# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6ffecbb3-ea4c-4466-b665-dc8065c9a797/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 K2Mg(CO3)2 / R-3m (166) / materials id 8127](https://mdr.nims.go.jp/datasets/71d259f8-e305-4c87-bb5f-bc95ed7bfdd6)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.588566046666669,     1.494509299999998,     5.777826896666660 ] # a  - [    -2.588566043333330,     1.494509299999998,     5.777826896666660 ] # b  - [    -0.000000003333331,    -2.989018600000001,     5.777826896666660 ] # c  points:  - symbol: C  # 1    coordinates: [  0.403404990000000,  0.403405000000000,  0.403404990000000 ]    mass: 12.010700  - symbol: C  # 2    coordinates: [  0.596595000000000,  0.596595010000001,  0.596595000000000 ]    mass: 12.010700  - symbol: O  # 3    coordinates: [  0.306108000000000,  0.739879550000001,  0.739879550000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.739879550000000,  0.306108000000001,  0.739879550000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.739879550000000,  0.739879550000001,  0.306108000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.260120440000000,  0.260120450000000,  0.693892000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.260120440000000,  0.693892010000000,  0.260120440000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.693892000000000,  0.260120450000000,  0.260120440000000 ]    mass: 15.999400  - symbol: Mg # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: K  # 10    coordinates: [  0.210538400000000,  0.210538400000001,  0.210538400000000 ]    mass: 39.098300  - symbol: K  # 11    coordinates: [  0.789461610000000,  0.789461600000000,  0.789461610000000 ]    mass: 39.098300  reciprocal_lattice: # without 2pi  - [     0.193157134609637,     0.111519323663451,     0.057691817234199 ] # a*  - [    -0.193157134609637,     0.111519324094266,     0.057691817234199 ] # b*  - [     0.000000000000000,    -0.223038647757718,     0.057691817234199 ] # c*unit_cell:  lattice:  - [     5.177132090000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.588566040000000,     4.483527900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.333480689999998 ] # c  points:  - symbol: C  # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.070071660000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.263261670000000 ]    mass: 12.010700    reduced_to: 2  - symbol: C  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.403405000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.596595000000000 ]    mass: 12.010700    reduced_to: 2  - symbol: C  # 5    coordinates: [  0.666666670000000,  0.333333330000000,  0.736738330000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.929928340000000 ]    mass: 12.010700    reduced_to: 2  - symbol: O  # 7    coordinates: [  0.044152300000000,  0.522076150000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.477923850000000,  0.522076150000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.477923850000000,  0.955847700000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.188742810000000,  0.377485630000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.188742810000000,  0.811257190000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.622514370000000,  0.811257190000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.710818960000000,  0.855409480000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 14    coordinates: [  0.144590520000000,  0.855409480000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 15    coordinates: [  0.144590520000000,  0.289181040000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 16    coordinates: [  0.855409480000000,  0.710818960000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 17    coordinates: [  0.855409480000000,  0.144590520000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 18    coordinates: [  0.289181040000000,  0.144590520000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 19    coordinates: [  0.377485630000000,  0.188742810000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.811257190000000,  0.188742810000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.811257190000000,  0.622514370000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.522076150000000,  0.044152300000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.522076150000000,  0.477923850000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.955847700000000,  0.477923850000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Mg # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 25  - symbol: Mg # 26    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 24.305000    reduced_to: 25  - symbol: Mg # 27    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 24.305000    reduced_to: 25  - symbol: K  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.210538400000000 ]    mass: 39.098300    reduced_to: 28  - symbol: K  # 29    coordinates: [  0.666666670000000,  0.333333330000000,  0.122794940000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.666666670000000,  0.333333330000000,  0.543871730000000 ]    mass: 39.098300    reduced_to: 28  - symbol: K  # 31    coordinates: [  0.333333330000000,  0.666666670000000,  0.456128270000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 32    coordinates: [  0.333333330000000,  0.666666670000000,  0.877205060000000 ]    mass: 39.098300    reduced_to: 28  - symbol: K  # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.789461600000000 ]    mass: 39.098300    reduced_to: 29supercell:  lattice:  - [    10.354264179999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.177132080000000,     8.967055800000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.333480689999998 ] # c  points:  - symbol: C  # 1    coordinates: [  0.166666665000000,  0.333333335000000,  0.070071660000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.666666665000000,  0.333333335000000,  0.070071660000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 3    coordinates: [  0.166666665000000,  0.833333335000000,  0.070071660000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 4    coordinates: [  0.666666665000000,  0.833333335000000,  0.070071660000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 5    coordinates: [  0.166666665000000,  0.333333335000000,  0.263261670000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 6    coordinates: [  0.666666665000000,  0.333333335000000,  0.263261670000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 7    coordinates: [  0.166666665000000,  0.833333335000000,  0.263261670000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 8    coordinates: [  0.666666665000000,  0.833333335000000,  0.263261670000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.403405000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.403405000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.403405000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.403405000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.596595000000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.596595000000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.596595000000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.596595000000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 17    coordinates: [  0.333333335000000,  0.166666665000000,  0.736738330000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 18    coordinates: [  0.833333335000000,  0.166666665000000,  0.736738330000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 19    coordinates: [  0.333333335000000,  0.666666665000000,  0.736738330000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 20    coordinates: [  0.833333335000000,  0.666666665000000,  0.736738330000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 21    coordinates: [  0.333333335000000,  0.166666665000000,  0.929928340000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 22    coordinates: [  0.833333335000000,  0.166666665000000,  0.929928340000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 23    coordinates: [  0.333333335000000,  0.666666665000000,  0.929928340000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 24    coordinates: [  0.833333335000000,  0.666666665000000,  0.929928340000000 ]    mass: 12.010700    reduced_to: 5  - symbol: O  # 25    coordinates: [  0.022076150000000,  0.261038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.522076150000000,  0.261038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.022076150000000,  0.761038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.522076150000000,  0.761038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.238961925000000,  0.261038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.738961925000000,  0.261038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.238961925000000,  0.761038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.738961925000000,  0.761038075000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.238961925000000,  0.477923850000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.738961925000000,  0.477923850000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.238961925000000,  0.977923850000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.738961925000000,  0.977923850000000,  0.261955700000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.094371405000000,  0.188742815000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.594371405000000,  0.188742815000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.094371405000000,  0.688742815000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.594371405000000,  0.688742815000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.094371405000000,  0.405628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.594371405000000,  0.405628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.094371405000000,  0.905628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.594371405000000,  0.905628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.311257185000000,  0.405628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.811257185000000,  0.405628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.311257185000000,  0.905628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.811257185000000,  0.905628595000000,  0.071377630000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.355409480000000,  0.427704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 50    coordinates: [  0.855409480000000,  0.427704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 51    coordinates: [  0.355409480000000,  0.927704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 52    coordinates: [  0.855409480000000,  0.927704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 53    coordinates: [  0.072295260000000,  0.427704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 54    coordinates: [  0.572295260000000,  0.427704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 55    coordinates: [  0.072295260000000,  0.927704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 56    coordinates: [  0.572295260000000,  0.927704740000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 57    coordinates: [  0.072295260000000,  0.144590520000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.572295260000000,  0.144590520000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 59    coordinates: [  0.072295260000000,  0.644590520000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 60    coordinates: [  0.572295260000000,  0.644590520000000,  0.595289040000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 61    coordinates: [  0.427704740000000,  0.355409480000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.927704740000000,  0.355409480000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 63    coordinates: [  0.427704740000000,  0.855409480000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 64    coordinates: [  0.927704740000000,  0.855409480000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 65    coordinates: [  0.427704740000000,  0.072295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.927704740000000,  0.072295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 67    coordinates: [  0.427704740000000,  0.572295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 68    coordinates: [  0.927704740000000,  0.572295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 69    coordinates: [  0.144590520000000,  0.072295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.644590520000000,  0.072295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 71    coordinates: [  0.144590520000000,  0.572295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 72    coordinates: [  0.644590520000000,  0.572295260000000,  0.404710960000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 73    coordinates: [  0.188742815000000,  0.094371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 74    coordinates: [  0.688742815000000,  0.094371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 75    coordinates: [  0.188742815000000,  0.594371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 76    coordinates: [  0.688742815000000,  0.594371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 77    coordinates: [  0.405628595000000,  0.094371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 78    coordinates: [  0.905628595000000,  0.094371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 79    coordinates: [  0.405628595000000,  0.594371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 80    coordinates: [  0.905628595000000,  0.594371405000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 81    coordinates: [  0.405628595000000,  0.311257185000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 82    coordinates: [  0.905628595000000,  0.311257185000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 83    coordinates: [  0.405628595000000,  0.811257185000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 84    coordinates: [  0.905628595000000,  0.811257185000000,  0.928622370000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 85    coordinates: [  0.261038075000000,  0.022076150000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 86    coordinates: [  0.761038075000000,  0.022076150000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 87    coordinates: [  0.261038075000000,  0.522076150000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 88    coordinates: [  0.761038075000000,  0.522076150000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 89    coordinates: [  0.261038075000000,  0.238961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 90    coordinates: [  0.761038075000000,  0.238961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 91    coordinates: [  0.261038075000000,  0.738961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 92    coordinates: [  0.761038075000000,  0.738961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 93    coordinates: [  0.477923850000000,  0.238961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 94    coordinates: [  0.977923850000000,  0.238961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 95    coordinates: [  0.477923850000000,  0.738961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 96    coordinates: [  0.977923850000000,  0.738961925000000,  0.738044300000000 ]    mass: 15.999400    reduced_to: 45  - symbol: Mg # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 101    coordinates: [  0.333333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 102    coordinates: [  0.833333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 103    coordinates: [  0.333333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 104    coordinates: [  0.833333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 105    coordinates: [  0.166666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 106    coordinates: [  0.666666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 107    coordinates: [  0.166666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 24.305000    reduced_to: 97  - symbol: Mg # 108    coordinates: [  0.666666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 24.305000    reduced_to: 97  - symbol: K  # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.210538400000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 110    coordinates: [  0.500000000000000,  0.000000000000000,  0.210538400000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 111    coordinates: [  0.000000000000000,  0.500000000000000,  0.210538400000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 112    coordinates: [  0.500000000000000,  0.500000000000000,  0.210538400000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 113    coordinates: [  0.333333335000000,  0.166666665000000,  0.122794940000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 114    coordinates: [  0.833333335000000,  0.166666665000000,  0.122794940000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 115    coordinates: [  0.333333335000000,  0.666666665000000,  0.122794940000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 116    coordinates: [  0.833333335000000,  0.666666665000000,  0.122794940000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 117    coordinates: [  0.333333335000000,  0.166666665000000,  0.543871730000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 118    coordinates: [  0.833333335000000,  0.166666665000000,  0.543871730000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 119    coordinates: [  0.333333335000000,  0.666666665000000,  0.543871730000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 120    coordinates: [  0.833333335000000,  0.666666665000000,  0.543871730000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 121    coordinates: [  0.166666665000000,  0.333333335000000,  0.456128270000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 122    coordinates: [  0.666666665000000,  0.333333335000000,  0.456128270000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 123    coordinates: [  0.166666665000000,  0.833333335000000,  0.456128270000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 124    coordinates: [  0.666666665000000,  0.833333335000000,  0.456128270000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 125    coordinates: [  0.166666665000000,  0.333333335000000,  0.877205060000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 126    coordinates: [  0.666666665000000,  0.333333335000000,  0.877205060000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 127    coordinates: [  0.166666665000000,  0.833333335000000,  0.877205060000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 128    coordinates: [  0.666666665000000,  0.833333335000000,  0.877205060000000 ]    mass: 39.098300    reduced_to: 109  - symbol: K  # 129    coordinates: [  0.000000000000000,  0.000000000000000,  0.789461600000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 130    coordinates: [  0.500000000000000,  0.000000000000000,  0.789461600000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 131    coordinates: [  0.000000000000000,  0.500000000000000,  0.789461600000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 132    coordinates: [  0.500000000000000,  0.500000000000000,  0.789461600000000 ]    mass: 39.098300    reduced_to: 113displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.6740286400000000, -0.0135649300000000, -0.0002694100000000 ]  - [   0.0150717400000000, -0.0000278800000000,  0.0001513100000000 ]  - [  -0.0019310300000000, -0.0097929100000000,  0.0001448400000000 ]  - [  -0.0018904400000000,  0.0098149900000000,  0.0001570300000000 ]  - [  -0.0115702100000000, -0.0000044800000000, -0.0001657300000000 ]  - [   0.0043449700000000, -0.0000022400000000, -0.0001507100000000 ]  - [  -0.0000020600000000, -0.0025055200000000, -0.0004169400000000 ]  - [   0.0000052900000000,  0.0025092200000000,  0.0001135600000000 ]  - [  -0.0004613400000000,  0.0000027100000000,  0.0001431400000000 ]  - [   0.0002502300000000,  0.0000019700000000,  0.0001442400000000 ]  - [  -0.0000185700000000, -0.0002590700000000, -0.0000990500000000 ]  - [  -0.0000241500000000,  0.0002516400000000,  0.0003869300000000 ]  - [  -0.0000976900000000, -0.0000008500000000, -0.0001438500000000 ]  - [   0.0000869300000000,  0.0000026000000000, -0.0001437700000000 ]  - [   0.0000002400000000, -0.0000533400000000, -0.0001354200000000 ]  - [   0.0000018900000000,  0.0000531300000000, -0.0001522600000000 ]  - [  -0.0000228000000000, -0.0002565700000000, -0.0001224900000000 ]  - [  -0.0000215000000000,  0.0002579600000000,  0.0004242400000000 ]  - [  -0.0004670200000000, -0.0000007300000000,  0.0001508600000000 ]  - [   0.0002491800000000, -0.0000006100000000,  0.0001508700000000 ]  - [   0.0016948300000000, -0.0110524900000000, -0.0010764000000000 ]  - [   0.0017467000000000,  0.0109626100000000,  0.0007560800000000 ]  - [  -0.0173466100000000,  0.0000056000000000, -0.0001599500000000 ]  - [   0.0045430900000000,  0.0000052200000000, -0.0001514400000000 ]  - [   0.0049786300000000,  0.0009008400000000,  0.0037056500000000 ]  - [  -0.0026178300000000, -0.0003721900000000, -0.0012385000000000 ]  - [   0.0001106700000000,  0.0012284800000000,  0.0003679500000000 ]  - [   0.0000372400000000, -0.0011076600000000, -0.0006297700000000 ]  - [   0.0047936200000000, -0.0007827300000000, -0.0039648600000000 ]  - [  -0.0028141400000000,  0.0004836000000000,  0.0009651400000000 ]  - [  -0.0001526400000000,  0.0012146100000000,  0.0003607600000000 ]  - [  -0.0000876500000000, -0.0011235700000000, -0.0006329600000000 ]  - [   0.0034282900000000, -0.0000997700000000, -0.0001285000000000 ]  - [  -0.0020256800000000, -0.0001104600000000, -0.0001326200000000 ]  - [  -0.0000074300000000,  0.0018304800000000, -0.0007385600000000 ]  - [  -0.0000132300000000, -0.0020411600000000,  0.0004745900000000 ]  - [   0.0850255200000000,  0.0010904200000000,  0.0001824300000000 ]  - [  -0.0040462600000000,  0.0001615900000000,  0.0001637200000000 ]  - [  -0.0015849500000000,  0.0102936000000000,  0.0003403500000000 ]  - [  -0.0015930400000000, -0.0100117700000000, -0.0000134300000000 ]  - [   0.2685923100000000, -0.1053920700000000,  0.0003860600000000 ]  - [  -0.0125690600000000,  0.0029079900000000,  0.0000977600000000 ]  - [  -0.0007731300000000,  0.0029555300000000,  0.0002753500000000 ]  - [   0.0025074000000000, -0.0037833000000000, -0.0002597900000000 ]  - [   0.2877741100000000,  0.1177665300000000,  0.0003258500000000 ]  - [  -0.0128125000000000, -0.0030577200000000,  0.0002332000000000 ]  - [   0.0022619100000000,  0.0036421400000000,  0.0005927400000000 ]  - [  -0.0010875400000000, -0.0031366700000000,  0.0000568600000000 ]  - [   0.0000779500000000,  0.0000032800000000, -0.0001491900000000 ]  - [   0.0000399400000000,  0.0000601900000000, -0.0001928300000000 ]  - [   0.0000063700000000,  0.0000403300000000, -0.0001402000000000 ]  - [   0.0001124400000000,  0.0000249500000000, -0.0002031200000000 ]  - [  -0.0000448600000000,  0.0000652500000000, -0.0001948700000000 ]  - [  -0.0000831500000000,  0.0000085400000000, -0.0001513000000000 ]  - [  -0.0000092200000000,  0.0000431100000000, -0.0001411200000000 ]  - [  -0.0001159300000000,  0.0000276100000000, -0.0002037800000000 ]  - [   0.0000705700000000, -0.0000664800000000, -0.0001695500000000 ]  - [  -0.0000659200000000, -0.0000644300000000, -0.0001697600000000 ]  - [   0.0000005000000000, -0.0000193000000000, -0.0001597000000000 ]  - [   0.0000005800000000, -0.0001113600000000, -0.0001798300000000 ]  - [  -0.0000445900000000, -0.0000769300000000, -0.0001048200000000 ]  - [  -0.0000464700000000,  0.0002131700000000,  0.0004432300000000 ]  - [   0.0000364000000000,  0.0000690600000000,  0.0001686600000000 ]  - [  -0.0000076900000000,  0.0000679200000000,  0.0001690900000000 ]  - [  -0.0000813400000000,  0.0000692600000000,  0.0001069200000000 ]  - [   0.0002937000000000, -0.0002407100000000,  0.0003317600000000 ]  - [   0.0002087500000000, -0.0000992400000000,  0.0000574900000000 ]  - [  -0.0000553400000000,  0.0000284000000000,  0.0003074400000000 ]  - [   0.0001667300000000,  0.0001686000000000,  0.0000125100000000 ]  - [  -0.0002097900000000, -0.0001404400000000,  0.0002342300000000 ]  - [   0.0000801400000000,  0.0000288000000000,  0.0002860300000000 ]  - [  -0.0001794100000000, -0.0000980800000000,  0.0000337200000000 ]  - [   0.0024165000000000,  0.0032248400000000,  0.0000638500000000 ]  - [  -0.0031559000000000, -0.0032883600000000,  0.0003067300000000 ]  - [   0.0085494600000000,  0.0069392400000000, -0.0067066900000000 ]  - [  -0.0031332800000000, -0.0014115400000000,  0.0008129000000000 ]  - [  -0.0034095400000000,  0.0034521500000000, -0.0006277100000000 ]  - [   0.0020814100000000, -0.0030529100000000, -0.0004248300000000 ]  - [   0.0082946000000000, -0.0068046600000000,  0.0063965900000000 ]  - [  -0.0033942000000000,  0.0015534300000000, -0.0011378400000000 ]  - [  -0.0033381100000000,  0.0070867800000000,  0.0066583100000000 ]  - [  -0.0033301000000000, -0.0073376500000000, -0.0069341600000000 ]  - [   0.0025547700000000, -0.0001458700000000, -0.0001588100000000 ]  - [  -0.0006956700000000, -0.0001584600000000, -0.0001646400000000 ]  - [  -0.0000013900000000,  0.0003179600000000,  0.0002869000000000 ]  - [  -0.0000020000000000, -0.0001032600000000, -0.0000241100000000 ]  - [   0.0002572400000000,  0.0001078800000000,  0.0001307200000000 ]  - [  -0.0002207100000000,  0.0001049900000000,  0.0001319800000000 ]  - [   0.0002404500000000,  0.0000112700000000,  0.0004125300000000 ]  - [  -0.0000160600000000, -0.0001448800000000, -0.0001628100000000 ]  - [   0.0002997600000000, -0.0000184900000000, -0.0000077100000000 ]  - [  -0.0000388200000000, -0.0001037100000000,  0.0001949000000000 ]  - [  -0.0002092900000000,  0.0000357400000000,  0.0004320700000000 ]  - [   0.0000427800000000, -0.0001222200000000, -0.0001472300000000 ]  - [   0.0001076000000000, -0.0000899100000000,  0.0002759700000000 ]  - [  -0.0002312100000000, -0.0000051300000000,  0.0000724500000000 ]  - [  -0.0004804100000000,  0.0000497300000000,  0.0000247600000000 ]  - [   0.0016487500000000, -0.0000059400000000, -0.0000034200000000 ]  - [   0.0213952000000000, -0.0125975400000000,  0.0134699800000000 ]  - [   0.0215625200000000,  0.0127589300000000, -0.0135780300000000 ]  - [   0.0003269100000000, -0.0007005900000000,  0.0007995600000000 ]  - [   0.0003367500000000,  0.0006919100000000, -0.0009898700000000 ]  - [  -0.0008742700000000, -0.0000057500000000, -0.0000947100000000 ]  - [   0.0008911700000000, -0.0000014400000000, -0.0000945500000000 ]  - [  -0.0003848700000000,  0.0000037000000000,  0.0000956700000000 ]  - [   0.0003742700000000,  0.0000046900000000,  0.0000950700000000 ]  - [   0.0000018300000000, -0.0002099800000000,  0.0000242500000000 ]  - [   0.0000015100000000,  0.0002191600000000,  0.0001670500000000 ]  - [  -0.0007817800000000,  0.0000130100000000, -0.0000717200000000 ]  - [   0.0007427100000000, -0.0000029400000000, -0.0000566000000000 ]  - [   0.0036933100000000, -0.0025776700000000, -0.0056425500000000 ]  - [   0.0037047900000000,  0.0025960900000000,  0.0055557200000000 ]  - [   0.0080276000000000, -0.0099684400000000,  0.0038345200000000 ]  - [   0.0079839700000000,  0.0098700000000000, -0.0036549000000000 ]  - [  -0.0091744700000000,  0.0000059500000000,  0.0000739600000000 ]  - [   0.0023067200000000,  0.0000079500000000,  0.0000671100000000 ]  - [   0.0000012500000000, -0.0000460300000000, -0.0000797200000000 ]  - [   0.0000019600000000,  0.0000460700000000, -0.0000466200000000 ]  - [  -0.0000779900000000,  0.0000001800000000, -0.0000629600000000 ]  - [   0.0000771300000000, -0.0000000300000000, -0.0000635500000000 ]  - [  -0.0002205500000000, -0.0000001000000000,  0.0000629800000000 ]  - [   0.0001821700000000,  0.0000004400000000,  0.0000645100000000 ]  - [   0.0000023600000000, -0.0001038200000000,  0.0000052900000000 ]  - [   0.0000026700000000,  0.0001035100000000,  0.0001225700000000 ]  - [  -0.0050779400000000, -0.0000066200000000, -0.0000486800000000 ]  - [   0.0020197200000000, -0.0000002700000000, -0.0000691000000000 ]  - [   0.0001662600000000, -0.0010678500000000,  0.0001727600000000 ]  - [   0.0001692500000000,  0.0010706000000000, -0.0003039700000000 ]  - [  -0.0004952400000000,  0.0000010800000000,  0.0000594000000000 ]  - [   0.0004521600000000, -0.0000003900000000,  0.0000572100000000 ]  - [   0.0001201800000000, -0.0003542300000000,  0.0008235100000000 ]  - [   0.0001181000000000,  0.0003551500000000, -0.0007103900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.2468437900000000 ]  - [   0.0000000000000000,  0.0000166600000000, -0.0001683000000000 ]  - [  -0.0000144300000000, -0.0000083300000000, -0.0001683000000000 ]  - [   0.0000144300000000, -0.0000083300000000, -0.0001683000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024557900000000 ]  - [   0.0000000000000000,  0.0003068400000000, -0.0001710600000000 ]  - [  -0.0002657300000000, -0.0001534200000000, -0.0001710600000000 ]  - [   0.0002657300000000, -0.0001534200000000, -0.0001710600000000 ]  - [   0.0000000000000000, -0.0003191200000000,  0.0001385100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001470600000000 ]  - [  -0.0002763700000000,  0.0001595600000000,  0.0001385100000000 ]  - [   0.0002763700000000,  0.0001595600000000,  0.0001385100000000 ]  - [   0.0000000000000000,  0.0000087100000000, -0.0001153600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001244100000000 ]  - [   0.0000075500000000, -0.0000043600000000, -0.0001153600000000 ]  - [  -0.0000075500000000, -0.0000043600000000, -0.0001153600000000 ]  - [  -0.0002409400000000,  0.0001391100000000,  0.0001459200000000 ]  - [   0.0002409400000000,  0.0001391100000000,  0.0001459200000000 ]  - [   0.0000000000000000, -0.0002782100000000,  0.0001459200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001548900000000 ]  - [  -0.0009082100000000,  0.0005243500000000,  0.0004326000000000 ]  - [   0.0009082100000000,  0.0005243500000000,  0.0004326000000000 ]  - [   0.0000000000000000, -0.0010487100000000,  0.0004326000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000844000000000 ]  - [   0.0005802600000000,  0.0003350100000000, -0.0009800400000000 ]  - [  -0.0000363600000000, -0.0000673000000000, -0.0000651800000000 ]  - [   0.0002522300000000,  0.0001456200000000, -0.0000499000000000 ]  - [  -0.0000764700000000,  0.0000021600000000, -0.0000651800000000 ]  - [  -0.0005802600000000,  0.0003350100000000, -0.0009800400000000 ]  - [   0.0000363600000000, -0.0000673000000000, -0.0000651800000000 ]  - [   0.0000764700000000,  0.0000021600000000, -0.0000651800000000 ]  - [  -0.0002522300000000,  0.0001456200000000, -0.0000499000000000 ]  - [   0.0000000000000000, -0.0006700300000000, -0.0009800400000000 ]  - [   0.0000000000000000, -0.0002912500000000, -0.0000499000000000 ]  - [   0.0000401100000000,  0.0000651400000000, -0.0000651800000000 ]  - [  -0.0000401100000000,  0.0000651400000000, -0.0000651800000000 ]  - [   0.0000000000000000,  0.0006532600000000,  0.0800682900000000 ]  - [   0.0000000000000000,  0.0001391900000000,  0.0003096000000000 ]  - [   0.0000314900000000,  0.0001099600000000, -0.0000321700000000 ]  - [  -0.0000314900000000,  0.0001099600000000, -0.0000321700000000 ]  - [   0.0005657400000000, -0.0003266300000000,  0.0800682900000000 ]  - [   0.0000794800000000, -0.0000822500000000, -0.0000321700000000 ]  - [   0.0001109700000000, -0.0000277100000000, -0.0000321700000000 ]  - [   0.0001205400000000, -0.0000696000000000,  0.0003096000000000 ]  - [  -0.0005657400000000, -0.0003266300000000,  0.0800682900000000 ]  - [  -0.0000794800000000, -0.0000822500000000, -0.0000321700000000 ]  - [  -0.0001205400000000, -0.0000696000000000,  0.0003096000000000 ]  - [  -0.0001109700000000, -0.0000277100000000, -0.0000321700000000 ]  - [   0.0000773000000000,  0.0000446300000000, -0.0002921000000000 ]  - [   0.0000703400000000,  0.0000448900000000, -0.0002572600000000 ]  - [   0.0000714700000000,  0.0000412600000000, -0.0002575100000000 ]  - [   0.0000740400000000,  0.0000384700000000, -0.0002572600000000 ]  - [  -0.0000773000000000,  0.0000446300000000, -0.0002921000000000 ]  - [  -0.0000703400000000,  0.0000448900000000, -0.0002572600000000 ]  - [  -0.0000740400000000,  0.0000384700000000, -0.0002572600000000 ]  - [  -0.0000714700000000,  0.0000412600000000, -0.0002575100000000 ]  - [   0.0000000000000000, -0.0000892600000000, -0.0002921000000000 ]  - [   0.0000000000000000, -0.0000825200000000, -0.0002575100000000 ]  - [  -0.0000037000000000, -0.0000833600000000, -0.0002572600000000 ]  - [   0.0000037000000000, -0.0000833600000000, -0.0002572600000000 ]  - [  -0.0001258000000000, -0.0000416200000000, -0.0000108900000000 ]  - [   0.0001258000000000, -0.0000416200000000, -0.0000108900000000 ]  - [   0.0000000000000000,  0.0000508700000000,  0.0001240600000000 ]  - [   0.0000000000000000,  0.0002829400000000,  0.0001789100000000 ]  - [   0.0000440500000000, -0.0000254300000000,  0.0001240600000000 ]  - [   0.0000268600000000,  0.0001297600000000, -0.0000108900000000 ]  - [  -0.0000989400000000, -0.0000881400000000, -0.0000108900000000 ]  - [   0.0002450300000000, -0.0001414700000000,  0.0001789100000000 ]  - [  -0.0000268600000000,  0.0001297600000000, -0.0000108900000000 ]  - [  -0.0000440500000000, -0.0000254300000000,  0.0001240600000000 ]  - [   0.0000989400000000, -0.0000881400000000, -0.0000108900000000 ]  - [  -0.0002450300000000, -0.0001414700000000,  0.0001789100000000 ]  - [   0.0000237600000000, -0.0005868000000000,  0.0004696400000000 ]  - [  -0.0000343000000000, -0.0000198000000000, -0.0002497100000000 ]  - [  -0.0004963000000000,  0.0003139800000000,  0.0004696400000000 ]  - [   0.0001066700000000,  0.0000615900000000, -0.0000579000000000 ]  - [   0.0000343000000000, -0.0000198000000000, -0.0002497100000000 ]  - [  -0.0000237600000000, -0.0005868000000000,  0.0004696400000000 ]  - [   0.0004963000000000,  0.0003139800000000,  0.0004696400000000 ]  - [  -0.0001066700000000,  0.0000615900000000, -0.0000579000000000 ]  - [   0.0005200700000000,  0.0002728200000000,  0.0004696400000000 ]  - [  -0.0005200700000000,  0.0002728200000000,  0.0004696400000000 ]  - [   0.0000000000000000,  0.0000396000000000, -0.0002497100000000 ]  - [   0.0000000000000000, -0.0001231800000000, -0.0000579000000000 ]  - [   0.0000399100000000,  0.0000082200000000,  0.0000738300000000 ]  - [  -0.0000399100000000,  0.0000082200000000,  0.0000738300000000 ]  - [   0.0000000000000000,  0.0003422200000000, -0.0000866600000000 ]  - [   0.0000000000000000,  0.0001162500000000,  0.0000757500000000 ]  - [   0.0002963700000000, -0.0001711100000000, -0.0000866600000000 ]  - [  -0.0000128300000000, -0.0000386700000000,  0.0000738300000000 ]  - [   0.0000270700000000,  0.0000304500000000,  0.0000738300000000 ]  - [   0.0001006700000000, -0.0000581200000000,  0.0000757500000000 ]  - [   0.0000128300000000, -0.0000386700000000,  0.0000738300000000 ]  - [  -0.0002963700000000, -0.0001711100000000, -0.0000866600000000 ]  - [  -0.0000270700000000,  0.0000304500000000,  0.0000738300000000 ]  - [  -0.0001006700000000, -0.0000581200000000,  0.0000757500000000 ]  - [   0.0000000000000000,  0.0010420200000000,  0.0000052600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002705800000000 ]  - [   0.0009024100000000, -0.0005210100000000,  0.0000052600000000 ]  - [  -0.0009024100000000, -0.0005210100000000,  0.0000052600000000 ]  - [   0.0005982100000000, -0.0003453800000000,  0.0002587900000000 ]  - [  -0.0005982100000000, -0.0003453800000000,  0.0002587900000000 ]  - [   0.0000000000000000,  0.0006907600000000,  0.0002587900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002123200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004709900000000 ]  - [   0.0000000000000000, -0.0000313400000000,  0.0003142500000000 ]  - [   0.0000271500000000,  0.0000156700000000,  0.0003142500000000 ]  - [  -0.0000271500000000,  0.0000156700000000,  0.0003142500000000 ]  - [   0.0000000000000000, -0.0009858500000000, -0.0001076500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001435000000000 ]  - [  -0.0008537700000000,  0.0004929300000000, -0.0001076500000000 ]  - [   0.0008537700000000,  0.0004929300000000, -0.0001076500000000 ]  - [   0.0020322300000000, -0.0011733100000000, -0.0003947600000000 ]  - [  -0.0020322300000000, -0.0011733100000000, -0.0003947600000000 ]  - [   0.0000000000000000,  0.0023466200000000, -0.0003947600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000057300000000 ]  - [   0.0000153200000000, -0.0000088500000000,  0.0000818000000000 ]  - [  -0.0000153200000000, -0.0000088500000000,  0.0000818000000000 ]  - [   0.0000000000000000,  0.0000176900000000,  0.0000818000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000548000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003766300000000 ]  - [   0.0000000000000000, -0.0000111300000000,  0.0001543300000000 ]  - [   0.0000096400000000,  0.0000055600000000,  0.0001543300000000 ]  - [  -0.0000096400000000,  0.0000055600000000,  0.0001543300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044796100000000 ]  - [   0.0000000000000000, -0.0000434700000000, -0.0000851700000000 ]  - [   0.0000376500000000,  0.0000217400000000, -0.0000851700000000 ]  - [  -0.0000376500000000,  0.0000217400000000, -0.0000851700000000 ]  - [   0.0000000000000000,  0.0001594200000000,  0.0001792000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001122500000000 ]  - [   0.0001380700000000, -0.0000797100000000,  0.0001792000000000 ]  - [  -0.0001380700000000, -0.0000797100000000,  0.0001792000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.2475427600000000 ]  - [   0.0000000000000000,  0.0000031400000000,  0.0004730500000000 ]  - [  -0.0000027200000000, -0.0000015700000000,  0.0004730500000000 ]  - [   0.0000027200000000, -0.0000015700000000,  0.0004730500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027247100000000 ]  - [   0.0000000000000000, -0.0003059500000000, -0.0001344000000000 ]  - [   0.0002649600000000,  0.0001529700000000, -0.0001344000000000 ]  - [  -0.0002649600000000,  0.0001529700000000, -0.0001344000000000 ]  - [   0.0000000000000000,  0.0003123100000000,  0.0001513100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001424400000000 ]  - [   0.0002704700000000, -0.0001561500000000,  0.0001513100000000 ]  - [  -0.0002704700000000, -0.0001561500000000,  0.0001513100000000 ]  - [   0.0000000000000000, -0.0000109200000000, -0.0001749900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001659100000000 ]  - [  -0.0000094600000000,  0.0000054600000000, -0.0001749900000000 ]  - [   0.0000094600000000,  0.0000054600000000, -0.0001749900000000 ]  - [   0.0002456300000000, -0.0001418100000000,  0.0001587300000000 ]  - [  -0.0002456300000000, -0.0001418100000000,  0.0001587300000000 ]  - [   0.0000000000000000,  0.0002836200000000,  0.0001587300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001503800000000 ]  - [   0.0009244600000000, -0.0005337400000000, -0.0007334100000000 ]  - [  -0.0009244600000000, -0.0005337400000000, -0.0007334100000000 ]  - [   0.0000000000000000,  0.0010674700000000, -0.0007334100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002194600000000 ]  - [  -0.0003745200000000, -0.0002162300000000,  0.0007104800000000 ]  - [   0.0002334400000000,  0.0001828600000000, -0.0001897900000000 ]  - [  -0.0000500700000000, -0.0000289100000000, -0.0002063900000000 ]  - [   0.0002750800000000,  0.0001107400000000, -0.0001897900000000 ]  - [   0.0003745200000000, -0.0002162300000000,  0.0007104800000000 ]  - [  -0.0002334400000000,  0.0001828600000000, -0.0001897900000000 ]  - [  -0.0002750800000000,  0.0001107400000000, -0.0001897900000000 ]  - [   0.0000500700000000, -0.0000289100000000, -0.0002063900000000 ]  - [   0.0000000000000000,  0.0004324500000000,  0.0007104800000000 ]  - [   0.0000000000000000,  0.0000578200000000, -0.0002063900000000 ]  - [  -0.0000416400000000, -0.0002936000000000, -0.0001897900000000 ]  - [   0.0000416400000000, -0.0002936000000000, -0.0001897900000000 ]  - [   0.0000000000000000,  0.0011971100000000, -0.0798633600000000 ]  - [   0.0000000000000000,  0.0001627000000000,  0.0000106200000000 ]  - [  -0.0000339500000000,  0.0002266300000000,  0.0003556200000000 ]  - [   0.0000339500000000,  0.0002266300000000,  0.0003556200000000 ]  - [   0.0010367300000000, -0.0005985600000000, -0.0798633600000000 ]  - [   0.0002132400000000, -0.0000839200000000,  0.0003556200000000 ]  - [   0.0001793000000000, -0.0001427200000000,  0.0003556200000000 ]  - [   0.0001409000000000, -0.0000813500000000,  0.0000106200000000 ]  - [  -0.0010367300000000, -0.0005985600000000, -0.0798633600000000 ]  - [  -0.0002132400000000, -0.0000839200000000,  0.0003556200000000 ]  - [  -0.0001409000000000, -0.0000813500000000,  0.0000106200000000 ]  - [  -0.0001793000000000, -0.0001427200000000,  0.0003556200000000 ]  - [   0.0000520800000000,  0.0000300700000000, -0.0000465600000000 ]  - [   0.0000630300000000,  0.0000318600000000, -0.0000816600000000 ]  - [   0.0000593700000000,  0.0000342800000000, -0.0000808500000000 ]  - [   0.0000591100000000,  0.0000386600000000, -0.0000816600000000 ]  - [  -0.0000520800000000,  0.0000300700000000, -0.0000465600000000 ]  - [  -0.0000630300000000,  0.0000318600000000, -0.0000816600000000 ]  - [  -0.0000591100000000,  0.0000386600000000, -0.0000816600000000 ]  - [  -0.0000593700000000,  0.0000342800000000, -0.0000808500000000 ]  - [   0.0000000000000000, -0.0000601400000000, -0.0000465600000000 ]  - [   0.0000000000000000, -0.0000685500000000, -0.0000808500000000 ]  - [   0.0000039200000000, -0.0000705200000000, -0.0000816600000000 ]  - [  -0.0000039200000000, -0.0000705200000000, -0.0000816600000000 ]  - [   0.0001228800000000,  0.0001910700000000,  0.0003456500000000 ]  - [  -0.0001228800000000,  0.0001910700000000,  0.0003456500000000 ]  - [   0.0000000000000000,  0.0001008400000000,  0.0002137600000000 ]  - [   0.0000000000000000, -0.0001235300000000,  0.0001592200000000 ]  - [   0.0000873300000000, -0.0000504200000000,  0.0002137600000000 ]  - [   0.0001040300000000, -0.0002019600000000,  0.0003456500000000 ]  - [   0.0002269200000000,  0.0000108800000000,  0.0003456500000000 ]  - [  -0.0001069800000000,  0.0000617700000000,  0.0001592200000000 ]  - [  -0.0001040300000000, -0.0002019600000000,  0.0003456500000000 ]  - [  -0.0000873300000000, -0.0000504200000000,  0.0002137600000000 ]  - [  -0.0002269200000000,  0.0000108800000000,  0.0003456500000000 ]  - [   0.0001069800000000,  0.0000617700000000,  0.0001592200000000 ]  - [   0.0002393000000000,  0.0007525800000000, -0.0007967800000000 ]  - [   0.0003207900000000,  0.0001852100000000, -0.0000784800000000 ]  - [   0.0007714000000000, -0.0001690500000000, -0.0007967800000000 ]  - [   0.0001659800000000,  0.0000958300000000, -0.0002711000000000 ]  - [  -0.0003207900000000,  0.0001852100000000, -0.0000784800000000 ]  - [  -0.0002393000000000,  0.0007525800000000, -0.0007967800000000 ]  - [  -0.0007714000000000, -0.0001690500000000, -0.0007967800000000 ]  - [  -0.0001659800000000,  0.0000958300000000, -0.0002711000000000 ]  - [  -0.0005321000000000, -0.0005835300000000, -0.0007967800000000 ]  - [   0.0005321000000000, -0.0005835300000000, -0.0007967800000000 ]  - [   0.0000000000000000, -0.0003704200000000, -0.0000784800000000 ]  - [   0.0000000000000000, -0.0001916600000000, -0.0002711000000000 ]  - [  -0.0000408200000000,  0.0002245400000000,  0.0001869500000000 ]  - [   0.0000408200000000,  0.0002245400000000,  0.0001869500000000 ]  - [   0.0000000000000000, -0.0001173200000000,  0.0003490200000000 ]  - [   0.0000000000000000,  0.0001141100000000,  0.0001844300000000 ]  - [  -0.0001016000000000,  0.0000586600000000,  0.0003490200000000 ]  - [   0.0002148700000000, -0.0000769200000000,  0.0001869500000000 ]  - [   0.0001740500000000, -0.0001476200000000,  0.0001869500000000 ]  - [   0.0000988300000000, -0.0000570600000000,  0.0001844300000000 ]  - [  -0.0002148700000000, -0.0000769200000000,  0.0001869500000000 ]  - [   0.0001016000000000,  0.0000586600000000,  0.0003490200000000 ]  - [  -0.0001740500000000, -0.0001476200000000,  0.0001869500000000 ]  - [  -0.0000988300000000, -0.0000570600000000,  0.0001844300000000 ]  - [   0.0000000000000000, -0.0011094400000000,  0.0000393900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002905800000000 ]  - [  -0.0009608100000000,  0.0005547200000000,  0.0000393900000000 ]  - [   0.0009608100000000,  0.0005547200000000,  0.0000393900000000 ]  - [  -0.0005854400000000,  0.0003380100000000, -0.0004487200000000 ]  - [   0.0005854400000000,  0.0003380100000000, -0.0004487200000000 ]  - [   0.0000000000000000, -0.0006760100000000, -0.0004487200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000140000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002785100000000 ]  - [   0.0000000000000000,  0.0000320200000000, -0.0001220700000000 ]  - [  -0.0000277300000000, -0.0000160100000000, -0.0001220700000000 ]  - [   0.0000277300000000, -0.0000160100000000, -0.0001220700000000 ]  - [   0.0000000000000000,  0.0009648300000000, -0.0000164800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000181300000000 ]  - [   0.0008355700000000, -0.0004824200000000, -0.0000164800000000 ]  - [  -0.0008355700000000, -0.0004824200000000, -0.0000164800000000 ]  - [  -0.0020234800000000,  0.0011682600000000,  0.0005037800000000 ]  - [   0.0020234800000000,  0.0011682600000000,  0.0005037800000000 ]  - [   0.0000000000000000, -0.0023365100000000,  0.0005037800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001200400000000 ]  - [  -0.0000148700000000,  0.0000085900000000, -0.0002091500000000 ]  - [   0.0000148700000000,  0.0000085900000000, -0.0002091500000000 ]  - [   0.0000000000000000, -0.0000171700000000, -0.0002091500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001819000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002446100000000 ]  - [   0.0000000000000000,  0.0000106200000000, -0.0000268400000000 ]  - [  -0.0000092000000000, -0.0000053100000000, -0.0000268400000000 ]  - [   0.0000092000000000, -0.0000053100000000, -0.0000268400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046996800000000 ]  - [   0.0000000000000000,  0.0000457600000000, -0.0000424200000000 ]  - [  -0.0000396300000000, -0.0000228800000000, -0.0000424200000000 ]  - [   0.0000396300000000, -0.0000228800000000, -0.0000424200000000 ]  - [   0.0000000000000000, -0.0001624300000000, -0.0000617200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000060100000000 ]  - [  -0.0001406700000000,  0.0000812200000000, -0.0000617200000000 ]  - [   0.0001406700000000,  0.0000812200000000, -0.0000617200000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0049062500000000,  0.0008614100000000,  0.0006213800000000 ]  - [  -0.0027097700000000,  0.0003780700000000,  0.0000175700000000 ]  - [   0.0000188500000000,  0.0011728900000000,  0.0003026800000000 ]  - [  -0.0000583000000000, -0.0019647000000000, -0.0000242700000000 ]  - [   0.2877607800000000,  0.1179386700000000,  0.0003094500000000 ]  - [  -0.0126886600000000,  0.0037193800000000, -0.0000848200000000 ]  - [   0.0023888700000000,  0.0037180100000000, -0.0001423400000000 ]  - [  -0.0009312200000000, -0.0097827100000000, -0.0001168900000000 ]  - [   0.0084748500000000, -0.0004386400000000, -0.0004843400000000 ]  - [  -0.0032613900000000, -0.0014729900000000,  0.0001157700000000 ]  - [   0.0022529100000000,  0.0104396300000000,  0.0000415800000000 ]  - [  -0.0032797800000000, -0.0033946400000000, -0.0000322700000000 ]  - [   0.0002241700000000,  0.0000083200000000, -0.0001050900000000 ]  - [  -0.0001461400000000, -0.0001031900000000, -0.0001231400000000 ]  - [   0.0001404600000000,  0.0002505900000000,  0.0000181600000000 ]  - [  -0.0001189200000000, -0.0000680700000000, -0.0003208500000000 ]  - [  -0.0000210300000000,  0.0000397100000000,  0.0001553900000000 ]  - [   0.0000158600000000, -0.0000271000000000,  0.0001647400000000 ]  - [   0.0000522200000000, -0.0000136300000000,  0.0001592800000000 ]  - [  -0.0000518600000000,  0.0000080900000000,  0.0001577000000000 ]  - [  -0.0001123600000000,  0.0001462300000000, -0.0000372400000000 ]  - [   0.0001405100000000, -0.0000685000000000, -0.0003504400000000 ]  - [   0.0002020000000000, -0.0000972900000000, -0.0000778700000000 ]  - [  -0.0001407000000000,  0.0000399300000000, -0.0001523300000000 ]  - [  -0.4267886700000000, -0.1798512700000000,  0.0119195100000000 ]  - [   0.0110901200000000,  0.0022441700000000, -0.0001505900000000 ]  - [  -0.0015635400000000, -0.0021620300000000, -0.0002153000000000 ]  - [   0.0046842300000000,  0.0059275300000000, -0.0001297100000000 ]  - [   0.1078988300000000,  0.0010616200000000,  0.0013362700000000 ]  - [   0.0163014800000000, -0.0048075700000000,  0.0001191600000000 ]  - [  -0.0012127600000000, -0.0002318600000000, -0.0002457800000000 ]  - [  -0.0012068800000000,  0.0028503600000000,  0.0001838700000000 ]  - [   0.0068562800000000,  0.0565381800000000,  0.0014342000000000 ]  - [   0.0030236600000000, -0.0021903400000000, -0.0000320400000000 ]  - [   0.0003550800000000, -0.0037579900000000, -0.0000550100000000 ]  - [   0.0018177800000000,  0.0132034600000000,  0.0001456800000000 ]  - [  -0.0016023200000000, -0.0003481900000000,  0.0000647100000000 ]  - [   0.0012588200000000,  0.0000176200000000,  0.0004267900000000 ]  - [  -0.0002182500000000, -0.0008335700000000,  0.0004488900000000 ]  - [   0.0002130700000000,  0.0015339100000000, -0.0003447100000000 ]  - [  -0.0024651600000000, -0.0001730300000000,  0.0012652900000000 ]  - [   0.0019002200000000, -0.0005645200000000, -0.0004038100000000 ]  - [   0.0001972800000000, -0.0006298600000000, -0.0001785600000000 ]  - [   0.0002049800000000,  0.0010707800000000,  0.0004833800000000 ]  - [  -0.0022383500000000, -0.0008620500000000, -0.0019091200000000 ]  - [   0.0013922100000000, -0.0000818800000000,  0.0010168700000000 ]  - [  -0.0001783700000000, -0.0003931100000000, -0.0001333600000000 ]  - [  -0.0001228700000000,  0.0008023700000000,  0.0004981000000000 ]  - [   0.0000413200000000,  0.0000495700000000,  0.0000167800000000 ]  - [   0.0000579200000000, -0.0000778900000000, -0.0004217300000000 ]  - [   0.0001465600000000,  0.0000579500000000, -0.0001605000000000 ]  - [  -0.0000393100000000,  0.0000708300000000, -0.0002825200000000 ]  - [  -0.0002109900000000, -0.0000298500000000, -0.0003339700000000 ]  - [   0.0000825000000000,  0.0000278700000000, -0.0000520400000000 ]  - [  -0.0001659000000000,  0.0000208900000000, -0.0001499100000000 ]  - [   0.0000029200000000,  0.0001227800000000, -0.0002359500000000 ]  - [  -0.0001426500000000, -0.0000996100000000, -0.0002048400000000 ]  - [   0.0001309200000000, -0.0000094100000000, -0.0002438900000000 ]  - [  -0.0000391600000000, -0.0002268600000000, -0.0002408600000000 ]  - [   0.0000423900000000,  0.0000312500000000, -0.0000496000000000 ]  - [   0.0016454900000000,  0.0024591500000000,  0.0032623800000000 ]  - [   0.0019253100000000, -0.0078695500000000, -0.0069699900000000 ]  - [   0.0004899100000000,  0.0013574400000000,  0.0004661100000000 ]  - [  -0.0012551400000000,  0.0007845800000000,  0.0003423000000000 ]  - [   0.0019482100000000, -0.0005350800000000,  0.0006003500000000 ]  - [  -0.0056725300000000,  0.0035232500000000, -0.0031961100000000 ]  - [   0.0014175700000000,  0.0007688200000000,  0.0022595800000000 ]  - [   0.0014276900000000, -0.0025768600000000,  0.0004059100000000 ]  - [  -0.0042918300000000, -0.0028166500000000,  0.0025967100000000 ]  - [   0.0027263500000000,  0.0016501100000000, -0.0009549800000000 ]  - [  -0.0042661200000000, -0.0028082800000000,  0.0017595400000000 ]  - [   0.0027073300000000,  0.0016855700000000, -0.0002924000000000 ]  - [   0.0001282900000000,  0.0000546800000000, -0.0002850100000000 ]  - [   0.0001183300000000,  0.0000935200000000, -0.0000278600000000 ]  - [   0.0000277800000000,  0.0000176900000000, -0.0001961400000000 ]  - [   0.0002245100000000,  0.0001030400000000, -0.0001979400000000 ]  - [   0.0000093300000000,  0.0000450000000000, -0.0002113100000000 ]  - [  -0.0002871600000000,  0.0001150800000000, -0.0001233400000000 ]  - [  -0.0002365100000000,  0.0002031500000000, -0.0003278200000000 ]  - [  -0.0000718700000000, -0.0000163600000000, -0.0001268600000000 ]  - [   0.0000829400000000, -0.0002425000000000, -0.0003256600000000 ]  - [  -0.0000545300000000, -0.0001408900000000, -0.0000365700000000 ]  - [   0.0000208100000000, -0.0000613000000000, -0.0002058100000000 ]  - [  -0.0000270700000000, -0.0001791200000000, -0.0001898700000000 ]  - [   0.0000001500000000,  0.0000782600000000,  0.0000955600000000 ]  - [  -0.0000033800000000,  0.0001366800000000,  0.0001109500000000 ]  - [  -0.0000433400000000,  0.0001118200000000,  0.0001054900000000 ]  - [   0.0000394100000000,  0.0000991700000000,  0.0001112000000000 ]  - [   0.0001014000000000, -0.0000871300000000,  0.0001224300000000 ]  - [   0.0001024500000000, -0.0000417900000000,  0.0000974200000000 ]  - [   0.0000624800000000, -0.0000518000000000,  0.0000862800000000 ]  - [   0.0001355700000000, -0.0000498100000000,  0.0001315800000000 ]  - [  -0.0000717600000000, -0.0000690600000000,  0.0001235000000000 ]  - [  -0.0001173400000000, -0.0000464900000000,  0.0000930300000000 ]  - [  -0.0001208000000000, -0.0000377300000000,  0.0001262800000000 ]  - [  -0.0000665800000000, -0.0000545100000000,  0.0000889400000000 ]  - [   0.0005624000000000,  0.0001002500000000,  0.0001656000000000 ]  - [  -0.0005670800000000, -0.0003299300000000, -0.0000868200000000 ]  - [   0.0002985500000000,  0.0004802100000000, -0.0003600800000000 ]  - [  -0.0004864200000000, -0.0002810200000000,  0.0005839600000000 ]  - [  -0.0099653200000000,  0.0071004200000000, -0.0084008100000000 ]  - [   0.0055485000000000,  0.0007836700000000, -0.0023713900000000 ]  - [   0.0015388700000000, -0.0079016000000000, -0.0055299500000000 ]  - [  -0.0009840100000000,  0.0003874600000000,  0.0000180800000000 ]  - [   0.0002236800000000,  0.0000482200000000,  0.0001384800000000 ]  - [  -0.0002422000000000,  0.0000291300000000,  0.0001730400000000 ]  - [   0.0000040300000000,  0.0000966000000000,  0.0002054700000000 ]  - [  -0.0000267500000000, -0.0001643600000000,  0.0001136700000000 ]  - [   0.0061011800000000, -0.0018791200000000, -0.0011679100000000 ]  - [  -0.0016121500000000, -0.0008890800000000, -0.0002434900000000 ]  - [   0.0035594100000000,  0.0009716200000000,  0.0006037100000000 ]  - [  -0.0040747100000000, -0.0031256300000000,  0.0015969400000000 ]  - [  -0.0017381300000000,  0.0011580000000000,  0.0026607900000000 ]  - [  -0.0002295900000000, -0.0008675400000000, -0.0023604800000000 ]  - [   0.0004821600000000, -0.0012890700000000,  0.0016517700000000 ]  - [  -0.0004317100000000,  0.0002640500000000,  0.0000111900000000 ]  - [  -0.0000731600000000,  0.0002363600000000, -0.0003726000000000 ]  - [  -0.0000179400000000, -0.0002221200000000,  0.0005244300000000 ]  - [   0.0002968700000000, -0.0000872300000000, -0.0002058700000000 ]  - [  -0.0002843000000000, -0.0000154700000000, -0.0000237400000000 ]  - [   0.0022267900000000,  0.0005782800000000, -0.0005730400000000 ]  - [  -0.0013018300000000,  0.0001208300000000,  0.0003540000000000 ]  - [   0.0000424400000000,  0.0003885600000000, -0.0000926300000000 ]  - [  -0.0001751000000000, -0.0008837600000000,  0.0002095200000000 ]  - [   0.0001192400000000,  0.0000348800000000,  0.0000278400000000 ]  - [  -0.0001079800000000,  0.0000097700000000, -0.0000905200000000 ]  - [   0.0000198900000000,  0.0000400300000000,  0.0000164400000000 ]  - [  -0.0000208400000000, -0.0000844100000000, -0.0000636300000000 ]  - [   0.0000472100000000,  0.0000001100000000,  0.0000940000000000 ]  - [  -0.0000474700000000, -0.0000210200000000,  0.0000927600000000 ]  - [   0.0000181100000000,  0.0000382300000000,  0.0001061900000000 ]  - [  -0.0000189900000000, -0.0000171200000000,  0.0000796800000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0048617300000000, -0.0008248400000000, -0.0003333800000000 ]  - [   0.0027074300000000, -0.0003778000000000,  0.0002861600000000 ]  - [  -0.0000036600000000, -0.0011766300000000,  0.0000000900000000 ]  - [   0.0000463600000000,  0.0019583500000000,  0.0003264700000000 ]  - [  -0.2685635000000000, -0.1052088500000000, -0.0001760600000000 ]  - [   0.0126724000000000, -0.0037563800000000, -0.0002181600000000 ]  - [  -0.0023701000000000, -0.0036961300000000, -0.0001608800000000 ]  - [   0.0009301500000000,  0.0097504000000000, -0.0001850000000000 ]  - [  -0.0083672000000000,  0.0003913400000000,  0.0007814200000000 ]  - [   0.0032535200000000,  0.0014809000000000,  0.0001736600000000 ]  - [  -0.0022546100000000, -0.0104194600000000,  0.0002559000000000 ]  - [   0.0032799300000000,  0.0033476500000000,  0.0003214500000000 ]  - [  -0.0002237900000000, -0.0000128500000000, -0.0001815000000000 ]  - [   0.0001475700000000,  0.0001054100000000, -0.0001655200000000 ]  - [  -0.0001435200000000, -0.0002493100000000, -0.0003063100000000 ]  - [   0.0001216400000000,  0.0000626600000000,  0.0000315500000000 ]  - [   0.0000197900000000, -0.0000334800000000,  0.0001471500000000 ]  - [  -0.0000243200000000,  0.0000271100000000,  0.0001380300000000 ]  - [  -0.0000542800000000,  0.0000154000000000,  0.0001435400000000 ]  - [   0.0000480700000000, -0.0000075800000000,  0.0001448500000000 ]  - [   0.0001221700000000, -0.0001419200000000, -0.0002635500000000 ]  - [  -0.0001443700000000,  0.0000670500000000,  0.0000490300000000 ]  - [  -0.0002006300000000,  0.0000985100000000, -0.0002236800000000 ]  - [   0.0001344200000000, -0.0000517600000000, -0.0001494300000000 ]  - [   0.4062481500000000,  0.1672397200000000, -0.0132200600000000 ]  - [  -0.0108544100000000, -0.0021216900000000, -0.0001120900000000 ]  - [   0.0017360700000000,  0.0022681300000000, -0.0000486100000000 ]  - [  -0.0044870300000000, -0.0058145400000000, -0.0001324900000000 ]  - [  -0.1052296200000000, -0.0007737900000000, -0.0016155900000000 ]  - [  -0.0166188300000000,  0.0049185400000000, -0.0003905300000000 ]  - [   0.0010091800000000,  0.0003436100000000, -0.0000196300000000 ]  - [   0.0010068400000000, -0.0027188900000000, -0.0004509900000000 ]  - [  -0.0072029900000000, -0.0565209300000000, -0.0017059200000000 ]  - [  -0.0030164900000000,  0.0019956100000000, -0.0002274000000000 ]  - [  -0.0003594600000000,  0.0035062600000000, -0.0002067300000000 ]  - [  -0.0018022100000000, -0.0134432000000000, -0.0004046000000000 ]  - [   0.0015867400000000,  0.0006346100000000,  0.0002868100000000 ]  - [  -0.0012576800000000,  0.0002852600000000, -0.0001061700000000 ]  - [   0.0002142300000000,  0.0011327900000000, -0.0001262200000000 ]  - [  -0.0002149200000000, -0.0012253800000000,  0.0006665800000000 ]  - [   0.0027325400000000,  0.0000097800000000, -0.0009162600000000 ]  - [  -0.0016166500000000,  0.0004055400000000,  0.0007293800000000 ]  - [   0.0000622600000000,  0.0004780800000000,  0.0005143000000000 ]  - [   0.0000754100000000, -0.0012298600000000, -0.0001525400000000 ]  - [   0.0019448700000000,  0.0006996500000000,  0.0022254800000000 ]  - [  -0.0016539800000000, -0.0000657100000000, -0.0006929400000000 ]  - [  -0.0000876000000000,  0.0002422400000000,  0.0004576700000000 ]  - [  -0.0001310700000000, -0.0009430400000000, -0.0001654900000000 ]  - [   0.0000784300000000,  0.0000145700000000, -0.0003588400000000 ]  - [   0.0000656200000000,  0.0001433000000000,  0.0000800200000000 ]  - [  -0.0000256700000000,  0.0000078500000000, -0.0001820100000000 ]  - [   0.0001614400000000, -0.0000038800000000, -0.0000618700000000 ]  - [   0.0000779500000000,  0.0001059000000000, -0.0000131600000000 ]  - [  -0.0002157800000000,  0.0000488800000000, -0.0002922500000000 ]  - [   0.0000289900000000,  0.0000564500000000, -0.0001975300000000 ]  - [  -0.0001349500000000, -0.0000435100000000, -0.0001108400000000 ]  - [   0.0001446200000000, -0.0000375700000000, -0.0001376700000000 ]  - [  -0.0001247900000000, -0.0001257600000000, -0.0000945700000000 ]  - [   0.0000434600000000,  0.0000889900000000, -0.0000984600000000 ]  - [  -0.0000378000000000, -0.0001582400000000, -0.0002902700000000 ]  - [  -0.0016447100000000, -0.0022881400000000, -0.0028931800000000 ]  - [  -0.0019073000000000,  0.0080036200000000,  0.0073302300000000 ]  - [  -0.0004919300000000, -0.0012181100000000, -0.0001290300000000 ]  - [   0.0012386000000000, -0.0006132000000000, -0.0000025100000000 ]  - [  -0.0018003800000000,  0.0004475500000000, -0.0002511100000000 ]  - [   0.0057716300000000, -0.0035251300000000,  0.0034604100000000 ]  - [  -0.0012949100000000, -0.0008380300000000, -0.0019172400000000 ]  - [  -0.0012823600000000,  0.0024931000000000, -0.0000630300000000 ]  - [   0.0041145200000000,  0.0027295600000000, -0.0022473400000000 ]  - [  -0.0028457200000000, -0.0017188800000000,  0.0012997200000000 ]  - [   0.0041321400000000,  0.0027308400000000, -0.0014196200000000 ]  - [  -0.0028125900000000, -0.0017338800000000,  0.0006334100000000 ]  - [   0.0001298500000000,  0.0000913100000000, -0.0000406900000000 ]  - [   0.0001554200000000,  0.0000586500000000, -0.0002997100000000 ]  - [   0.0002338700000000,  0.0001273000000000, -0.0001301600000000 ]  - [   0.0000446200000000,  0.0000472400000000, -0.0001287000000000 ]  - [  -0.0002892000000000,  0.0001165600000000, -0.0001200000000000 ]  - [   0.0000108100000000,  0.0000463500000000, -0.0002050400000000 ]  - [  -0.0000350800000000, -0.0000469200000000, -0.0000027100000000 ]  - [  -0.0002030500000000,  0.0001727000000000, -0.0002047900000000 ]  - [  -0.0000791900000000, -0.0000635200000000,  0.0000016100000000 ]  - [   0.0000610300000000, -0.0001640100000000, -0.0002867900000000 ]  - [  -0.0000164300000000, -0.0002388600000000, -0.0001194000000000 ]  - [   0.0000294500000000, -0.0001156500000000, -0.0001349600000000 ]  - [  -0.0000045400000000,  0.0001383600000000,  0.0001656900000000 ]  - [   0.0000000500000000,  0.0000868500000000,  0.0001499700000000 ]  - [   0.0000387900000000,  0.0001079200000000,  0.0001555600000000 ]  - [  -0.0000415200000000,  0.0001188600000000,  0.0001498600000000 ]  - [   0.0001046100000000, -0.0000318000000000,  0.0001451000000000 ]  - [   0.0001066200000000, -0.0000782500000000,  0.0001697100000000 ]  - [   0.0001403800000000, -0.0000654100000000,  0.0001816700000000 ]  - [   0.0000701100000000, -0.0000669300000000,  0.0001364100000000 ]  - [  -0.0001226800000000, -0.0000382100000000,  0.0001404800000000 ]  - [  -0.0000734800000000, -0.0000589400000000,  0.0001702700000000 ]  - [  -0.0000711900000000, -0.0000679900000000,  0.0001385100000000 ]  - [  -0.0001223600000000, -0.0000505600000000,  0.0001743300000000 ]  - [  -0.0005603200000000, -0.0001074000000000, -0.0001742000000000 ]  - [   0.0005651200000000,  0.0003334200000000,  0.0000910800000000 ]  - [  -0.0003073500000000, -0.0004771200000000,  0.0003587300000000 ]  - [   0.0004928500000000,  0.0002794800000000, -0.0005824200000000 ]  - [   0.0099365800000000, -0.0070362400000000,  0.0081313600000000 ]  - [  -0.0063469600000000, -0.0013273900000000,  0.0029413900000000 ]  - [  -0.0015280600000000,  0.0079024500000000,  0.0053503600000000 ]  - [   0.0009969200000000, -0.0004186000000000, -0.0002185800000000 ]  - [  -0.0002382200000000, -0.0000377500000000,  0.0000549800000000 ]  - [   0.0002253800000000, -0.0000196700000000,  0.0000195500000000 ]  - [  -0.0000182500000000, -0.0000881200000000, -0.0000126500000000 ]  - [   0.0000097800000000,  0.0001720000000000,  0.0000806300000000 ]  - [  -0.0060688600000000,  0.0018114700000000,  0.0010185400000000 ]  - [   0.0016101000000000,  0.0008995200000000,  0.0001208600000000 ]  - [  -0.0036483100000000, -0.0008366300000000, -0.0007837700000000 ]  - [   0.0040667900000000,  0.0030909000000000, -0.0017071000000000 ]  - [   0.0017394700000000, -0.0011454800000000, -0.0025000300000000 ]  - [   0.0001703700000000,  0.0008455200000000,  0.0024390900000000 ]  - [  -0.0004817600000000,  0.0012943200000000, -0.0015151700000000 ]  - [   0.0004319500000000, -0.0002721700000000,  0.0001259300000000 ]  - [   0.0000770900000000, -0.0002337900000000,  0.0002377800000000 ]  - [   0.0000128400000000,  0.0002235000000000, -0.0006540000000000 ]  - [  -0.0002960100000000,  0.0000885500000000,  0.0000733700000000 ]  - [   0.0002837500000000,  0.0000125100000000, -0.0001086000000000 ]  - [  -0.0022086500000000, -0.0005648500000000,  0.0007301000000000 ]  - [   0.0012982600000000, -0.0001213500000000, -0.0002253400000000 ]  - [  -0.0000381900000000, -0.0003888400000000,  0.0002262700000000 ]  - [   0.0001691700000000,  0.0008783600000000, -0.0000738700000000 ]  - [  -0.0001180100000000, -0.0000342500000000, -0.0001666100000000 ]  - [   0.0001083600000000, -0.0000092400000000, -0.0000458100000000 ]  - [  -0.0000188100000000, -0.0000401500000000, -0.0001531000000000 ]  - [   0.0000214700000000,  0.0000833400000000, -0.0000725400000000 ]  - [  -0.0000466600000000,  0.0000002700000000,  0.0000298900000000 ]  - [   0.0000468500000000,  0.0000212800000000,  0.0000305200000000 ]  - [  -0.0000184200000000, -0.0000371300000000,  0.0000175500000000 ]  - [   0.0000192800000000,  0.0000173700000000,  0.0000445000000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0037987900000000,  0.0021932300000000, -0.0006905200000000 ]  - [  -0.0010918500000000,  0.0000618900000000,  0.0002123400000000 ]  - [   0.0004967200000000,  0.0002867800000000,  0.0002279100000000 ]  - [  -0.0004923300000000, -0.0009765100000000,  0.0002123400000000 ]  - [  -0.0010174100000000, -0.0005874000000000,  0.0797284300000000 ]  - [   0.0000869400000000, -0.0001548400000000, -0.0003452700000000 ]  - [   0.0004176000000000,  0.0002411000000000, -0.0000021000000000 ]  - [  -0.0000906200000000,  0.0001527100000000, -0.0003452700000000 ]  - [  -0.0065859800000000,  0.0040780900000000,  0.0007840800000000 ]  - [   0.0009822200000000,  0.0005670900000000,  0.0002512900000000 ]  - [   0.0002387400000000, -0.0077426700000000,  0.0007840800000000 ]  - [   0.0004735400000000,  0.0002734000000000,  0.0000609400000000 ]  - [  -0.0001544600000000,  0.0002310400000000, -0.0003217200000000 ]  - [   0.0000642600000000,  0.0000371000000000, -0.0001880600000000 ]  - [   0.0001228600000000, -0.0002492900000000, -0.0003217200000000 ]  - [  -0.0001400700000000, -0.0000808700000000, -0.0001326400000000 ]  - [  -0.0000252900000000, -0.0000241200000000,  0.0000641400000000 ]  - [   0.0000214200000000,  0.0000123700000000,  0.0000295300000000 ]  - [  -0.0000335300000000, -0.0000098500000000,  0.0000641400000000 ]  - [   0.0000273000000000,  0.0000157600000000,  0.0000631900000000 ]  - [   0.0002985800000000, -0.0000098300000000, -0.0002068100000000 ]  - [  -0.0002792800000000, -0.0001612400000000, -0.0003666700000000 ]  - [   0.0001407800000000,  0.0002634900000000, -0.0002068100000000 ]  - [  -0.0000546400000000, -0.0000315400000000, -0.0002040700000000 ]  - [   0.0143029000000000,  0.0082577800000000, -0.0549126000000000 ]  - [   0.0000581500000000,  0.0000576500000000, -0.0001362000000000 ]  - [   0.0000175900000000,  0.0000101600000000, -0.0013516500000000 ]  - [   0.0000790000000000,  0.0000215300000000, -0.0001362000000000 ]  - [  -0.0017978400000000,  0.0009963600000000, -0.0261249900000000 ]  - [  -0.0003596400000000,  0.0002261600000000, -0.0022810300000000 ]  - [  -0.0004080500000000, -0.0000170800000000, -0.0007662200000000 ]  - [   0.0000107100000000,  0.0002114800000000, -0.0007679200000000 ]  - [  -0.0000360400000000, -0.0020551600000000, -0.0261249900000000 ]  - [   0.0001885000000000, -0.0000964700000000, -0.0007679200000000 ]  - [  -0.0002188100000000, -0.0003448400000000, -0.0007662200000000 ]  - [   0.0000160400000000, -0.0004245300000000, -0.0022810300000000 ]  - [  -0.0011919300000000, -0.0004097700000000,  0.0022376000000000 ]  - [   0.0006286600000000,  0.0001841800000000,  0.0002664600000000 ]  - [  -0.0000513500000000, -0.0001885500000000,  0.0002682200000000 ]  - [   0.0000592900000000,  0.0007608400000000, -0.0000023400000000 ]  - [  -0.0009508400000000, -0.0008273600000000,  0.0022376000000000 ]  - [   0.0006885500000000, -0.0003290700000000, -0.0000023400000000 ]  - [  -0.0001889700000000,  0.0000498100000000,  0.0002682200000000 ]  - [   0.0004738300000000,  0.0004523500000000,  0.0002664600000000 ]  - [  -0.0021764300000000, -0.0012565600000000, -0.0004113000000000 ]  - [   0.0007209800000000, -0.0001839900000000,  0.0004976900000000 ]  - [  -0.0004186800000000, -0.0002417300000000,  0.0000662900000000 ]  - [   0.0002011500000000,  0.0007163800000000,  0.0004976900000000 ]  - [   0.0002017400000000,  0.0001164800000000,  0.0001211700000000 ]  - [  -0.0000656100000000,  0.0000672400000000,  0.0002441300000000 ]  - [   0.0000299200000000,  0.0000172700000000,  0.0000554300000000 ]  - [   0.0000254300000000, -0.0000904400000000,  0.0002441300000000 ]  - [  -0.0001120500000000,  0.0001632800000000,  0.0003151700000000 ]  - [  -0.0000168600000000,  0.0000161200000000,  0.0000314700000000 ]  - [   0.0000929600000000, -0.0000558400000000,  0.0001350600000000 ]  - [  -0.0001049000000000, -0.0000127800000000,  0.0000918200000000 ]  - [   0.0000853800000000, -0.0001786700000000,  0.0003151700000000 ]  - [  -0.0000635100000000, -0.0000844600000000,  0.0000918200000000 ]  - [  -0.0000018800000000,  0.0001084200000000,  0.0001350600000000 ]  - [   0.0000055300000000, -0.0000226600000000,  0.0000314700000000 ]  - [  -0.0000695200000000, -0.0001566500000000, -0.0006339200000000 ]  - [  -0.0038582200000000,  0.0061670800000000,  0.0061135900000000 ]  - [  -0.0001281000000000, -0.0003404400000000, -0.0001132300000000 ]  - [   0.0009942900000000, -0.0029107200000000, -0.0006276100000000 ]  - [  -0.0003588800000000,  0.0000592800000000, -0.0001132300000000 ]  - [   0.0034117400000000, -0.0064248500000000,  0.0061135900000000 ]  - [  -0.0001704300000000,  0.0000181200000000, -0.0006339200000000 ]  - [  -0.0020236100000000,  0.0023164400000000, -0.0006276100000000 ]  - [   0.0023656300000000,  0.0004028000000000, -0.0001121000000000 ]  - [  -0.0012013200000000, -0.0006935800000000,  0.0001302000000000 ]  - [   0.0015316500000000,  0.0018472900000000, -0.0001121000000000 ]  - [  -0.0005338200000000, -0.0003082000000000,  0.0000627500000000 ]  - [  -0.0001185700000000,  0.0000915200000000,  0.0002504400000000 ]  - [   0.0003162100000000,  0.0001825600000000,  0.0001284000000000 ]  - [   0.0000199700000000, -0.0001484500000000,  0.0002504400000000 ]  - [   0.0001342600000000,  0.0000775100000000,  0.0000638500000000 ]  - [  -0.0002563100000000,  0.0001477200000000,  0.0000406500000000 ]  - [   0.0000291300000000,  0.0001308200000000,  0.0003204100000000 ]  - [  -0.0001537400000000, -0.0000188400000000,  0.0001417200000000 ]  - [  -0.0000687400000000,  0.0000254200000000,  0.0000991600000000 ]  - [  -0.0000931800000000, -0.0001237200000000,  0.0001417200000000 ]  - [   0.0001278600000000, -0.0000401900000000,  0.0003204100000000 ]  - [  -0.0000002200000000, -0.0002958300000000,  0.0000406500000000 ]  - [  -0.0000123500000000, -0.0000722400000000,  0.0000991600000000 ]  - [   0.0000112000000000,  0.0001601000000000,  0.0004436300000000 ]  - [  -0.0000174800000000,  0.0001378900000000,  0.0004649900000000 ]  - [   0.0000159100000000,  0.0001490300000000,  0.0004661100000000 ]  - [  -0.0000159800000000,  0.0001231000000000,  0.0004403000000000 ]  - [   0.0001370200000000, -0.0000607400000000,  0.0004661100000000 ]  - [   0.0001106700000000, -0.0000840800000000,  0.0004649900000000 ]  - [   0.0001442600000000, -0.0000703500000000,  0.0004436300000000 ]  - [   0.0000986200000000, -0.0000753900000000,  0.0004403000000000 ]  - [  -0.0001013600000000, -0.0000550200000000,  0.0004209800000000 ]  - [  -0.0001342700000000, -0.0000775200000000,  0.0005093700000000 ]  - [  -0.0000983200000000, -0.0000602700000000,  0.0004209800000000 ]  - [  -0.0001337200000000, -0.0000772000000000,  0.0004573700000000 ]  - [   0.0002598600000000, -0.0008586000000000, -0.0010717700000000 ]  - [  -0.0002680100000000, -0.0001547400000000, -0.0004442400000000 ]  - [  -0.0006136400000000,  0.0006543400000000, -0.0010717700000000 ]  - [   0.0003699500000000,  0.0002135900000000, -0.0005930100000000 ]  - [  -0.0004052400000000, -0.0009848100000000,  0.0014501500000000 ]  - [  -0.0043822200000000, -0.0025300700000000,  0.0127855200000000 ]  - [  -0.0010554900000000,  0.0001414600000000,  0.0014501500000000 ]  - [   0.0005037200000000,  0.0002908200000000,  0.0018632400000000 ]  - [  -0.0001129300000000, -0.0000652000000000, -0.0008208000000000 ]  - [   0.0001084600000000,  0.0000390400000000, -0.0006837900000000 ]  - [  -0.0000892400000000, -0.0000515200000000, -0.0007164300000000 ]  - [   0.0000880400000000,  0.0000744100000000, -0.0006837900000000 ]  - [  -0.0006842700000000,  0.0012792900000000,  0.0028236600000000 ]  - [  -0.0001624700000000, -0.0000938000000000,  0.0006309200000000 ]  - [   0.0007657700000000, -0.0012322400000000,  0.0028236600000000 ]  - [   0.0002040000000000,  0.0001177800000000,  0.0002798000000000 ]  - [   0.0004800600000000,  0.0000712800000000,  0.0004974800000000 ]  - [  -0.0012581800000000, -0.0007264100000000,  0.0006569500000000 ]  - [   0.0003017600000000,  0.0003801000000000,  0.0004974800000000 ]  - [  -0.0001759800000000, -0.0001016000000000,  0.0002745500000000 ]  - [  -0.0001906900000000, -0.0000752800000000, -0.0003849500000000 ]  - [   0.0002904400000000,  0.0001676900000000, -0.0009062500000000 ]  - [  -0.0001605400000000, -0.0001275000000000, -0.0003849500000000 ]  - [   0.0001524500000000,  0.0000880200000000, -0.0004671200000000 ]  - [  -0.0015928400000000, -0.0009196200000000, -0.0017212000000000 ]  - [   0.0006441400000000,  0.0000984900000000,  0.0000358600000000 ]  - [  -0.0002621000000000, -0.0001513200000000,  0.0000459000000000 ]  - [   0.0004073700000000,  0.0005086000000000,  0.0000358600000000 ]  - [   0.0000598700000000,  0.0000345700000000, -0.0006979400000000 ]  - [  -0.0000458500000000,  0.0000339100000000, -0.0004903100000000 ]  - [  -0.0000075300000000, -0.0000043400000000, -0.0004550800000000 ]  - [   0.0000064400000000, -0.0000566600000000, -0.0004903100000000 ]  - [   0.0000100000000000, -0.0000272700000000, -0.0004232600000000 ]  - [  -0.0000102900000000, -0.0000059400000000, -0.0003759600000000 ]  - [  -0.0000186200000000,  0.0000223000000000, -0.0004232600000000 ]  - [   0.0000162900000000,  0.0000094100000000, -0.0003630100000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0038653300000000, -0.0022316500000000,  0.0010029600000000 ]  - [   0.0011118600000000, -0.0000700000000000,  0.0000902300000000 ]  - [  -0.0005009500000000, -0.0002892200000000,  0.0000736900000000 ]  - [   0.0004953100000000,  0.0009979000000000,  0.0000902300000000 ]  - [  -0.0009321600000000, -0.0005381800000000, -0.0802114300000000 ]  - [  -0.0000450900000000,  0.0001668800000000,  0.0000431900000000 ]  - [  -0.0004375100000000, -0.0002526000000000, -0.0003006300000000 ]  - [   0.0001219800000000, -0.0001224900000000,  0.0000431900000000 ]  - [   0.0065121900000000, -0.0040468900000000, -0.0004819300000000 ]  - [  -0.0009626800000000, -0.0005558100000000,  0.0000387600000000 ]  - [  -0.0002486100000000,  0.0076631700000000, -0.0004819300000000 ]  - [  -0.0004601500000000, -0.0002656700000000,  0.0002321400000000 ]  - [   0.0001560900000000, -0.0002275700000000,  0.0000337700000000 ]  - [  -0.0000587400000000, -0.0000339100000000, -0.0000990800000000 ]  - [  -0.0001190400000000,  0.0002489600000000,  0.0000337700000000 ]  - [   0.0001403100000000,  0.0000810100000000, -0.0001530100000000 ]  - [   0.0000241100000000,  0.0000245500000000,  0.0002399400000000 ]  - [  -0.0000286800000000, -0.0000165600000000,  0.0002751600000000 ]  - [   0.0000333200000000,  0.0000086100000000,  0.0002399400000000 ]  - [  -0.0000286400000000, -0.0000165400000000,  0.0002403600000000 ]  - [  -0.0003020700000000,  0.0000070500000000, -0.0000955900000000 ]  - [   0.0002831500000000,  0.0001634800000000,  0.0000668100000000 ]  - [  -0.0001449300000000, -0.0002651200000000, -0.0000955900000000 ]  - [   0.0000564800000000,  0.0000326100000000, -0.0000975400000000 ]  - [  -0.0108561600000000, -0.0062678000000000,  0.0543952000000000 ]  - [   0.0000913500000000,  0.0000349700000000, -0.0001259200000000 ]  - [   0.0001864800000000,  0.0001076700000000,  0.0010914900000000 ]  - [   0.0000759600000000,  0.0000616300000000, -0.0001259200000000 ]  - [   0.0011520400000000, -0.0009239300000000,  0.0258869000000000 ]  - [   0.0001430200000000, -0.0001095600000000,  0.0020220800000000 ]  - [   0.0002256500000000,  0.0001253900000000,  0.0005046900000000 ]  - [  -0.0002092900000000, -0.0001030000000000,  0.0005031100000000 ]  - [  -0.0002241300000000,  0.0014596600000000,  0.0258869000000000 ]  - [  -0.0001938500000000, -0.0001297500000000,  0.0005031100000000 ]  - [   0.0002214100000000,  0.0001327200000000,  0.0005046900000000 ]  - [  -0.0000233700000000,  0.0001786400000000,  0.0020220800000000 ]  - [   0.0012119700000000,  0.0007289700000000, -0.0019411900000000 ]  - [  -0.0006394700000000,  0.0001265800000000,  0.0000628600000000 ]  - [   0.0000509100000000,  0.0004897000000000,  0.0000648000000000 ]  - [  -0.0000627300000000, -0.0004718500000000,  0.0003392700000000 ]  - [   0.0012372900000000,  0.0006851100000000, -0.0019411900000000 ]  - [  -0.0004400000000000,  0.0001816000000000,  0.0003392700000000 ]  - [   0.0004495500000000, -0.0002007600000000,  0.0000648000000000 ]  - [  -0.0002101100000000, -0.0006170800000000,  0.0000628600000000 ]  - [   0.0019526200000000,  0.0011273500000000,  0.0007590900000000 ]  - [  -0.0009906000000000,  0.0000360500000000, -0.0001701200000000 ]  - [   0.0001692900000000,  0.0000977400000000,  0.0002662100000000 ]  - [  -0.0004640800000000, -0.0008759000000000, -0.0001701200000000 ]  - [  -0.0000858000000000, -0.0000495400000000, -0.0004646300000000 ]  - [   0.0001804100000000,  0.0000015100000000, -0.0005852500000000 ]  - [   0.0000841800000000,  0.0000486000000000, -0.0003991900000000 ]  - [   0.0000915100000000,  0.0001554900000000, -0.0005852500000000 ]  - [  -0.0000134900000000, -0.0000877100000000, -0.0006571400000000 ]  - [  -0.0001056600000000,  0.0000598700000000, -0.0003755600000000 ]  - [  -0.0002191100000000,  0.0001288400000000, -0.0004779500000000 ]  - [  -0.0000200000000000,  0.0000901800000000, -0.0004346500000000 ]  - [  -0.0000827100000000,  0.0000321700000000, -0.0006571400000000 ]  - [   0.0000681000000000, -0.0000624100000000, -0.0004346500000000 ]  - [   0.0000020200000000, -0.0002541700000000, -0.0004779500000000 ]  - [  -0.0000009800000000, -0.0001214400000000, -0.0003755600000000 ]  - [   0.0000565800000000,  0.0002988500000000,  0.0009533400000000 ]  - [   0.0037873700000000, -0.0059400500000000, -0.0056809500000000 ]  - [   0.0001270700000000,  0.0004826800000000,  0.0004499500000000 ]  - [  -0.0009850300000000,  0.0030402600000000,  0.0009585400000000 ]  - [   0.0004815400000000, -0.0001313000000000,  0.0004499500000000 ]  - [  -0.0032505500000000,  0.0062499900000000, -0.0056809500000000 ]  - [   0.0002871000000000, -0.0001004300000000,  0.0009533400000000 ]  - [   0.0021404200000000, -0.0023731900000000,  0.0009585400000000 ]  - [  -0.0024642000000000, -0.0004617000000000,  0.0004369500000000 ]  - [   0.0010620600000000,  0.0006131800000000,  0.0002086800000000 ]  - [  -0.0016319400000000, -0.0019032100000000,  0.0004369500000000 ]  - [   0.0004006700000000,  0.0002313300000000,  0.0002786200000000 ]  - [   0.0003844100000000,  0.0000586900000000, -0.0005781100000000 ]  - [  -0.0000594000000000, -0.0000343000000000, -0.0004552100000000 ]  - [   0.0002430300000000,  0.0003035700000000, -0.0005781100000000 ]  - [   0.0001230000000000,  0.0000710200000000, -0.0003883800000000 ]  - [  -0.0000103500000000,  0.0000073100000000, -0.0003659100000000 ]  - [  -0.0002969600000000,  0.0000256300000000, -0.0006496500000000 ]  - [  -0.0001094300000000,  0.0001745500000000, -0.0004685900000000 ]  - [  -0.0001931400000000,  0.0001266600000000, -0.0004255100000000 ]  - [   0.0000964500000000, -0.0001820500000000, -0.0004685900000000 ]  - [  -0.0001262800000000, -0.0002699900000000, -0.0006496500000000 ]  - [   0.0000011600000000, -0.0000126200000000, -0.0003659100000000 ]  - [   0.0000131200000000, -0.0002305900000000, -0.0004255100000000 ]  - [  -0.0000136600000000,  0.0000652300000000, -0.0001795600000000 ]  - [   0.0000123900000000,  0.0001012800000000, -0.0002031200000000 ]  - [  -0.0000174300000000,  0.0000786600000000, -0.0002025300000000 ]  - [   0.0000161600000000,  0.0000984100000000, -0.0001759200000000 ]  - [   0.0000594100000000, -0.0000544200000000, -0.0002025300000000 ]  - [   0.0000939000000000, -0.0000399000000000, -0.0002031200000000 ]  - [   0.0000496600000000, -0.0000444400000000, -0.0001795600000000 ]  - [   0.0000933000000000, -0.0000352100000000, -0.0001759200000000 ]  - [  -0.0000886100000000, -0.0000540700000000, -0.0001582300000000 ]  - [  -0.0000563300000000, -0.0000325200000000, -0.0002464100000000 ]  - [  -0.0000911400000000, -0.0000497100000000, -0.0001582300000000 ]  - [  -0.0000534600000000, -0.0000308700000000, -0.0001952300000000 ]  - [  -0.0002636600000000,  0.0008688100000000,  0.0010746400000000 ]  - [   0.0002710100000000,  0.0001564700000000,  0.0004404400000000 ]  - [   0.0006205800000000, -0.0006627400000000,  0.0010746400000000 ]  - [  -0.0003730000000000, -0.0002153500000000,  0.0005878400000000 ]  - [   0.0004596500000000,  0.0009401500000000, -0.0015763300000000 ]  - [   0.0039398100000000,  0.0022746500000000, -0.0127417000000000 ]  - [   0.0010440200000000, -0.0000720000000000, -0.0015763300000000 ]  - [  -0.0004852100000000, -0.0002801400000000, -0.0020436300000000 ]  - [   0.0001039500000000,  0.0000600200000000,  0.0010136500000000 ]  - [  -0.0001147600000000, -0.0000428000000000,  0.0008770300000000 ]  - [   0.0000797100000000,  0.0000460200000000,  0.0009103900000000 ]  - [  -0.0000944400000000, -0.0000779900000000,  0.0008770300000000 ]  - [   0.0006846700000000, -0.0013132200000000, -0.0029480500000000 ]  - [   0.0001693900000000,  0.0000978000000000, -0.0007572000000000 ]  - [  -0.0007949500000000,  0.0012495500000000, -0.0029480500000000 ]  - [  -0.0001805600000000, -0.0001042500000000, -0.0004186500000000 ]  - [  -0.0004787600000000, -0.0000778800000000, -0.0003817000000000 ]  - [   0.0012167500000000,  0.0007024900000000, -0.0006000700000000 ]  - [  -0.0003068300000000, -0.0003756800000000, -0.0003817000000000 ]  - [   0.0001788200000000,  0.0001032400000000, -0.0001442100000000 ]  - [   0.0001902000000000,  0.0000737100000000,  0.0002563900000000 ]  - [  -0.0002889300000000, -0.0001668100000000,  0.0007714700000000 ]  - [   0.0001589300000000,  0.0001278700000000,  0.0002563900000000 ]  - [  -0.0001508300000000, -0.0000870800000000,  0.0003375800000000 ]  - [   0.0015713400000000,  0.0009072100000000,  0.0018418600000000 ]  - [  -0.0006357000000000, -0.0000983400000000,  0.0001021500000000 ]  - [   0.0002585800000000,  0.0001492900000000,  0.0000908900000000 ]  - [  -0.0004030100000000, -0.0005013600000000,  0.0001021500000000 ]  - [  -0.0000605300000000, -0.0000349500000000,  0.0005654600000000 ]  - [   0.0000462700000000, -0.0000336200000000,  0.0003548000000000 ]  - [   0.0000080400000000,  0.0000046400000000,  0.0003179400000000 ]  - [  -0.0000059800000000,  0.0000568800000000,  0.0003548000000000 ]  - [  -0.0000099000000000,  0.0000270200000000,  0.0005466100000000 ]  - [   0.0000104700000000,  0.0000060400000000,  0.0004987200000000 ]  - [   0.0000184500000000, -0.0000220800000000,  0.0005466100000000 ]  - [  -0.0000169500000000, -0.0000097800000000,  0.0004872000000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004791200000000, -0.0000385600000000,  0.0001530600000000 ]  - [   0.0016410900000000,  0.0000093100000000,  0.0001509100000000 ]  - [   0.0214939000000000, -0.0127033300000000,  0.0011322200000000 ]  - [   0.0214415500000000,  0.0126355900000000, -0.0007306700000000 ]  - [  -0.0008903900000000, -0.0000043800000000, -0.0001522500000000 ]  - [   0.0008846400000000,  0.0000001700000000, -0.0001511700000000 ]  - [   0.0003162400000000, -0.0006966200000000,  0.0004406800000000 ]  - [   0.0003235200000000,  0.0006949700000000, -0.0007422900000000 ]  - [  -0.0003733300000000, -0.0000002300000000,  0.0001436900000000 ]  - [   0.0003791300000000,  0.0000024300000000,  0.0001436900000000 ]  - [   0.0000126700000000, -0.0002095600000000,  0.0001707000000000 ]  - [   0.0000040200000000,  0.0002132000000000,  0.0001163000000000 ]  - [  -0.0003733300000000,  0.0000002300000000, -0.0001436900000000 ]  - [   0.0003791300000000, -0.0000024300000000, -0.0001436900000000 ]  - [   0.0000040200000000, -0.0002132000000000, -0.0001163000000000 ]  - [   0.0000126700000000,  0.0002095600000000, -0.0001707000000000 ]  - [   0.0003162400000000,  0.0006966200000000, -0.0004406800000000 ]  - [   0.0003235200000000, -0.0006949700000000,  0.0007422900000000 ]  - [   0.0008846400000000, -0.0000001700000000,  0.0001511700000000 ]  - [  -0.0008903900000000,  0.0000043800000000,  0.0001522500000000 ]  - [   0.0214939000000000,  0.0127033300000000, -0.0011322200000000 ]  - [   0.0214415500000000, -0.0126355900000000,  0.0007306700000000 ]  - [   0.0016410900000000, -0.0000093100000000, -0.0001509100000000 ]  - [  -0.0004791200000000,  0.0000385600000000, -0.0001530600000000 ]  - [   0.0006675900000000,  0.0003904800000000,  0.0001293500000000 ]  - [  -0.0004662700000000, -0.0002724000000000, -0.0004022800000000 ]  - [   0.0003990100000000,  0.0003101500000000, -0.0007479800000000 ]  - [  -0.0003877500000000, -0.0002205900000000,  0.0002370300000000 ]  - [   0.0004656500000000, -0.0002729800000000, -0.0003933500000000 ]  - [  -0.0006737600000000,  0.0003898400000000,  0.0001352100000000 ]  - [  -0.0005808900000000,  0.0003312000000000, -0.0005030200000000 ]  - [   0.0001922100000000, -0.0001934000000000,  0.0004827900000000 ]  - [  -0.0000030000000000, -0.0001061600000000, -0.0001293200000000 ]  - [   0.0000040300000000, -0.0001150600000000, -0.0001298100000000 ]  - [  -0.0000754300000000,  0.0001566600000000, -0.0010088900000000 ]  - [  -0.0000769100000000, -0.0003799400000000,  0.0007463800000000 ]  - [   0.0041191800000000,  0.0000982700000000,  0.0001217500000000 ]  - [  -0.0016866800000000,  0.0001472500000000,  0.0001622500000000 ]  - [  -0.0034892600000000,  0.0109339300000000,  0.0007785100000000 ]  - [  -0.0034866900000000, -0.0106272200000000, -0.0004575100000000 ]  - [   0.0016503800000000, -0.0005005900000000,  0.0012121100000000 ]  - [  -0.0008468700000000, -0.0004863500000000, -0.0003261300000000 ]  - [   0.0064217400000000, -0.0013415900000000,  0.0046030100000000 ]  - [  -0.0098081300000000,  0.0011962700000000,  0.0005866200000000 ]  - [   0.0014119100000000,  0.0003772000000000, -0.0008859300000000 ]  - [  -0.0011269100000000,  0.0003215100000000,  0.0006588400000000 ]  - [  -0.0100678800000000, -0.0013331200000000, -0.0002765200000000 ]  - [   0.0054662800000000,  0.0007677900000000, -0.0037193200000000 ]  - [   0.0000434200000000, -0.0000646900000000, -0.0000809700000000 ]  - [   0.0000796400000000,  0.0001301600000000, -0.0002532500000000 ]  - [  -0.0001662700000000, -0.0000050000000000, -0.0000611600000000 ]  - [   0.0002918600000000,  0.0000796000000000, -0.0002803100000000 ]  - [  -0.0000840600000000,  0.0001353600000000, -0.0002626500000000 ]  - [  -0.0000623700000000, -0.0000522300000000, -0.0000900300000000 ]  - [   0.0001576600000000, -0.0000049200000000, -0.0000635300000000 ]  - [  -0.0003018600000000,  0.0000822900000000, -0.0002822700000000 ]  - [   0.0001518300000000, -0.0000727600000000, -0.0001696400000000 ]  - [  -0.0001478900000000, -0.0000689200000000, -0.0001693300000000 ]  - [  -0.0000031700000000,  0.0000830100000000, -0.0001495400000000 ]  - [  -0.0000042300000000, -0.0002255700000000, -0.0001910000000000 ]  - [  -0.0000031700000000, -0.0000830100000000,  0.0001495400000000 ]  - [  -0.0000042300000000,  0.0002255700000000,  0.0001910000000000 ]  - [  -0.0001478900000000,  0.0000689200000000,  0.0001693300000000 ]  - [   0.0001518300000000,  0.0000727600000000,  0.0001696400000000 ]  - [  -0.0001662700000000,  0.0000050000000000,  0.0000611600000000 ]  - [   0.0002918600000000, -0.0000796000000000,  0.0002803100000000 ]  - [   0.0000796400000000, -0.0001301600000000,  0.0002532500000000 ]  - [   0.0000434200000000,  0.0000646900000000,  0.0000809700000000 ]  - [   0.0001576600000000,  0.0000049200000000,  0.0000635300000000 ]  - [  -0.0003018600000000, -0.0000822900000000,  0.0002822700000000 ]  - [  -0.0000623700000000,  0.0000522300000000,  0.0000900300000000 ]  - [  -0.0000840600000000, -0.0001353600000000,  0.0002626500000000 ]  - [   0.0064217400000000,  0.0013415900000000, -0.0046030100000000 ]  - [  -0.0098081300000000, -0.0011962700000000, -0.0005866200000000 ]  - [  -0.0008468700000000,  0.0004863500000000,  0.0003261300000000 ]  - [   0.0016503800000000,  0.0005005900000000, -0.0012121100000000 ]  - [  -0.0100678800000000,  0.0013331200000000,  0.0002765200000000 ]  - [   0.0054662800000000, -0.0007677900000000,  0.0037193200000000 ]  - [  -0.0011269100000000, -0.0003215100000000, -0.0006588400000000 ]  - [   0.0014119100000000, -0.0003772000000000,  0.0008859300000000 ]  - [  -0.0034892600000000, -0.0109339300000000, -0.0007785100000000 ]  - [  -0.0034866900000000,  0.0106272200000000,  0.0004575100000000 ]  - [  -0.0016866800000000, -0.0001472500000000, -0.0001622500000000 ]  - [   0.0041191800000000, -0.0000982700000000, -0.0001217500000000 ]  - [  -0.0000754300000000, -0.0001566600000000,  0.0010088900000000 ]  - [  -0.0000769100000000,  0.0003799400000000, -0.0007463800000000 ]  - [   0.0000040300000000,  0.0001150600000000,  0.0001298100000000 ]  - [  -0.0000030000000000,  0.0001061600000000,  0.0001293200000000 ]  - [   0.0003990100000000, -0.0003101500000000,  0.0007479800000000 ]  - [  -0.0003877500000000,  0.0002205900000000, -0.0002370300000000 ]  - [  -0.0004662700000000,  0.0002724000000000,  0.0004022800000000 ]  - [   0.0006675900000000, -0.0003904800000000, -0.0001293500000000 ]  - [  -0.0005808900000000, -0.0003312000000000,  0.0005030200000000 ]  - [   0.0001922100000000,  0.0001934000000000, -0.0004827900000000 ]  - [  -0.0006737600000000, -0.0003898400000000, -0.0001352100000000 ]  - [   0.0004656500000000,  0.0002729800000000,  0.0003933500000000 ]  - [  -0.0795152100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0096148300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000371000000000, -0.0055732500000000, -0.0029985600000000 ]  - [  -0.0000371000000000,  0.0055732500000000,  0.0029985600000000 ]  - [  -0.0000026700000000,  0.0004060900000000,  0.0003468700000000 ]  - [  -0.0000004300000000, -0.0004135200000000, -0.0005380800000000 ]  - [   0.0006506100000000, -0.0000053100000000, -0.0000969900000000 ]  - [  -0.0007096900000000, -0.0000043700000000, -0.0000956700000000 ]  - [  -0.0007096900000000,  0.0000043700000000,  0.0000956700000000 ]  - [   0.0006506100000000,  0.0000053100000000,  0.0000969900000000 ]  - [  -0.0000026700000000, -0.0004060900000000, -0.0003468700000000 ]  - [  -0.0000004300000000,  0.0004135200000000,  0.0005380800000000 ]  - [  -0.0026531000000000,  0.0000017900000000, -0.0000741100000000 ]  - [   0.0015086500000000, -0.0000004300000000, -0.0000634200000000 ]  - [   0.0000005800000000, -0.0008706300000000,  0.0002689100000000 ]  - [  -0.0000022700000000,  0.0008700100000000, -0.0003980100000000 ]  - [   0.0023852600000000,  0.0034553800000000,  0.0036264200000000 ]  - [   0.0023746300000000, -0.0034321700000000, -0.0034568300000000 ]  - [   0.0022924700000000, -0.0000034700000000,  0.0000710300000000 ]  - [  -0.0035839900000000,  0.0000071700000000,  0.0000637300000000 ]  - [   0.0000003400000000,  0.0000100200000000, -0.0001906400000000 ]  - [   0.0000005300000000, -0.0000092500000000,  0.0000529300000000 ]  - [   0.0000122100000000, -0.0000005000000000, -0.0000689100000000 ]  - [  -0.0000158700000000,  0.0000004700000000, -0.0000692200000000 ]  - [  -0.0000158700000000, -0.0000004700000000,  0.0000692200000000 ]  - [   0.0000122100000000,  0.0000005000000000,  0.0000689100000000 ]  - [   0.0000003400000000, -0.0000100200000000,  0.0001906400000000 ]  - [   0.0000005300000000,  0.0000092500000000, -0.0000529300000000 ]  - [  -0.0035839900000000, -0.0000071700000000, -0.0000637300000000 ]  - [   0.0022924700000000,  0.0000034700000000, -0.0000710300000000 ]  - [   0.0023852600000000, -0.0034553800000000, -0.0036264200000000 ]  - [   0.0023746300000000,  0.0034321700000000,  0.0034568300000000 ]  - [  -0.0026531000000000, -0.0000017900000000,  0.0000741100000000 ]  - [   0.0015086500000000,  0.0000004300000000,  0.0000634200000000 ]  - [  -0.0000022700000000, -0.0008700100000000,  0.0003980100000000 ]  - [   0.0000005800000000,  0.0008706300000000, -0.0002689100000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0156035600000000,  0.0001605200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001294100000000 ]  - [   0.0135130800000000, -0.0078017800000000,  0.0001605200000000 ]  - [  -0.0135130800000000, -0.0078017800000000,  0.0001605200000000 ]  - [   0.0000000000000000,  0.0010334800000000,  0.0002018400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002651200000000 ]  - [   0.0008950200000000, -0.0005167400000000,  0.0002018400000000 ]  - [  -0.0008950200000000, -0.0005167400000000,  0.0002018400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005166400000000 ]  - [   0.0000000000000000,  0.0000794900000000,  0.0003610100000000 ]  - [  -0.0000688400000000, -0.0000397400000000,  0.0003610100000000 ]  - [   0.0000688400000000, -0.0000397400000000,  0.0003610100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002274500000000 ]  - [   0.0000000000000000,  0.0000755400000000,  0.0000713100000000 ]  - [  -0.0000654200000000, -0.0000377700000000,  0.0000713100000000 ]  - [   0.0000654200000000, -0.0000377700000000,  0.0000713100000000 ]  - [  -0.0008904100000000, -0.0005140800000000,  0.0005064200000000 ]  - [   0.0008904100000000, -0.0005140800000000,  0.0005064200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000394700000000 ]  - [   0.0000000000000000,  0.0010281600000000,  0.0005064200000000 ]  - [  -0.0135408800000000, -0.0078178300000000, -0.0001958800000000 ]  - [   0.0135408800000000, -0.0078178300000000, -0.0001958800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004328900000000 ]  - [   0.0000000000000000,  0.0156356600000000, -0.0001958800000000 ]  - [   0.0002544800000000, -0.0004674100000000, -0.0012048700000000 ]  - [   0.0000018900000000,  0.0000010900000000, -0.0005735800000000 ]  - [  -0.0002775500000000,  0.0004540900000000, -0.0012048700000000 ]  - [   0.0006689600000000,  0.0003862300000000, -0.0007193200000000 ]  - [  -0.0002544800000000, -0.0004674100000000, -0.0012048700000000 ]  - [  -0.0000018900000000,  0.0000010900000000, -0.0005735800000000 ]  - [  -0.0006689600000000,  0.0003862300000000, -0.0007193200000000 ]  - [   0.0002775500000000,  0.0004540900000000, -0.0012048700000000 ]  - [   0.0000000000000000, -0.0007724500000000, -0.0007193200000000 ]  - [   0.0000000000000000, -0.0000021900000000, -0.0005735800000000 ]  - [  -0.0005320300000000,  0.0000133200000000, -0.0012048700000000 ]  - [   0.0005320300000000,  0.0000133200000000, -0.0012048700000000 ]  - [   0.0000000000000000,  0.0034965200000000,  0.0130808400000000 ]  - [   0.0000000000000000,  0.0000165200000000,  0.0021133400000000 ]  - [  -0.0028262800000000,  0.0080610000000000,  0.0016639400000000 ]  - [   0.0028262800000000,  0.0080610000000000,  0.0016639400000000 ]  - [   0.0055678900000000, -0.0064781300000000,  0.0016639400000000 ]  - [   0.0000143100000000, -0.0000082600000000,  0.0021133400000000 ]  - [   0.0030280800000000, -0.0017482600000000,  0.0130808400000000 ]  - [   0.0083941700000000, -0.0015828700000000,  0.0016639400000000 ]  - [  -0.0055678900000000, -0.0064781300000000,  0.0016639400000000 ]  - [  -0.0000143100000000, -0.0000082600000000,  0.0021133400000000 ]  - [  -0.0083941700000000, -0.0015828700000000,  0.0016639400000000 ]  - [  -0.0030280800000000, -0.0017482600000000,  0.0130808400000000 ]  - [   0.0000793300000000,  0.0001153300000000, -0.0009474600000000 ]  - [   0.0001617300000000,  0.0000933700000000, -0.0009833500000000 ]  - [   0.0001395500000000,  0.0000110400000000, -0.0009474600000000 ]  - [   0.0001047300000000,  0.0000604700000000, -0.0010853200000000 ]  - [  -0.0000793300000000,  0.0001153300000000, -0.0009474600000000 ]  - [  -0.0001617300000000,  0.0000933700000000, -0.0009833500000000 ]  - [  -0.0001047300000000,  0.0000604700000000, -0.0010853200000000 ]  - [  -0.0001395500000000,  0.0000110400000000, -0.0009474600000000 ]  - [   0.0000000000000000, -0.0001209300000000, -0.0010853200000000 ]  - [   0.0000000000000000, -0.0001867500000000, -0.0009833500000000 ]  - [   0.0000602100000000, -0.0001263700000000, -0.0009474600000000 ]  - [  -0.0000602100000000, -0.0001263700000000, -0.0009474600000000 ]  - [  -0.0000600600000000,  0.0000182300000000, -0.0006071800000000 ]  - [   0.0000600600000000,  0.0000182300000000, -0.0006071800000000 ]  - [   0.0000000000000000, -0.0000532300000000, -0.0006419300000000 ]  - [   0.0000000000000000,  0.0000192000000000, -0.0007455900000000 ]  - [  -0.0000142400000000, -0.0000611300000000, -0.0006071800000000 ]  - [   0.0000166300000000, -0.0000096000000000, -0.0007455900000000 ]  - [  -0.0000461000000000,  0.0000266200000000, -0.0006419300000000 ]  - [   0.0000458200000000,  0.0000429000000000, -0.0006071800000000 ]  - [  -0.0000166300000000, -0.0000096000000000, -0.0007455900000000 ]  - [   0.0000142400000000, -0.0000611300000000, -0.0006071800000000 ]  - [   0.0000461000000000,  0.0000266200000000, -0.0006419300000000 ]  - [  -0.0000458200000000,  0.0000429000000000, -0.0006071800000000 ]  - [  -0.0022649900000000, -0.0013076900000000,  0.0124415100000000 ]  - [  -0.0081395800000000, -0.0014369800000000,  0.0013489800000000 ]  - [   0.0002516900000000,  0.0001453100000000,  0.0017831700000000 ]  - [  -0.0053142500000000, -0.0063306000000000,  0.0013489800000000 ]  - [   0.0081395800000000, -0.0014369800000000,  0.0013489800000000 ]  - [   0.0022649900000000, -0.0013076900000000,  0.0124415100000000 ]  - [  -0.0002516900000000,  0.0001453100000000,  0.0017831700000000 ]  - [   0.0053142500000000, -0.0063306000000000,  0.0013489800000000 ]  - [   0.0028253300000000,  0.0077675700000000,  0.0013489800000000 ]  - [  -0.0028253300000000,  0.0077675700000000,  0.0013489800000000 ]  - [   0.0000000000000000, -0.0002906300000000,  0.0017831700000000 ]  - [   0.0000000000000000,  0.0026153800000000,  0.0124415100000000 ]  - [   0.0005262300000000,  0.0002282900000000, -0.0009419800000000 ]  - [  -0.0005262300000000,  0.0002282900000000, -0.0009419800000000 ]  - [   0.0000000000000000,  0.0002188400000000, -0.0003130900000000 ]  - [   0.0000000000000000, -0.0005471100000000, -0.0004609600000000 ]  - [   0.0004608300000000,  0.0003415800000000, -0.0009419800000000 ]  - [  -0.0004738100000000,  0.0002735500000000, -0.0004609600000000 ]  - [   0.0001895200000000, -0.0001094200000000, -0.0003130900000000 ]  - [  -0.0000654100000000, -0.0005698800000000, -0.0009419800000000 ]  - [   0.0004738100000000,  0.0002735500000000, -0.0004609600000000 ]  - [  -0.0004608300000000,  0.0003415800000000, -0.0009419800000000 ]  - [  -0.0001895200000000, -0.0001094200000000, -0.0003130900000000 ]  - [   0.0000654100000000, -0.0005698800000000, -0.0009419800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0888221400000000 ]  - [   0.0000000000000000,  0.0034586300000000, -0.0077703800000000 ]  - [  -0.0029952600000000, -0.0017293200000000, -0.0077703800000000 ]  - [   0.0029952600000000, -0.0017293200000000, -0.0077703800000000 ]  - [   0.0004444900000000,  0.0002566200000000,  0.0019783600000000 ]  - [  -0.0004444900000000,  0.0002566200000000,  0.0019783600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019509400000000 ]  - [   0.0000000000000000, -0.0005132500000000,  0.0019783600000000 ]  - [   0.0000000000000000, -0.0005103000000000,  0.0021709000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021434100000000 ]  - [  -0.0004419300000000,  0.0002551500000000,  0.0021709000000000 ]  - [   0.0004419300000000,  0.0002551500000000,  0.0021709000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063372700000000 ]  - [   0.0000000000000000,  0.0004024000000000,  0.0005445000000000 ]  - [  -0.0003484900000000, -0.0002012000000000,  0.0005445000000000 ]  - [   0.0003484900000000, -0.0002012000000000,  0.0005445000000000 ]  - [   0.0037203100000000,  0.0021479200000000,  0.0000140600000000 ]  - [  -0.0037203100000000,  0.0021479200000000,  0.0000140600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002712800000000 ]  - [   0.0000000000000000, -0.0042958500000000,  0.0000140600000000 ]  - [  -0.0000200000000000, -0.0000115500000000,  0.0011393900000000 ]  - [   0.0000200000000000, -0.0000115500000000,  0.0011393900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010129700000000 ]  - [   0.0000000000000000,  0.0000231000000000,  0.0011393900000000 ]  - [   0.0000000000000000,  0.0000234200000000,  0.0012637700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011367600000000 ]  - [   0.0000202800000000, -0.0000117100000000,  0.0012637700000000 ]  - [  -0.0000202800000000, -0.0000117100000000,  0.0012637700000000 ]  - [   0.0000000000000000, -0.0042764000000000, -0.0001041000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003938300000000 ]  - [  -0.0037034700000000,  0.0021382000000000, -0.0001041000000000 ]  - [   0.0037034700000000,  0.0021382000000000, -0.0001041000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063786400000000 ]  - [   0.0000000000000000,  0.0004029900000000,  0.0006633500000000 ]  - [  -0.0003490000000000, -0.0002015000000000,  0.0006633500000000 ]  - [   0.0003490000000000, -0.0002015000000000,  0.0006633500000000 ]- atom:  109  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007781600000000, -0.0000227300000000,  0.0001510800000000 ]  - [   0.0007495800000000,  0.0000005600000000,  0.0001515300000000 ]  - [   0.0036931600000000, -0.0025911700000000, -0.0007035100000000 ]  - [   0.0037126000000000,  0.0025842200000000,  0.0009862500000000 ]  - [  -0.0091769300000000, -0.0000274900000000, -0.0001573700000000 ]  - [   0.0023177200000000, -0.0000036000000000, -0.0001523800000000 ]  - [   0.0080387100000000, -0.0099683900000000,  0.0019028000000000 ]  - [   0.0079713000000000,  0.0098833500000000, -0.0021533700000000 ]  - [  -0.0050764700000000,  0.0000037700000000,  0.0001345900000000 ]  - [   0.0020221900000000,  0.0000030800000000,  0.0001448500000000 ]  - [   0.0001677600000000, -0.0010728500000000,  0.0001834600000000 ]  - [   0.0001676200000000,  0.0010610800000000,  0.0001058200000000 ]  - [  -0.0002301800000000, -0.0000060600000000, -0.0001443100000000 ]  - [   0.0001859000000000,  0.0000095600000000, -0.0001440300000000 ]  - [   0.0000013600000000, -0.0001045400000000, -0.0001352000000000 ]  - [   0.0000020700000000,  0.0001076100000000, -0.0001535800000000 ]  - [  -0.0000002000000000,  0.0000476100000000,  0.0001368200000000 ]  - [  -0.0000022500000000, -0.0000408800000000,  0.0001669900000000 ]  - [   0.0000727800000000,  0.0000016800000000,  0.0001518600000000 ]  - [  -0.0000747500000000, -0.0000034000000000,  0.0001517800000000 ]  - [   0.0001166900000000,  0.0003552300000000, -0.0002911500000000 ]  - [   0.0001245400000000, -0.0003526100000000, -0.0000127900000000 ]  - [   0.0004561100000000, -0.0000034700000000, -0.0001513300000000 ]  - [  -0.0004982400000000, -0.0000043000000000, -0.0001513700000000 ]  - [   0.0061697800000000, -0.0004386200000000, -0.0007963700000000 ]  - [  -0.0015175300000000, -0.0008448500000000, -0.0002992100000000 ]  - [   0.0037412100000000, -0.0003871700000000,  0.0006725200000000 ]  - [  -0.0039777400000000, -0.0030535000000000,  0.0000560800000000 ]  - [   0.0060037600000000,  0.0006185200000000,  0.0005697000000000 ]  - [  -0.0017249100000000,  0.0009577900000000,  0.0000342700000000 ]  - [  -0.0041753900000000,  0.0031695300000000, -0.0003318300000000 ]  - [   0.0034717900000000,  0.0004374800000000, -0.0008911600000000 ]  - [   0.0013136500000000, -0.0001059700000000, -0.0001301900000000 ]  - [  -0.0000600100000000, -0.0001083700000000, -0.0001292900000000 ]  - [   0.0058832800000000,  0.0019679700000000,  0.0014245600000000 ]  - [   0.0054444700000000, -0.0022305600000000, -0.0015059300000000 ]  - [   0.0012815400000000,  0.0001632400000000,  0.0001551000000000 ]  - [  -0.0008978700000000,  0.0001559500000000,  0.0001632000000000 ]  - [  -0.0005061100000000,  0.0020113000000000,  0.0003383800000000 ]  - [  -0.0005109100000000, -0.0017125500000000, -0.0000113000000000 ]  - [   0.0006116400000000,  0.0000582600000000, -0.0001380300000000 ]  - [  -0.0002968400000000, -0.0003484400000000,  0.0003445700000000 ]  - [  -0.0000482200000000,  0.0007709900000000,  0.0013809900000000 ]  - [  -0.0016097300000000, -0.0000645000000000, -0.0003095500000000 ]  - [   0.0003522400000000, -0.0002010800000000,  0.0004682300000000 ]  - [  -0.0005707200000000,  0.0001874000000000, -0.0000147100000000 ]  - [  -0.0018637000000000, -0.0000802900000000,  0.0006466000000000 ]  - [  -0.0003581000000000, -0.0009430100000000, -0.0010955000000000 ]  - [   0.0000371000000000, -0.0000085900000000, -0.0001648400000000 ]  - [   0.0000842800000000,  0.0000750800000000, -0.0001780500000000 ]  - [  -0.0000571200000000, -0.0000066700000000, -0.0002176200000000 ]  - [   0.0001889000000000,  0.0000726700000000, -0.0001088900000000 ]  - [  -0.0000908000000000,  0.0000800900000000, -0.0001782800000000 ]  - [  -0.0000433600000000, -0.0000037800000000, -0.0001652900000000 ]  - [   0.0000573300000000, -0.0000000900000000, -0.0002335900000000 ]  - [  -0.0001712100000000,  0.0000711300000000, -0.0001270600000000 ]  - [   0.0000600900000000, -0.0000611400000000, -0.0001698300000000 ]  - [  -0.0000474500000000, -0.0000754100000000, -0.0001687300000000 ]  - [   0.0000014300000000,  0.0000007600000000, -0.0002211500000000 ]  - [   0.0000014900000000, -0.0001419400000000, -0.0001171700000000 ]  - [  -0.0000797900000000, -0.0007493400000000, -0.0000665500000000 ]  - [  -0.0000811000000000,  0.0009019900000000,  0.0004025900000000 ]  - [  -0.0006352900000000,  0.0000661400000000,  0.0001673000000000 ]  - [   0.0012268800000000,  0.0000666300000000,  0.0001702900000000 ]  - [  -0.0012322000000000,  0.0001900300000000, -0.0004694900000000 ]  - [   0.0022878100000000, -0.0006130800000000,  0.0017528800000000 ]  - [   0.0001036500000000, -0.0004252100000000,  0.0004313100000000 ]  - [  -0.0001024600000000,  0.0004901500000000, -0.0002351600000000 ]  - [   0.0021519700000000,  0.0005333400000000, -0.0014137800000000 ]  - [  -0.0013652400000000, -0.0002646500000000,  0.0008073200000000 ]  - [  -0.0000223000000000,  0.0003559200000000, -0.0000905000000000 ]  - [  -0.0002292800000000, -0.0005610500000000,  0.0005734700000000 ]  - [   0.0001188300000000, -0.0001482200000000,  0.0001269600000000 ]  - [   0.0000599200000000,  0.0002017300000000, -0.0003531500000000 ]  - [  -0.0001566300000000,  0.0000578300000000, -0.0000117700000000 ]  - [   0.0004346300000000,  0.0000980500000000, -0.0003222400000000 ]  - [  -0.0002118600000000, -0.0000463200000000,  0.0000276200000000 ]  - [  -0.0001626300000000,  0.0003068300000000, -0.0004555700000000 ]  - [  -0.0004225900000000,  0.0000942300000000, -0.0003165000000000 ]  - [   0.0001581800000000,  0.0000574600000000, -0.0000040300000000 ]  - [  -0.0000136000000000, -0.0004224000000000, -0.0001302000000000 ]  - [  -0.0000152400000000,  0.0001081800000000, -0.0001917600000000 ]  - [  -0.0002581000000000, -0.0001443400000000, -0.0001613800000000 ]  - [   0.0003717100000000, -0.0001462200000000, -0.0001620400000000 ]  - [  -0.0000027400000000,  0.0000872400000000,  0.0001576600000000 ]  - [  -0.0000027400000000,  0.0001358800000000,  0.0001021900000000 ]  - [  -0.0000134500000000,  0.0001115600000000,  0.0001298600000000 ]  - [   0.0000099100000000,  0.0001150600000000,  0.0001294200000000 ]  - [   0.0001263000000000, -0.0000801000000000,  0.0001508500000000 ]  - [   0.0000906000000000, -0.0000455400000000,  0.0001160100000000 ]  - [   0.0000603900000000, -0.0000413600000000,  0.0001434300000000 ]  - [   0.0001453300000000, -0.0000773300000000,  0.0001237900000000 ]  - [  -0.0001199000000000, -0.0000734800000000,  0.0001476000000000 ]  - [  -0.0000806000000000, -0.0000371600000000,  0.0001126900000000 ]  - [  -0.0001434100000000, -0.0000738900000000,  0.0001206600000000 ]  - [  -0.0000517000000000, -0.0000340000000000,  0.0001408400000000 ]  - [  -0.0026507200000000,  0.0000021000000000,  0.0000137700000000 ]  - [   0.0015108100000000, -0.0000015500000000, -0.0000028500000000 ]  - [   0.0000045300000000, -0.0008708600000000, -0.0003495100000000 ]  - [  -0.0000006900000000,  0.0008711300000000,  0.0003497400000000 ]  - [   0.0023929100000000,  0.0034525400000000,  0.0036316000000000 ]  - [   0.0023857500000000, -0.0034328800000000, -0.0037919000000000 ]  - [   0.0023021000000000, -0.0000081600000000, -0.0000940700000000 ]  - [  -0.0035755900000000,  0.0000014500000000, -0.0000962100000000 ]  - [  -0.0000222100000000,  0.0000036300000000,  0.0000958800000000 ]  - [   0.0000055200000000,  0.0000049500000000,  0.0000964000000000 ]  - [  -0.0000060600000000, -0.0000040600000000,  0.0001160400000000 ]  - [  -0.0000065800000000,  0.0000131800000000,  0.0000770000000000 ]  - [  -0.0438569700000000,  0.0000854400000000, -0.0002882400000000 ]  - [   0.0025439000000000, -0.0000007000000000, -0.0000589300000000 ]  - [   0.0001882200000000, -0.0013625400000000, -0.0002001200000000 ]  - [   0.0001848200000000,  0.0013600800000000,  0.0000816100000000 ]  - [   0.0038426700000000,  0.0035729700000000, -0.0031210800000000 ]  - [   0.0038164500000000, -0.0035306200000000,  0.0032060800000000 ]  - [   0.0010136600000000, -0.0000022200000000,  0.0000632800000000 ]  - [  -0.0023221500000000,  0.0000147500000000,  0.0000696100000000 ]  - [   0.0000227100000000,  0.0000708900000000,  0.0000303300000000 ]  - [   0.0000232100000000, -0.0000706600000000, -0.0001550900000000 ]  - [   0.0000939600000000, -0.0000000300000000, -0.0000623000000000 ]  - [  -0.0000997300000000,  0.0000000400000000, -0.0000625300000000 ]  - [  -0.0001107700000000, -0.0000005300000000,  0.0000630100000000 ]  - [   0.0000142000000000,  0.0000004600000000,  0.0000645200000000 ]  - [   0.0000930300000000, -0.0001182300000000,  0.0007301100000000 ]  - [   0.0000938400000000,  0.0001173500000000, -0.0005996500000000 ]  - [  -0.0000995100000000, -0.0000002000000000, -0.0000637600000000 ]  - [   0.0000943400000000, -0.0000002400000000, -0.0000650900000000 ]  - [   0.0000230500000000, -0.0000708900000000, -0.0003459800000000 ]  - [   0.0000235500000000,  0.0000706600000000,  0.0002165100000000 ]  - [  -0.0000776900000000, -0.0000002000000000,  0.0000582800000000 ]  - [   0.0000729000000000, -0.0000001700000000,  0.0000580800000000 ]  - [   0.0000003400000000, -0.0000418600000000,  0.0000628700000000 ]  - [  -0.0000002300000000,  0.0000425200000000,  0.0000539200000000 ]- atom:  109  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0064438500000000,  0.0001000400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000721200000000 ]  - [  -0.0055805400000000,  0.0032219300000000,  0.0001000400000000 ]  - [   0.0055805400000000,  0.0032219300000000,  0.0001000400000000 ]  - [   0.0000000000000000,  0.0042978200000000, -0.0006073100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002085300000000 ]  - [   0.0037220200000000, -0.0021489100000000, -0.0006073100000000 ]  - [  -0.0037220200000000, -0.0021489100000000, -0.0006073100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047762500000000 ]  - [   0.0000000000000000, -0.0002708600000000,  0.0001229200000000 ]  - [   0.0002345700000000,  0.0001354300000000,  0.0001229200000000 ]  - [  -0.0002345700000000,  0.0001354300000000,  0.0001229200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001665000000000 ]  - [   0.0000000000000000,  0.0000680700000000, -0.0000539200000000 ]  - [  -0.0000589500000000, -0.0000340400000000, -0.0000539200000000 ]  - [   0.0000589500000000, -0.0000340400000000, -0.0000539200000000 ]  - [   0.0000143300000000,  0.0000082700000000,  0.0002973100000000 ]  - [  -0.0000143300000000,  0.0000082700000000,  0.0002973100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002704700000000 ]  - [   0.0000000000000000, -0.0000165500000000,  0.0002973100000000 ]  - [  -0.0007582200000000, -0.0004377600000000, -0.0000319700000000 ]  - [   0.0007582200000000, -0.0004377600000000, -0.0000319700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000989000000000 ]  - [   0.0000000000000000,  0.0008755200000000, -0.0000319700000000 ]  - [  -0.0010120900000000,  0.0015107200000000,  0.0027569100000000 ]  - [  -0.0000861200000000, -0.0000497200000000,  0.0005648400000000 ]  - [   0.0008022800000000, -0.0016318600000000,  0.0027569100000000 ]  - [   0.0017359200000000,  0.0010022300000000,  0.0002196800000000 ]  - [   0.0010120900000000,  0.0015107200000000,  0.0027569100000000 ]  - [   0.0000861200000000, -0.0000497200000000,  0.0005648400000000 ]  - [  -0.0017359200000000,  0.0010022300000000,  0.0002196800000000 ]  - [  -0.0008022800000000, -0.0016318600000000,  0.0027569100000000 ]  - [   0.0000000000000000, -0.0020044700000000,  0.0002196800000000 ]  - [   0.0000000000000000,  0.0000994400000000,  0.0005648400000000 ]  - [   0.0018143700000000,  0.0001211300000000,  0.0027569100000000 ]  - [  -0.0018143700000000,  0.0001211300000000,  0.0027569100000000 ]  - [   0.0000000000000000,  0.0029548000000000,  0.0007338600000000 ]  - [   0.0000000000000000,  0.0002220000000000,  0.0003658200000000 ]  - [   0.0009933700000000, -0.0022452700000000,  0.0005969300000000 ]  - [  -0.0009933700000000, -0.0022452700000000,  0.0005969300000000 ]  - [  -0.0014477800000000,  0.0019829200000000,  0.0005969300000000 ]  - [   0.0001922500000000, -0.0001110000000000,  0.0003658200000000 ]  - [   0.0025589300000000, -0.0014774000000000,  0.0007338600000000 ]  - [  -0.0024411500000000,  0.0002623500000000,  0.0005969300000000 ]  - [   0.0014477800000000,  0.0019829200000000,  0.0005969300000000 ]  - [  -0.0001922500000000, -0.0001110000000000,  0.0003658200000000 ]  - [   0.0024411500000000,  0.0002623500000000,  0.0005969300000000 ]  - [  -0.0025589300000000, -0.0014774000000000,  0.0007338600000000 ]  - [   0.0000590700000000,  0.0000020100000000, -0.0005883700000000 ]  - [   0.0001393400000000,  0.0000804500000000, -0.0005518800000000 ]  - [   0.0000312800000000,  0.0000501600000000, -0.0005883700000000 ]  - [   0.0001529400000000,  0.0000883000000000, -0.0007985000000000 ]  - [  -0.0000590700000000,  0.0000020100000000, -0.0005883700000000 ]  - [  -0.0001393400000000,  0.0000804500000000, -0.0005518800000000 ]  - [  -0.0001529400000000,  0.0000883000000000, -0.0007985000000000 ]  - [  -0.0000312800000000,  0.0000501600000000, -0.0005883700000000 ]  - [   0.0000000000000000, -0.0001766000000000, -0.0007985000000000 ]  - [   0.0000000000000000, -0.0001608900000000, -0.0005518800000000 ]  - [  -0.0000278000000000, -0.0000521600000000, -0.0005883700000000 ]  - [   0.0000278000000000, -0.0000521600000000, -0.0005883700000000 ]  - [  -0.0001474600000000, -0.0001801900000000,  0.0001333900000000 ]  - [   0.0001474600000000, -0.0001801900000000,  0.0001333900000000 ]  - [   0.0000000000000000,  0.0002523700000000,  0.0001458600000000 ]  - [   0.0000000000000000,  0.0008254300000000, -0.0016202700000000 ]  - [  -0.0002297800000000, -0.0000376000000000,  0.0001333900000000 ]  - [   0.0007148500000000, -0.0004127200000000, -0.0016202700000000 ]  - [   0.0002185600000000, -0.0001261800000000,  0.0001458600000000 ]  - [  -0.0000823200000000,  0.0002178000000000,  0.0001333900000000 ]  - [  -0.0007148500000000, -0.0004127200000000, -0.0016202700000000 ]  - [   0.0002297800000000, -0.0000376000000000,  0.0001333900000000 ]  - [  -0.0002185600000000, -0.0001261800000000,  0.0001458600000000 ]  - [   0.0000823200000000,  0.0002178000000000,  0.0001333900000000 ]  - [   0.0007229300000000,  0.0004173800000000, -0.0009933800000000 ]  - [  -0.0001656100000000,  0.0000957100000000, -0.0004768000000000 ]  - [   0.0001782500000000,  0.0001029100000000, -0.0005592900000000 ]  - [   0.0000000900000000, -0.0001912800000000, -0.0004768000000000 ]  - [   0.0001656100000000,  0.0000957100000000, -0.0004768000000000 ]  - [  -0.0007229300000000,  0.0004173800000000, -0.0009933800000000 ]  - [  -0.0001782500000000,  0.0001029100000000, -0.0005592900000000 ]  - [  -0.0000000900000000, -0.0001912800000000, -0.0004768000000000 ]  - [   0.0001656900000000,  0.0000955600000000, -0.0004768000000000 ]  - [  -0.0001656900000000,  0.0000955600000000, -0.0004768000000000 ]  - [   0.0000000000000000, -0.0002058300000000, -0.0005592900000000 ]  - [   0.0000000000000000, -0.0008347700000000, -0.0009933800000000 ]  - [  -0.0000128900000000,  0.0000680500000000, -0.0003553300000000 ]  - [   0.0000128900000000,  0.0000680500000000, -0.0003553300000000 ]  - [   0.0000000000000000,  0.0000769500000000, -0.0003069700000000 ]  - [   0.0000000000000000,  0.0000960500000000, -0.0002961400000000 ]  - [   0.0000524800000000, -0.0000451900000000, -0.0003553300000000 ]  - [   0.0000831800000000, -0.0000480200000000, -0.0002961400000000 ]  - [   0.0000666400000000, -0.0000384800000000, -0.0003069700000000 ]  - [   0.0000653800000000, -0.0000228600000000, -0.0003553300000000 ]  - [  -0.0000831800000000, -0.0000480200000000, -0.0002961400000000 ]  - [  -0.0000524800000000, -0.0000451900000000, -0.0003553300000000 ]  - [  -0.0000666400000000, -0.0000384800000000, -0.0003069700000000 ]  - [  -0.0000653800000000, -0.0000228600000000, -0.0003553300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063118500000000 ]  - [   0.0000000000000000, -0.0003843200000000,  0.0006036400000000 ]  - [   0.0003328300000000,  0.0001921600000000,  0.0006036400000000 ]  - [  -0.0003328300000000,  0.0001921600000000,  0.0006036400000000 ]  - [   0.0035485900000000,  0.0020487800000000, -0.0001541400000000 ]  - [  -0.0035485900000000,  0.0020487800000000, -0.0001541400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004343600000000 ]  - [   0.0000000000000000, -0.0040975600000000, -0.0001541400000000 ]  - [   0.0000000000000000,  0.0001413300000000,  0.0013023300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011734900000000 ]  - [   0.0001224000000000, -0.0000706700000000,  0.0013023300000000 ]  - [  -0.0001224000000000, -0.0000706700000000,  0.0013023300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0223108600000000 ]  - [   0.0000000000000000,  0.0001609100000000, -0.0014407800000000 ]  - [  -0.0001393500000000, -0.0000804600000000, -0.0014407800000000 ]  - [   0.0001393500000000, -0.0000804600000000, -0.0014407800000000 ]  - [  -0.0031556300000000, -0.0018219000000000, -0.0006355700000000 ]  - [   0.0031556300000000, -0.0018219000000000, -0.0006355700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011224800000000 ]  - [   0.0000000000000000,  0.0036438100000000, -0.0006355700000000 ]  - [   0.0002824100000000,  0.0001630500000000,  0.0006603900000000 ]  - [  -0.0002824100000000,  0.0001630500000000,  0.0006603900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004282400000000 ]  - [   0.0000000000000000, -0.0003261000000000,  0.0006603900000000 ]  - [   0.0000000000000000,  0.0007710900000000,  0.0006299000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002238700000000 ]  - [   0.0006677800000000, -0.0003855400000000,  0.0006299000000000 ]  - [  -0.0006677800000000, -0.0003855400000000,  0.0006299000000000 ]  - [   0.0000000000000000, -0.0001062000000000,  0.0006558500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004244400000000 ]  - [  -0.0000919700000000,  0.0000531000000000,  0.0006558500000000 ]  - [   0.0000919700000000,  0.0000531000000000,  0.0006558500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008066800000000 ]  - [   0.0000000000000000, -0.0000054200000000,  0.0006879900000000 ]  - [   0.0000046900000000,  0.0000027100000000,  0.0006879900000000 ]  - [  -0.0000046900000000,  0.0000027100000000,  0.0006879900000000 ]- atom:  109  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0064895300000000,  0.0001898800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002324200000000 ]  - [   0.0056200900000000, -0.0032447600000000,  0.0001898800000000 ]  - [  -0.0056200900000000, -0.0032447600000000,  0.0001898800000000 ]  - [   0.0000000000000000, -0.0043490500000000,  0.0002904400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000951900000000 ]  - [  -0.0037663900000000,  0.0021745300000000,  0.0002904400000000 ]  - [   0.0037663900000000,  0.0021745300000000,  0.0002904400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044030900000000 ]  - [   0.0000000000000000,  0.0002774900000000,  0.0001665300000000 ]  - [  -0.0002403100000000, -0.0001387500000000,  0.0001665300000000 ]  - [   0.0002403100000000, -0.0001387500000000,  0.0001665300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004547800000000 ]  - [   0.0000000000000000, -0.0000682100000000, -0.0002355500000000 ]  - [   0.0000590700000000,  0.0000341100000000, -0.0002355500000000 ]  - [  -0.0000590700000000,  0.0000341100000000, -0.0002355500000000 ]  - [  -0.0000174600000000, -0.0000100800000000,  0.0000068100000000 ]  - [   0.0000174600000000, -0.0000100800000000,  0.0000068100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000333000000000 ]  - [   0.0000000000000000,  0.0000201600000000,  0.0000068100000000 ]  - [   0.0007750400000000,  0.0004474700000000, -0.0002714200000000 ]  - [  -0.0007750400000000,  0.0004474700000000, -0.0002714200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002037900000000 ]  - [   0.0000000000000000, -0.0008949400000000, -0.0002714200000000 ]  - [   0.0011784200000000, -0.0013507300000000, -0.0030186800000000 ]  - [   0.0002832100000000,  0.0001635100000000, -0.0008275300000000 ]  - [  -0.0005805500000000,  0.0016959100000000, -0.0030186800000000 ]  - [  -0.0015659400000000, -0.0009041000000000, -0.0004839200000000 ]  - [  -0.0011784200000000, -0.0013507300000000, -0.0030186800000000 ]  - [  -0.0002832100000000,  0.0001635100000000, -0.0008275300000000 ]  - [   0.0015659400000000, -0.0009041000000000, -0.0004839200000000 ]  - [   0.0005805500000000,  0.0016959100000000, -0.0030186800000000 ]  - [   0.0000000000000000,  0.0018081900000000, -0.0004839200000000 ]  - [   0.0000000000000000, -0.0003270200000000, -0.0008275300000000 ]  - [  -0.0017589800000000, -0.0003451800000000, -0.0030186800000000 ]  - [   0.0017589800000000, -0.0003451800000000, -0.0030186800000000 ]  - [   0.0000000000000000, -0.0025911100000000, -0.0005102600000000 ]  - [   0.0000000000000000,  0.0000925200000000, -0.0000430300000000 ]  - [  -0.0010003300000000,  0.0025686400000000, -0.0002722700000000 ]  - [   0.0010003300000000,  0.0025686400000000, -0.0002722700000000 ]  - [   0.0017243400000000, -0.0021506400000000, -0.0002722700000000 ]  - [   0.0000801200000000, -0.0000462600000000, -0.0000430300000000 ]  - [  -0.0022439700000000,  0.0012955500000000, -0.0005102600000000 ]  - [   0.0027246800000000, -0.0004180100000000, -0.0002722700000000 ]  - [  -0.0017243400000000, -0.0021506400000000, -0.0002722700000000 ]  - [  -0.0000801200000000, -0.0000462600000000, -0.0000430300000000 ]  - [  -0.0027246800000000, -0.0004180100000000, -0.0002722700000000 ]  - [   0.0022439700000000,  0.0012955500000000, -0.0005102600000000 ]  - [   0.0000616200000000,  0.0000669000000000,  0.0002479300000000 ]  - [  -0.0000183400000000, -0.0000105900000000,  0.0002118000000000 ]  - [   0.0000887500000000,  0.0000199100000000,  0.0002479300000000 ]  - [  -0.0000301800000000, -0.0000174300000000,  0.0004565700000000 ]  - [  -0.0000616200000000,  0.0000669000000000,  0.0002479300000000 ]  - [   0.0000183400000000, -0.0000105900000000,  0.0002118000000000 ]  - [   0.0000301800000000, -0.0000174300000000,  0.0004565700000000 ]  - [  -0.0000887500000000,  0.0000199100000000,  0.0002479300000000 ]  - [   0.0000000000000000,  0.0000348500000000,  0.0004565700000000 ]  - [   0.0000000000000000,  0.0000211700000000,  0.0002118000000000 ]  - [   0.0000271300000000, -0.0000868100000000,  0.0002479300000000 ]  - [  -0.0000271300000000, -0.0000868100000000,  0.0002479300000000 ]  - [   0.0001487200000000,  0.0003299100000000,  0.0002077800000000 ]  - [  -0.0001487200000000,  0.0003299100000000,  0.0002077800000000 ]  - [   0.0000000000000000, -0.0001051900000000,  0.0001971400000000 ]  - [   0.0000000000000000, -0.0006657400000000,  0.0019481100000000 ]  - [   0.0003600700000000, -0.0000361600000000,  0.0002077800000000 ]  - [  -0.0005765500000000,  0.0003328700000000,  0.0019481100000000 ]  - [  -0.0000910900000000,  0.0000525900000000,  0.0001971400000000 ]  - [   0.0002113500000000, -0.0002937400000000,  0.0002077800000000 ]  - [   0.0005765500000000,  0.0003328700000000,  0.0019481100000000 ]  - [  -0.0003600700000000, -0.0000361600000000,  0.0002077800000000 ]  - [   0.0000910900000000,  0.0000525900000000,  0.0001971400000000 ]  - [  -0.0002113500000000, -0.0002937400000000,  0.0002077800000000 ]  - [  -0.0004623600000000, -0.0002669400000000,  0.0006733000000000 ]  - [   0.0004419200000000,  0.0000634700000000,  0.0001532000000000 ]  - [   0.0000866100000000,  0.0000500000000000,  0.0002353400000000 ]  - [   0.0002759200000000,  0.0003509800000000,  0.0001532000000000 ]  - [  -0.0004419200000000,  0.0000634700000000,  0.0001532000000000 ]  - [   0.0004623600000000, -0.0002669400000000,  0.0006733000000000 ]  - [  -0.0000866100000000,  0.0000500000000000,  0.0002353400000000 ]  - [  -0.0002759200000000,  0.0003509800000000,  0.0001532000000000 ]  - [  -0.0001659900000000, -0.0004144500000000,  0.0001532000000000 ]  - [   0.0001659900000000, -0.0004144500000000,  0.0001532000000000 ]  - [   0.0000000000000000, -0.0001000100000000,  0.0002353400000000 ]  - [   0.0000000000000000,  0.0005338900000000,  0.0006733000000000 ]  - [   0.0000112900000000,  0.0001586000000000,  0.0006197000000000 ]  - [  -0.0000112900000000,  0.0001586000000000,  0.0006197000000000 ]  - [   0.0000000000000000,  0.0001462000000000,  0.0005717200000000 ]  - [   0.0000000000000000,  0.0001382400000000,  0.0005594900000000 ]  - [   0.0001430000000000, -0.0000695200000000,  0.0006197000000000 ]  - [   0.0001197200000000, -0.0000691200000000,  0.0005594900000000 ]  - [   0.0001266200000000, -0.0000731000000000,  0.0005717200000000 ]  - [   0.0001317100000000, -0.0000890800000000,  0.0006197000000000 ]  - [  -0.0001197200000000, -0.0000691200000000,  0.0005594900000000 ]  - [  -0.0001430000000000, -0.0000695200000000,  0.0006197000000000 ]  - [  -0.0001266200000000, -0.0000731000000000,  0.0005717200000000 ]  - [  -0.0001317100000000, -0.0000890800000000,  0.0006197000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064015400000000 ]  - [   0.0000000000000000,  0.0003857600000000, -0.0006032800000000 ]  - [  -0.0003340800000000, -0.0001928800000000, -0.0006032800000000 ]  - [   0.0003340800000000, -0.0001928800000000, -0.0006032800000000 ]  - [  -0.0035338000000000, -0.0020402400000000, -0.0000604700000000 ]  - [   0.0035338000000000, -0.0020402400000000, -0.0000604700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002308600000000 ]  - [   0.0000000000000000,  0.0040804800000000, -0.0000604700000000 ]  - [   0.0000000000000000, -0.0001398200000000, -0.0011096100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009848400000000 ]  - [  -0.0001210900000000,  0.0000699100000000, -0.0011096100000000 ]  - [   0.0001210900000000,  0.0000699100000000, -0.0011096100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0225802400000000 ]  - [   0.0000000000000000, -0.0001641700000000,  0.0013332100000000 ]  - [   0.0001421700000000,  0.0000820800000000,  0.0013332100000000 ]  - [  -0.0001421700000000,  0.0000820800000000,  0.0013332100000000 ]  - [   0.0031710000000000,  0.0018307800000000,  0.0007829300000000 ]  - [  -0.0031710000000000,  0.0018307800000000,  0.0007829300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012580900000000 ]  - [   0.0000000000000000, -0.0036615500000000,  0.0007829300000000 ]  - [  -0.0002801400000000, -0.0001617400000000, -0.0007811700000000 ]  - [   0.0002801400000000, -0.0001617400000000, -0.0007811700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005506600000000 ]  - [   0.0000000000000000,  0.0003234700000000, -0.0007811700000000 ]  - [   0.0000000000000000, -0.0007640500000000, -0.0005073200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001012000000000 ]  - [  -0.0006616900000000,  0.0003820300000000, -0.0005073200000000 ]  - [   0.0006616900000000,  0.0003820300000000, -0.0005073200000000 ]  - [   0.0000000000000000,  0.0001077800000000, -0.0007841700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005524600000000 ]  - [   0.0000933400000000, -0.0000538900000000, -0.0007841700000000 ]  - [  -0.0000933400000000, -0.0000538900000000, -0.0007841700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006964800000000 ]  - [   0.0000000000000000,  0.0000045800000000, -0.0005778000000000 ]  - [  -0.0000039700000000, -0.0000022900000000, -0.0005778000000000 ]  - [   0.0000039700000000, -0.0000022900000000, -0.0005778000000000 ]