0.0117544400000000 ]  - [  -0.0041697100000000,  0.0000000000000000, -0.0116952900000000 ]  - [  -0.0040736600000000,  0.0000000000000000, -0.0117190500000000 ]  - [  -0.0042275000000000, -0.0000158700000000, -0.0116016000000000 ]  - [  -0.0040337300000000,  0.0000154600000000, -0.0117544400000000 ]  - [  -0.0028331400000000,  0.0016540700000000, -0.0010073700000000 ]  - [   0.0001613900000000,  0.0002132700000000, -0.0007306500000000 ]  - [  -0.0004674900000000,  0.0000000000000000, -0.0006969200000000 ]  - [  -0.0001559300000000,  0.0000000000000000, -0.0006264700000000 ]  - [  -0.0028331400000000, -0.0016540700000000, -0.0010073700000000 ]  - [   0.0001613900000000, -0.0002132700000000, -0.0007306500000000 ]  - [  -0.0003758000000000, -0.0000018300000000, -0.0006142700000000 ]  - [  -0.0002267900000000,  0.0000037900000000, -0.0006054100000000 ]  - [  -0.0003626200000000,  0.0000000000000000, -0.0006332600000000 ]  - [  -0.0002287200000000,  0.0000000000000000, -0.0005967600000000 ]  - [  -0.0003758000000000,  0.0000018300000000, -0.0006142700000000 ]  - [  -0.0002267900000000, -0.0000037900000000, -0.0006054100000000 ]  - [   0.0006258700000000,  0.0000000000000000, -0.0008578800000000 ]  - [   0.0000619400000000,  0.0000000000000000,  0.0004991100000000 ]  - [   0.0005515900000000, -0.0001847800000000, -0.0008276000000000 ]  - [  -0.0000470500000000,  0.0002075400000000, -0.0004150100000000 ]  - [   0.0005515900000000,  0.0001847800000000, -0.0008276000000000 ]  - [  -0.0000470500000000, -0.0002075400000000, -0.0004150100000000 ]  - [   0.0007602900000000,  0.0000000000000000, -0.0001684000000000 ]  - [  -0.0000743500000000,  0.0000000000000000, -0.0009794500000000 ]  - [   0.0004709700000000,  0.0000114900000000, -0.0006064600000000 ]  - [   0.0001317000000000, -0.0000359100000000, -0.0006509700000000 ]  - [   0.0004709700000000, -0.0000114900000000, -0.0006064600000000 ]  - [   0.0001317000000000,  0.0000359100000000, -0.0006509700000000 ]  - [  -0.0021155200000000, -0.0009129500000000,  0.0012150600000000 ]  - [   0.0001054200000000, -0.0003034400000000,  0.0005751300000000 ]  - [  -0.0005045100000000,  0.0000000000000000,  0.0006957100000000 ]  - [  -0.0001685700000000,  0.0000000000000000,  0.0006132300000000 ]  - [  -0.0021155200000000,  0.0009129500000000,  0.0012150600000000 ]  - [   0.0001054200000000,  0.0003034400000000,  0.0005751300000000 ]  - [  -0.0004826800000000,  0.0000150700000000,  0.0006291800000000 ]  - [  -0.0001990600000000,  0.0000003600000000,  0.0006660300000000 ]  - [  -0.0004355300000000,  0.0000000000000000,  0.0006474500000000 ]  - [  -0.0002321300000000,  0.0000000000000000,  0.0006395400000000 ]  - [  -0.0004826800000000, -0.0000150700000000,  0.0006291800000000 ]  - [  -0.0001990600000000, -0.0000003600000000,  0.0006660300000000 ]  - [  -0.0035271200000000,  0.0000000000000000,  0.0040545500000000 ]  - [   0.0008391100000000,  0.0000000000000000,  0.0007874600000000 ]  - [   0.0001226200000000, -0.0002061000000000,  0.0005559800000000 ]  - [   0.0007393600000000,  0.0003474300000000,  0.0006975900000000 ]  - [   0.0001226200000000,  0.0002061000000000,  0.0005559800000000 ]  - [   0.0007393600000000, -0.0003474300000000,  0.0006975900000000 ]  - [   0.0001983500000000,  0.0000000000000000,  0.0008756500000000 ]  - [   0.0004912900000000,  0.0000000000000000,  0.0003006700000000 ]  - [   0.0002971800000000, -0.0000362100000000,  0.0006718100000000 ]  - [   0.0003592700000000,  0.0000096000000000,  0.0006029100000000 ]  - [   0.0002971800000000,  0.0000362100000000,  0.0006718100000000 ]  - [   0.0003592700000000, -0.0000096000000000,  0.0006029100000000 ]  - [   0.0448923900000000,  0.0000000000000000,  0.0179264200000000 ]  - [   0.0088709700000000,  0.0000000000000000,  0.0154104000000000 ]  - [   0.0108331600000000,  0.0001092300000000,  0.0155191700000000 ]  - [   0.0092520400000000,  0.0000281700000000,  0.0153879600000000 ]  - [   0.0108331600000000, -0.0001092300000000,  0.0155191700000000 ]  - [   0.0092520400000000, -0.0000281700000000,  0.0153879600000000 ]  - [   0.0098156800000000,  0.0000000000000000,  0.0153968800000000 ]  - [   0.0095564400000000,  0.0000000000000000,  0.0153848100000000 ]  - [   0.0098181600000000,  0.0000301900000000,  0.0154233200000000 ]  - [   0.0095774100000000,  0.0000023500000000,  0.0154186100000000 ]  - [   0.0098181600000000, -0.0000301900000000,  0.0154233200000000 ]  - [   0.0095774100000000, -0.0000023500000000,  0.0154186100000000 ]  - [   0.0068378300000000,  0.0000000000000000, -0.0178035100000000 ]  - [   0.0068557300000000,  0.0000000000000000, -0.0133858700000000 ]  - [   0.0096576200000000,  0.0002858600000000, -0.0155456000000000 ]  - [   0.0096578400000000, -0.0002630000000000, -0.0152756800000000 ]  - [   0.0096576200000000, -0.0002858600000000, -0.0155456000000000 ]  - [   0.0096578400000000,  0.0002630000000000, -0.0152756800000000 ]  - [   0.0096715200000000,  0.0000000000000000, -0.0152766900000000 ]  - [   0.0096708500000000,  0.0000000000000000, -0.0157197800000000 ]  - [   0.0097002400000000,  0.0000534500000000, -0.0153479200000000 ]  - [   0.0096971200000000, -0.0000958100000000, -0.0156889800000000 ]  - [   0.0097002400000000, -0.0000534500000000, -0.0153479200000000 ]  - [   0.0096971200000000,  0.0000958100000000, -0.0156889800000000 ]  - [  -0.0090739000000000,  0.0001843500000000,  0.0156485400000000 ]  - [  -0.0103495500000000,  0.0000146200000000,  0.0153913100000000 ]  - [  -0.0095772900000000,  0.0000000000000000,  0.0154317900000000 ]  - [  -0.0098442500000000,  0.0000000000000000,  0.0154446600000000 ]  - [  -0.0090739000000000, -0.0001843500000000,  0.0156485400000000 ]  - [  -0.0103495500000000, -0.0000146200000000,  0.0153913100000000 ]  - [  -0.0090731300000000,  0.0002076400000000,  0.0151158000000000 ]  - [  -0.0103504200000000, -0.0001516100000000,  0.0155408500000000 ]  - [  -0.0095761700000000,  0.0000000000000000,  0.0154277400000000 ]  - [  -0.0098431000000000,  0.0000000000000000,  0.0154446700000000 ]  - [  -0.0090731300000000, -0.0002076400000000,  0.0151158000000000 ]  - [  -0.0103504200000000,  0.0001516100000000,  0.0155408500000000 ]  - [  -0.0109781000000000,  0.0009011700000000, -0.0148491900000000 ]  - [  -0.0116956900000000, -0.0019748800000000, -0.0169733400000000 ]  - [  -0.0097342600000000,  0.0000000000000000, -0.0154363700000000 ]  - [  -0.0095441500000000,  0.0000000000000000, -0.0153775400000000 ]  - [  -0.0109781000000000, -0.0009011700000000, -0.0148491900000000 ]  - [  -0.0116956900000000,  0.0019748800000000, -0.0169733400000000 ]  - [  -0.0097849800000000,  0.0001665200000000, -0.0156573600000000 ]  - [  -0.0095622200000000, -0.0001196100000000, -0.0153296600000000 ]  - [  -0.0097596400000000,  0.0000000000000000, -0.0154792200000000 ]  - [  -0.0096226400000000,  0.0000000000000000, -0.0154428800000000 ]  - [  -0.0097849800000000, -0.0001665200000000, -0.0156573600000000 ]  - [  -0.0095622200000000,  0.0001196100000000, -0.0153296600000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0041212700000000,  0.0020563500000000, -0.0116916800000000 ]  - [   0.0041156200000000, -0.0000597900000000, -0.0117116200000000 ]  - [   0.0042952600000000, -0.0002449500000000, -0.0112847500000000 ]  - [   0.0040395100000000,  0.0000053700000000, -0.0116454700000000 ]  - [   0.0039371300000000, -0.0002469800000000, -0.0121348600000000 ]  - [   0.0041896400000000,  0.0000052700000000, -0.0117779000000000 ]  - [   0.0041150100000000,  0.0005463000000000, -0.0117109300000000 ]  - [   0.0041149000000000,  0.0001784800000000, -0.0117115800000000 ]  - [   0.0042149900000000, -0.0003334000000000, -0.0116957700000000 ]  - [   0.0040858500000000, -0.0000868000000000, -0.0117257900000000 ]  - [   0.0040145600000000, -0.0003353200000000, -0.0117262300000000 ]  - [   0.0041427600000000, -0.0000867500000000, -0.0116990100000000 ]  - [   0.0041142500000000,  0.0003331700000000,  0.0117123500000000 ]  - [   0.0040980600000000,  0.0021689000000000,  0.0117098900000000 ]  - [   0.0041529300000000, -0.0001674000000000,  0.0117223300000000 ]  - [   0.0037111500000000, -0.0002716000000000,  0.0117309600000000 ]  - [   0.0040771200000000, -0.0001680800000000,  0.0117003300000000 ]  - [   0.0045153700000000, -0.0002731100000000,  0.0116923800000000 ]  - [   0.0041140400000000,  0.0000629000000000,  0.0117125300000000 ]  - [   0.0041141700000000,  0.0000488500000000,  0.0117121600000000 ]  - [   0.0041176200000000, -0.0000307800000000,  0.0116725000000000 ]  - [   0.0040802600000000, -0.0000200900000000,  0.0116567400000000 ]  - [   0.0041130100000000, -0.0000301700000000,  0.0117502800000000 ]  - [   0.0041490500000000, -0.0000195200000000,  0.0117674100000000 ]  - [  -0.0039232800000000,  0.0000396800000000,  0.0115522300000000 ]  - [  -0.0041085000000000,  0.0001335600000000,  0.0112369500000000 ]  - [  -0.0041132700000000, -0.0000848300000000,  0.0117113500000000 ]  - [  -0.0041138200000000, -0.0000847400000000,  0.0117114900000000 ]  - [  -0.0043056100000000,  0.0000389200000000,  0.0118715800000000 ]  - [  -0.0041188000000000,  0.0001339500000000,  0.0121871300000000 ]  - [  -0.0038461200000000,  0.0000966200000000,  0.0116911600000000 ]  - [  -0.0042016800000000,  0.0001246300000000,  0.0117052800000000 ]  - [  -0.0041149100000000, -0.0001692000000000,  0.0117110800000000 ]  - [  -0.0041147900000000, -0.0001945600000000,  0.0117114200000000 ]  - [  -0.0043856400000000,  0.0000948900000000,  0.0117298900000000 ]  - [  -0.0040284800000000,  0.0001237800000000,  0.0117167600000000 ]  - [  -0.0023042300000000,  0.0079335500000000, -0.0078361100000000 ]  - [  -0.0039570100000000,  0.0000767800000000, -0.0115916600000000 ]  - [  -0.0041158900000000, -0.0009979700000000, -0.0117145800000000 ]  - [  -0.0041147700000000, -0.0000970500000000, -0.0117107600000000 ]  - [  -0.0058335900000000,  0.0076591100000000, -0.0153757000000000 ]  - [  -0.0042714200000000,  0.0000765900000000, -0.0118306700000000 ]  - [  -0.0042997100000000,  0.0001074100000000, -0.0114201200000000 ]  - [  -0.0040829900000000,  0.0000143600000000, -0.0117156500000000 ]  - [  -0.0041149900000000, -0.0001455000000000, -0.0117123500000000 ]  - [  -0.0041150400000000, -0.0000373600000000, -0.0117117200000000 ]  - [  -0.0039285300000000,  0.0001070700000000, -0.0120056700000000 ]  - [  -0.0041461200000000,  0.0000151100000000, -0.0117093000000000 ]  - [  -0.0019290600000000,  0.0027037900000000, -0.0009487400000000 ]  - [  -0.0004968400000000,  0.0001101100000000, -0.0003710600000000 ]  - [  -0.0003142600000000, -0.0006983800000000, -0.0006307300000000 ]  - [  -0.0003165900000000, -0.0001948500000000, -0.0006312900000000 ]  - [   0.0011992400000000,  0.0026268200000000, -0.0003409500000000 ]  - [  -0.0001365500000000,  0.0001095700000000, -0.0008917200000000 ]  - [  -0.0002162800000000,  0.0000769500000000, -0.0007324100000000 ]  - [  -0.0003186400000000,  0.0000531300000000, -0.0006570400000000 ]  - [  -0.0003164600000000, -0.0001504500000000, -0.0006319100000000 ]  - [  -0.0003164000000000, -0.0001083100000000, -0.0006315700000000 ]  - [  -0.0004171500000000,  0.0000766900000000, -0.0005303100000000 ]  - [  -0.0003133600000000,  0.0000529300000000, -0.0006059100000000 ]  - [   0.0003165600000000,  0.0003582200000000, -0.0006313900000000 ]  - [   0.0003165100000000,  0.0009594300000000, -0.0006293500000000 ]  - [   0.0003500800000000, -0.0002012500000000, -0.0006776300000000 ]  - [   0.0002326000000000, -0.0003778700000000, -0.0008787500000000 ]  - [   0.0002828600000000, -0.0002015100000000, -0.0005849200000000 ]  - [   0.0003998300000000, -0.0003785500000000, -0.0003856000000000 ]  - [   0.0003161100000000,  0.0000195600000000, -0.0006317300000000 ]  - [   0.0003159700000000,  0.0003417200000000, -0.0006322000000000 ]  - [   0.0003722900000000, -0.0000213500000000, -0.0005759200000000 ]  - [   0.0002057400000000, -0.0001737100000000, -0.0005509900000000 ]  - [   0.0002598300000000, -0.0000222100000000, -0.0006868800000000 ]  - [   0.0004262700000000, -0.0001735000000000, -0.0007117300000000 ]  - [   0.0005244000000000,  0.0022385900000000, -0.0002751300000000 ]  - [  -0.0002678800000000,  0.0001119200000000,  0.0007138900000000 ]  - [  -0.0003186000000000, -0.0007017600000000,  0.0006330700000000 ]  - [  -0.0003165300000000, -0.0002030300000000,  0.0006309300000000 ]  - [  -0.0010960900000000,  0.0021684900000000,  0.0014739000000000 ]  - [  -0.0003647500000000,  0.0001116900000000,  0.0005493500000000 ]  - [  -0.0004869100000000,  0.0001004700000000,  0.0004558700000000 ]  - [  -0.0003465200000000,  0.0000463500000000,  0.0005578100000000 ]  - [  -0.0003171000000000, -0.0001692400000000,  0.0006309500000000 ]  - [  -0.0003167000000000, -0.0000982100000000,  0.0006314700000000 ]  - [  -0.0001456100000000,  0.0001004200000000,  0.0008069300000000 ]  - [  -0.0002869500000000,  0.0000460600000000,  0.0007050200000000 ]  - [   0.0003265600000000,  0.0011731100000000,  0.0006205200000000 ]  - [   0.0003164300000000,  0.0005736300000000,  0.0006318100000000 ]  - [   0.0006166700000000, -0.0003074500000000,  0.0003027000000000 ]  - [   0.0001415200000000, -0.0003585000000000,  0.0005783000000000 ]  - [   0.0000182100000000, -0.0003079900000000,  0.0009577100000000 ]  - [   0.0004914400000000, -0.0003596000000000,  0.0006845000000000 ]  - [   0.0003164100000000,  0.0003743900000000,  0.0006311600000000 ]  - [   0.0003164800000000,  0.0000537600000000,  0.0006306500000000 ]  - [   0.0004590100000000, -0.0002207200000000,  0.0006861100000000 ]  - [   0.0002895700000000, -0.0000279200000000,  0.0006480800000000 ]  - [   0.0001733300000000, -0.0002210000000000,  0.0005763000000000 ]  - [   0.0003426900000000, -0.0000279700000000,  0.0006142500000000 ]  - [   0.0096303100000000, -0.0396134500000000,  0.0153057300000000 ]  - [   0.0096885100000000, -0.0003066600000000,  0.0154365700000000 ]  - [   0.0098031000000000,  0.0045821900000000,  0.0155736900000000 ]  - [   0.0097179600000000,  0.0001850800000000,  0.0153536300000000 ]  - [   0.0095768500000000,  0.0045549700000000,  0.0153063700000000 ]  - [   0.0096598200000000,  0.0001849100000000,  0.0155209600000000 ]  - [   0.0096883400000000, -0.0004281400000000,  0.0154372100000000 ]  - [   0.0096883500000000, -0.0001216600000000,  0.0154378900000000 ]  - [   0.0097208800000000,  0.0003778000000000,  0.0154353800000000 ]  - [   0.0096897300000000,  0.0000591300000000,  0.0154959000000000 ]  - [   0.0096557200000000,  0.0003773700000000,  0.0154403800000000 ]  - [   0.0096869900000000,  0.0000592000000000,  0.0153801100000000 ]  - [   0.0096918300000000, -0.0009385900000000, -0.0154356100000000 ]  - [   0.0096839100000000, -0.0009387100000000, -0.0154350500000000 ]  - [   0.0094250500000000,  0.0002045900000000, -0.0156408800000000 ]  - [   0.0099744100000000,  0.0002038400000000, -0.0156743700000000 ]  - [   0.0099511200000000,  0.0002051600000000, -0.0152343900000000 ]  - [   0.0094043100000000,  0.0002057300000000, -0.0152010200000000 ]  - [   0.0096887200000000, -0.0003514300000000, -0.0154377600000000 ]  - [   0.0096884500000000, -0.0003521800000000, -0.0154381600000000 ]  - [   0.0095922000000000,  0.0001873800000000, -0.0153470000000000 ]  - [   0.0097411000000000,  0.0001882600000000, -0.0152721100000000 ]  - [   0.0097840500000000,  0.0001878600000000, -0.0155284700000000 ]  - [   0.0096353800000000,  0.0001885800000000, -0.0156030600000000 ]  - [  -0.0098994300000000,  0.0002325500000000,  0.0168650800000000 ]  - [  -0.0095371300000000, -0.0001420200000000,  0.0158170900000000 ]  - [  -0.0096889000000000,  0.0004829900000000,  0.0154386800000000 ]  - [  -0.0096882600000000,  0.0001754400000000,  0.0154375100000000 ]  - [  -0.0094775800000000,  0.0002377300000000,  0.0140091100000000 ]  - [  -0.0098397200000000, -0.0001410200000000,  0.0150598000000000 ]  - [  -0.0098715600000000,  0.0002337500000000,  0.0137734400000000 ]  - [  -0.0097046900000000, -0.0001426900000000,  0.0154818600000000 ]  - [  -0.0096884100000000,  0.0004831600000000,  0.0154368400000000 ]  - [  -0.0096882300000000,  0.0001758300000000,  0.0154379000000000 ]  - [  -0.0095053200000000,  0.0002364300000000,  0.0170981100000000 ]  - [  -0.0096732000000000, -0.0001406600000000,  0.0153946000000000 ]  - [  -0.0105858700000000,  0.0000936600000000, -0.0151849400000000 ]  - [  -0.0077088000000000,  0.0006554700000000, -0.0142091300000000 ]  - [  -0.0096893600000000,  0.0003799900000000, -0.0154371100000000 ]  - [  -0.0096873600000000,  0.0006842700000000, -0.0154369500000000 ]  - [  -0.0087914500000000,  0.0000956100000000, -0.0156902800000000 ]  - [  -0.0116667400000000,  0.0006589000000000, -0.0166633500000000 ]  - [  -0.0098527100000000, -0.0000904200000000, -0.0154991700000000 ]  - [  -0.0095687500000000, -0.0000922400000000, -0.0154964100000000 ]  - [  -0.0096888600000000,  0.0001532800000000, -0.0154379900000000 ]  - [  -0.0096879800000000,  0.0001733300000000, -0.0154381800000000 ]  - [  -0.0095246900000000, -0.0000904200000000, -0.0153763100000000 ]  - [  -0.0098077700000000, -0.0000923000000000, -0.0153778700000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0064856500000000,  0.0000000000000000, -0.0042509600000000 ]  - [   0.0044566500000000,  0.0000000000000000, -0.0115859500000000 ]  - [   0.0040430100000000,  0.0003625300000000, -0.0113499500000000 ]  - [   0.0041465500000000,  0.0000677800000000, -0.0115737100000000 ]  - [   0.0040430100000000, -0.0003625300000000, -0.0113499500000000 ]  - [   0.0041465500000000, -0.0000677800000000, -0.0115737100000000 ]  - [   0.0042193100000000,  0.0000000000000000, -0.0122594600000000 ]  - [   0.0040734800000000,  0.0000000000000000, -0.0118134200000000 ]  - [   0.0042486000000000, -0.0005236100000000, -0.0120260200000000 ]  - [   0.0040825600000000, -0.0000286500000000, -0.0117921200000000 ]  - [   0.0042486000000000,  0.0005236100000000, -0.0120260200000000 ]  - [   0.0040825600000000,  0.0000286500000000, -0.0117921200000000 ]  - [   0.0041253200000000,  0.0000000000000000,  0.0122201400000000 ]  - [   0.0049292600000000,  0.0000000000000000,  0.0138094000000000 ]  - [   0.0040611500000000, -0.0000871500000000,  0.0119267100000000 ]  - [   0.0042765000000000, -0.0001815400000000,  0.0120184400000000 ]  - [   0.0040611500000000,  0.0000871500000000,  0.0119267100000000 ]  - [   0.0042765000000000,  0.0001815400000000,  0.0120184400000000 ]  - [   0.0041251100000000,  0.0000000000000000,  0.0114783900000000 ]  - [   0.0041110800000000,  0.0000000000000000,  0.0115384500000000 ]  - [   0.0041151600000000,  0.0000809900000000,  0.0115338800000000 ]  - [   0.0041103900000000,  0.0000574200000000,  0.0115884000000000 ]  - [   0.0041151600000000, -0.0000809900000000,  0.0115338800000000 ]  - [   0.0041103900000000, -0.0000574200000000,  0.0115884000000000 ]  - [  -0.0036974200000000, -0.0000190700000000,  0.0116919000000000 ]  - [  -0.0041586000000000,  0.0000276900000000,  0.0115052600000000 ]  - [  -0.0040726700000000,  0.0000000000000000,  0.0117713100000000 ]  - [  -0.0041214200000000,  0.0000000000000000,  0.0117260800000000 ]  - [  -0.0036974200000000,  0.0000190700000000,  0.0116919000000000 ]  - [  -0.0041586000000000, -0.0000276900000000,  0.0115052600000000 ]  - [  -0.0044091200000000,  0.0002301100000000,  0.0116167400000000 ]  - [  -0.0041668500000000,  0.0003016800000000,  0.0115559400000000 ]  - [  -0.0041486700000000,  0.0000000000000000,  0.0116237000000000 ]  - [  -0.0041277700000000,  0.0000000000000000,  0.0116261200000000 ]  - [  -0.0044091200000000, -0.0002301100000000,  0.0116167400000000 ]  - [  -0.0041668500000000, -0.0003016800000000,  0.0115559400000000 ]  - [  -0.0029883300000000,  0.0037828100000000, -0.0074683500000000 ]  - [  -0.0040232200000000,  0.0000876100000000, -0.0116213100000000 ]  - [  -0.0039551100000000,  0.0000000000000000, -0.0114965500000000 ]  - [  -0.0041022300000000,  0.0000000000000000, -0.0116995800000000 ]  - [  -0.0029883300000000, -0.0037828100000000, -0.0074683500000000 ]  - [  -0.0040232200000000, -0.0000876100000000, -0.0116213100000000 ]  - [  -0.0038828600000000, -0.0001105300000000, -0.0122318000000000 ]  - [  -0.0041772700000000, -0.0000065900000000, -0.0118352700000000 ]  - [  -0.0041219300000000,  0.0000000000000000, -0.0117819400000000 ]  - [  -0.0041321400000000,  0.0000000000000000, -0.0117508400000000 ]  - [  -0.0038828600000000,  0.0001105300000000, -0.0122318000000000 ]  - [  -0.0041772700000000,  0.0000065900000000, -0.0118352700000000 ]  - [   0.0001293600000000, -0.0003876200000000,  0.0005755500000000 ]  - [  -0.0003327200000000,  0.0002299500000000, -0.0001579900000000 ]  - [  -0.0002808900000000,  0.0000000000000000, -0.0005217000000000 ]  - [  -0.0002712100000000,  0.0000000000000000, -0.0004748500000000 ]  - [   0.0001293600000000,  0.0003876200000000,  0.0005755500000000 ]  - [  -0.0003327200000000, -0.0002299500000000, -0.0001579900000000 ]  - [  -0.0002091100000000,  0.0000091500000000, -0.0010633800000000 ]  - [  -0.0003318600000000, -0.0000153200000000, -0.0008039400000000 ]  - [  -0.0003626400000000,  0.0000000000000000, -0.0007624900000000 ]  - [  -0.0003660900000000,  0.0000000000000000, -0.0007328100000000 ]  - [  -0.0002091100000000, -0.0000091500000000, -0.0010633800000000 ]  - [  -0.0003318600000000,  0.0000153200000000, -0.0008039400000000 ]  - [   0.0003720200000000,  0.0000000000000000, -0.0005776100000000 ]  - [  -0.0009954600000000,  0.0000000000000000, -0.0022325100000000 ]  - [   0.0003374500000000, -0.0000807700000000, -0.0006262600000000 ]  - [   0.0001599200000000, -0.0003424600000000, -0.0005876600000000 ]  - [   0.0003374500000000,  0.0000807700000000, -0.0006262600000000 ]  - [   0.0001599200000000,  0.0003424600000000, -0.0005876600000000 ]  - [   0.0001805900000000,  0.0000000000000000, -0.0009602900000000 ]  - [   0.0006997600000000,  0.0000000000000000, -0.0013162200000000 ]  - [   0.0003256400000000,  0.0000954700000000, -0.0006845300000000 ]  - [   0.0005993200000000,  0.0002643400000000, -0.0007448800000000 ]  - [   0.0003256400000000, -0.0000954700000000, -0.0006845300000000 ]  - [   0.0005993200000000, -0.0002643400000000, -0.0007448800000000 ]  - [  -0.0008871600000000, -0.0009310300000000,  0.0024160700000000 ]  - [  -0.0004765700000000,  0.0002382700000000,  0.0009218100000000 ]  - [  -0.0003570400000000,  0.0000000000000000,  0.0007597200000000 ]  - [  -0.0004306900000000,  0.0000000000000000,  0.0007586400000000 ]  - [  -0.0008871600000000,  0.0009310300000000,  0.0024160700000000 ]  - [  -0.0004765700000000, -0.0002382700000000,  0.0009218100000000 ]  - [  -0.0005463300000000,  0.0000409500000000,  0.0002178000000000 ]  - [  -0.0002644700000000, -0.0000186500000000,  0.0004570200000000 ]  - [  -0.0002741800000000,  0.0000000000000000,  0.0005052200000000 ]  - [  -0.0002224800000000,  0.0000000000000000,  0.0005309600000000 ]  - [  -0.0005463300000000, -0.0000409500000000,  0.0002178000000000 ]  - [  -0.0002644700000000,  0.0000186500000000,  0.0004570200000000 ]  - [  -0.0031359100000000,  0.0000000000000000,  0.0059478300000000 ]  - [   0.0000580000000000,  0.0000000000000000,  0.0006447400000000 ]  - [   0.0004370300000000, -0.0002820100000000,  0.0008702800000000 ]  - [   0.0001127100000000, -0.0002148300000000,  0.0005781700000000 ]  - [   0.0004370300000000,  0.0002820100000000,  0.0008702800000000 ]  - [   0.0001127100000000,  0.0002148300000000,  0.0005781700000000 ]  - [   0.0001108300000000,  0.0000000000000000,  0.0001618800000000 ]  - [   0.0003809700000000,  0.0000000000000000,  0.0003829100000000 ]  - [   0.0000972000000000,  0.0003338800000000,  0.0003869500000000 ]  - [   0.0003033900000000,  0.0000879600000000,  0.0005565300000000 ]  - [   0.0000972000000000, -0.0003338800000000,  0.0003869500000000 ]  - [   0.0003033900000000, -0.0000879600000000,  0.0005565300000000 ]  - [   0.0073002000000000,  0.0000000000000000, -0.0185086200000000 ]  - [   0.0097166400000000,  0.0000000000000000,  0.0149138900000000 ]  - [   0.0096063200000000, -0.0001381100000000,  0.0143436700000000 ]  - [   0.0097397000000000,  0.0000836000000000,  0.0151290700000000 ]  - [   0.0096063200000000,  0.0001381100000000,  0.0143436700000000 ]  - [   0.0097397000000000, -0.0000836000000000,  0.0151290700000000 ]  - [   0.0097318900000000,  0.0000000000000000,  0.0162368500000000 ]  - [   0.0097395700000000,  0.0000000000000000,  0.0157584900000000 ]  - [   0.0097010600000000,  0.0000034900000000,  0.0161783600000000 ]  - [   0.0097088100000000, -0.0000576500000000,  0.0156656600000000 ]  - [   0.0097010600000000, -0.0000034900000000,  0.0161783600000000 ]  - [   0.0097088100000000,  0.0000576500000000,  0.0156656600000000 ]  - [   0.0117462300000000,  0.0000000000000000, -0.0148687200000000 ]  - [   0.0073387200000000,  0.0000000000000000, -0.0148692300000000 ]  - [   0.0098522400000000, -0.0002370500000000, -0.0156769600000000 ]  - [   0.0095806900000000, -0.0002034800000000, -0.0156771700000000 ]  - [   0.0098522400000000,  0.0002370500000000, -0.0156769600000000 ]  - [   0.0095806900000000,  0.0002034800000000, -0.0156771700000000 ]  - [   0.0094051500000000,  0.0000000000000000, -0.0150608300000000 ]  - [   0.0098529400000000,  0.0000000000000000, -0.0150612300000000 ]  - [   0.0094368300000000,  0.0001658100000000, -0.0151840800000000 ]  - [   0.0097791100000000,  0.0000905900000000, -0.0151842700000000 ]  - [   0.0094368300000000, -0.0001658100000000, -0.0151840800000000 ]  - [   0.0097791100000000, -0.0000905900000000, -0.0151842700000000 ]  - [  -0.0100145100000000,  0.0016685400000000,  0.0174815800000000 ]  - [  -0.0095866300000000, -0.0000440100000000,  0.0156267500000000 ]  - [  -0.0097000000000000,  0.0000000000000000,  0.0154161100000000 ]  - [  -0.0096814400000000,  0.0000000000000000,  0.0154477500000000 ]  - [  -0.0100145100000000, -0.0016685400000000,  0.0174815800000000 ]  - [  -0.0095866300000000,  0.0000440100000000,  0.0156267500000000 ]  - [  -0.0094786400000000, -0.0014239400000000,  0.0174708900000000 ]  - [  -0.0097368000000000, -0.0003779600000000,  0.0156267900000000 ]  - [  -0.0096973400000000,  0.0000000000000000,  0.0154172500000000 ]  - [  -0.0096832800000000,  0.0000000000000000,  0.0154476400000000 ]  - [  -0.0094786400000000,  0.0014239400000000,  0.0174708900000000 ]  - [  -0.0097368000000000,  0.0003779600000000,  0.0156267900000000 ]  - [  -0.0102771300000000,  0.0002525700000000, -0.0158037400000000 ]  - [  -0.0081520800000000,  0.0012276900000000, -0.0156537300000000 ]  - [  -0.0096910200000000,  0.0000000000000000, -0.0156003200000000 ]  - [  -0.0097493800000000,  0.0000000000000000, -0.0155935800000000 ]  - [  -0.0102771300000000, -0.0002525700000000, -0.0158037400000000 ]  - [  -0.0081520800000000, -0.0012276900000000, -0.0156537300000000 ]  - [  -0.0094700500000000, -0.0000621000000000, -0.0150246800000000 ]  - [  -0.0097960300000000, -0.0000590600000000, -0.0150805800000000 ]  - [  -0.0096495800000000,  0.0000000000000000, -0.0152417700000000 ]  - [  -0.0096826500000000,  0.0000000000000000, -0.0152776500000000 ]  - [  -0.0094700500000000,  0.0000621000000000, -0.0150246800000000 ]  - [  -0.0097960300000000,  0.0000590600000000, -0.0150805800000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0015750100000000,  0.0000000000000000, -0.0195533800000000 ]  - [   0.0037742800000000,  0.0000000000000000, -0.0118371900000000 ]  - [   0.0041869900000000, -0.0003634200000000, -0.0120764100000000 ]  - [   0.0040842700000000, -0.0000677500000000, -0.0118477800000000 ]  - [   0.0041869900000000,  0.0003634200000000, -0.0120764100000000 ]  - [   0.0040842700000000,  0.0000677500000000, -0.0118477800000000 ]  - [   0.0040098500000000,  0.0000000000000000, -0.0111670900000000 ]  - [   0.0041550900000000,  0.0000000000000000, -0.0116110900000000 ]  - [   0.0039802200000000,  0.0005224400000000, -0.0113969700000000 ]  - [   0.0041470800000000,  0.0000291800000000, -0.0116303200000000 ]  - [   0.0039802200000000, -0.0005224400000000, -0.0113969700000000 ]  - [   0.0041470800000000, -0.0000291800000000, -0.0116303200000000 ]  - [   0.0041036700000000,  0.0000000000000000,  0.0112025800000000 ]  - [   0.0032720400000000,  0.0000000000000000,  0.0096025800000000 ]  - [   0.0041681500000000,  0.0000882700000000,  0.0114951400000000 ]  - [   0.0039545300000000,  0.0001820500000000,  0.0114041700000000 ]  - [   0.0041681500000000, -0.0000882700000000,  0.0114951400000000 ]  - [   0.0039545300000000, -0.0001820500000000,  0.0114041700000000 ]  - [   0.0041036400000000,  0.0000000000000000,  0.0119465300000000 ]  - [   0.0041178700000000,  0.0000000000000000,  0.0118848100000000 ]  - [   0.0041168200000000, -0.0000816400000000,  0.0118884900000000 ]  - [   0.0041178900000000, -0.0000576300000000,  0.0118347100000000 ]  - [   0.0041168200000000,  0.0000816400000000,  0.0118884900000000 ]  - [   0.0041178900000000,  0.0000576300000000,  0.0118347100000000 ]  - [  -0.0045299300000000,  0.0000196500000000,  0.0117329000000000 ]  - [  -0.0040718400000000, -0.0000279700000000,  0.0119179100000000 ]  - [  -0.0041564900000000,  0.0000000000000000,  0.0116529100000000 ]  - [  -0.0041081200000000,  0.0000000000000000,  0.0116968900000000 ]  - [  -0.0045299300000000, -0.0000196500000000,  0.0117329000000000 ]  - [  -0.0040718400000000,  0.0000279700000000,  0.0119179100000000 ]  - [  -0.0038189000000000, -0.0002302400000000,  0.0118053000000000 ]  - [  -0.0040623200000000, -0.0003022800000000,  0.0118656900000000 ]  - [  -0.0040821700000000,  0.0000000000000000,  0.0118007000000000 ]  - [  -0.0041020900000000,  0.0000000000000000,  0.0117943500000000 ]  - [  -0.0038189000000000,  0.0002302400000000,  0.0118053000000000 ]  - [  -0.0040623200000000,  0.0003022800000000,  0.0118656900000000 ]  - [  -0.0052085000000000, -0.0036680400000000, -0.0159144700000000 ]  - [  -0.0042060000000000, -0.0000878900000000, -0.0118013700000000 ]  - [  -0.0042715700000000,  0.0000000000000000, -0.0119220500000000 ]  - [  -0.0041272300000000,  0.0000000000000000, -0.0117240200000000 ]  - [  -0.0052085000000000,  0.0036680400000000, -0.0159144700000000 ]  - [  -0.0042060000000000,  0.0000878900000000, -0.0118013700000000 ]  - [  -0.0043462600000000,  0.0001110900000000, -0.0111920700000000 ]  - [  -0.0040520500000000,  0.0000061900000000, -0.0115891400000000 ]  - [  -0.0041076000000000,  0.0000000000000000, -0.0116406900000000 ]  - [  -0.0040980800000000,  0.0000000000000000, -0.0116711900000000 ]  - [  -0.0043462600000000, -0.0001110900000000, -0.0111920700000000 ]  - [  -0.0040520500000000, -0.0000061900000000, -0.0115891400000000 ]  - [  -0.0007579800000000,  0.0003830300000000, -0.0018289200000000 ]  - [  -0.0002979600000000, -0.0002303000000000, -0.0011027100000000 ]  - [  -0.0003519900000000,  0.0000000000000000, -0.0007395200000000 ]  - [  -0.0003593900000000,  0.0000000000000000, -0.0007852300000000 ]  - [  -0.0007579800000000, -0.0003830300000000, -0.0018289200000000 ]  - [  -0.0002979600000000,  0.0002303000000000, -0.0011027100000000 ]  - [  -0.0004207000000000, -0.0000083000000000, -0.0001966500000000 ]  - [  -0.0002984500000000,  0.0000148600000000, -0.0004552100000000 ]  - [  -0.0002671400000000,  0.0000000000000000, -0.0004978600000000 ]  - [  -0.0002633900000000,  0.0000000000000000, -0.0005280400000000 ]  - [  -0.0004207000000000,  0.0000083000000000, -0.0001966500000000 ]  - [  -0.0002984500000000, -0.0000148600000000, -0.0004552100000000 ]  - [   0.0002590900000000,  0.0000000000000000, -0.0006819600000000 ]  - [   0.0016273200000000,  0.0000000000000000,  0.0009826600000000 ]  - [   0.0002933500000000,  0.0000810300000000, -0.0006326300000000 ]  - [   0.0004694300000000,  0.0003424300000000, -0.0006707600000000 ]  - [   0.0002933500000000, -0.0000810300000000, -0.0006326300000000 ]  - [   0.0004694300000000, -0.0003424300000000, -0.0006707600000000 ]  - [   0.0004494500000000,  0.0000000000000000, -0.0003008500000000 ]  - [  -0.0000722600000000,  0.0000000000000000,  0.0000593000000000 ]  - [   0.0003049300000000, -0.0000956800000000, -0.0005758200000000 ]  - [   0.0000296500000000, -0.0002653200000000, -0.0005159400000000 ]  - [   0.0003049300000000,  0.0000956800000000, -0.0005758200000000 ]  - [   0.0000296500000000,  0.0002653200000000, -0.0005159400000000 ]  - [   0.0002866500000000,  0.0009758000000000, -0.0011776600000000 ]  - [  -0.0001543700000000, -0.0002380900000000,  0.0003378300000000 ]  - [  -0.0002720800000000,  0.0000000000000000,  0.0004978400000000 ]  - [  -0.0001998700000000,  0.0000000000000000,  0.0005006700000000 ]  - [   0.0002866500000000, -0.0009758000000000, -0.0011776600000000 ]  - [  -0.0001543700000000,  0.0002380900000000,  0.0003378300000000 ]  - [  -0.0000848500000000, -0.0000408500000000,  0.0010435800000000 ]  - [  -0.0003661800000000,  0.0000186100000000,  0.0008037000000000 ]  - [  -0.0003572300000000,  0.0000000000000000,  0.0007552300000000 ]  - [  -0.0004082200000000,  0.0000000000000000,  0.0007286700000000 ]  - [  -0.0000848500000000,  0.0000408500000000,  0.0010435800000000 ]  - [  -0.0003661800000000, -0.0000186100000000,  0.0008037000000000 ]  - [   0.0036059800000000,  0.0000000000000000, -0.0045403200000000 ]  - [   0.0005740400000000,  0.0000000000000000,  0.0006158000000000 ]  - [   0.0001930100000000,  0.0002819400000000,  0.0003916500000000 ]  - [   0.0005191700000000,  0.0002158000000000,  0.0006823900000000 ]  - [   0.0001930100000000, -0.0002819400000000,  0.0003916500000000 ]  - [   0.0005191700000000, -0.0002158000000000,  0.0006823900000000 ]  - [   0.0005207800000000,  0.0000000000000000,  0.0010987100000000 ]  - [   0.0002484200000000,  0.0000000000000000,  0.0008763300000000 ]  - [   0.0005348500000000, -0.0003350300000000,  0.0008728200000000 ]  - [   0.0003265500000000, -0.0000883700000000,  0.0007028400000000 ]  - [   0.0005348500000000,  0.0003350300000000,  0.0008728200000000 ]  - [   0.0003265500000000,  0.0000883700000000,  0.0007028400000000 ]  - [   0.0123045000000000,  0.0000000000000000,  0.0495866900000000 ]  - [   0.0096607400000000,  0.0000000000000000,  0.0159611300000000 ]  - [   0.0097705800000000,  0.0001302800000000,  0.0165304000000000 ]  - [   0.0096390500000000, -0.0000829500000000,  0.0157467600000000 ]  - [   0.0097705800000000, -0.0001302800000000,  0.0165304000000000 ]  - [   0.0096390500000000,  0.0000829500000000,  0.0157467600000000 ]  - [   0.0096468500000000,  0.0000000000000000,  0.0146375300000000 ]  - [   0.0096382800000000,  0.0000000000000000,  0.0151156900000000 ]  - [   0.0096777200000000, -0.0000014300000000,  0.0146961100000000 ]  - [   0.0096698000000000,  0.0000575900000000,  0.0152093200000000 ]  - [   0.0096777200000000,  0.0000014300000000,  0.0146961100000000 ]  - [   0.0096698000000000, -0.0000575900000000,  0.0152093200000000 ]  - [   0.0076328200000000,  0.0000000000000000, -0.0160057100000000 ]  - [   0.0120513700000000,  0.0000000000000000, -0.0160053500000000 ]  - [   0.0095267500000000,  0.0002377400000000, -0.0151967200000000 ]  - [   0.0097975600000000,  0.0002041200000000, -0.0151966400000000 ]  - [   0.0095267500000000, -0.0002377400000000, -0.0151967200000000 ]  - [   0.0097975600000000, -0.0002041200000000, -0.0151966400000000 ]  - [   0.0099735000000000,  0.0000000000000000, -0.0158146900000000 ]  - [   0.0095269200000000,  0.0000000000000000, -0.0158122100000000 ]  - [   0.0099408500000000, -0.0001643800000000, -0.0156918500000000 ]  - [   0.0096005400000000, -0.0000894500000000, -0.0156923500000000 ]  - [   0.0099408500000000,  0.0001643800000000, -0.0156918500000000 ]  - [   0.0096005400000000,  0.0000894500000000, -0.0156923500000000 ]  - [  -0.0093663700000000, -0.0016565800000000,  0.0134042700000000 ]  - [  -0.0097923100000000,  0.0000433800000000,  0.0152480900000000 ]  - [  -0.0096792600000000,  0.0000000000000000,  0.0154574600000000 ]  - [  -0.0096987600000000,  0.0000000000000000,  0.0154281400000000 ]  - [  -0.0093663700000000,  0.0016565800000000,  0.0134042700000000 ]  - [  -0.0097923100000000, -0.0000433800000000,  0.0152480900000000 ]  - [  -0.0099039200000000,  0.0014308500000000,  0.0133939700000000 ]  - [  -0.0096420900000000,  0.0003779600000000,  0.0152474000000000 ]  - [  -0.0096819100000000,  0.0000000000000000,  0.0154591800000000 ]  - [  -0.0096957100000000,  0.0000000000000000,  0.0154267900000000 ]  - [  -0.0099039200000000, -0.0014308500000000,  0.0133939700000000 ]  - [  -0.0096420900000000, -0.0003779600000000,  0.0152474000000000 ]  - [  -0.0091006600000000, -0.0002518700000000, -0.0150717900000000 ]  - [  -0.0112284300000000, -0.0012265200000000, -0.0152300500000000 ]  - [  -0.0096869100000000,  0.0000000000000000, -0.0152736600000000 ]  - [  -0.0096288700000000,  0.0000000000000000, -0.0152805900000000 ]  - [  -0.0091006600000000,  0.0002518700000000, -0.0150717900000000 ]  - [  -0.0112284300000000,  0.0012265200000000, -0.0152300500000000 ]  - [  -0.0099101000000000,  0.0000619400000000, -0.0158500300000000 ]  - [  -0.0095811300000000,  0.0000580900000000, -0.0157950500000000 ]  - [  -0.0097301100000000,  0.0000000000000000, -0.0156326000000000 ]  - [  -0.0096951700000000,  0.0000000000000000, -0.0155961800000000 ]  - [  -0.0099101000000000, -0.0000619400000000, -0.0158500300000000 ]  - [  -0.0095811300000000, -0.0000580900000000, -0.0157950500000000 ]