# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3919586f-a82c-4d66-bcd2-d3474e4ff3a1/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 Y2HfO5 / Cmcm (63) / materials id 755537](https://mdr.nims.go.jp/datasets/98be186a-0d3a-445e-9a91-58064963b10c)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.032470950000000,    -5.565257280000000,     0.000000000000000 ] # a  - [     2.032470950000000,     5.565257280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.756355109999999 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.860593020000000,  0.139406980000000,  0.565937250000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.860593020000000,  0.139406980000000,  0.934062750000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.139406980000000,  0.860593020000000,  0.065937250000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.139406980000000,  0.860593020000000,  0.434062750000000 ]    mass: 88.905850  - symbol: Hf # 5    coordinates: [  0.822476150000000,  0.177523850000000,  0.250000000000000 ]    mass: 178.490000  - symbol: Hf # 6    coordinates: [  0.177523850000000,  0.822476150000000,  0.750000000000000 ]    mass: 178.490000  - symbol: O  # 7    coordinates: [  0.951452940000000,  0.048547060000000,  0.119087870000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.709417060000000,  0.290582940000000,  0.412516670000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.951452940000000,  0.048547060000000,  0.380912130000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.709417060000000,  0.290582940000000,  0.087483330000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.734740640000000,  0.265259360000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.048547060000000,  0.951452940000000,  0.619087870000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.265259360000000,  0.734740640000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.290582940000000,  0.709417060000000,  0.587483330000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.048547060000000,  0.951452940000000,  0.880912130000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.290582940000000,  0.709417060000000,  0.912516670000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.246005976124776,    -0.089843106049537,     0.000000000000000 ] # a*  - [     0.246005976124776,     0.089843106049537,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.092968295465656 ] # c*unit_cell:  lattice:  - [     4.064941900000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.130514560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.756355109999999 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.139406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.000000000000000,  0.139406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.360593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.500000000000000,  0.360593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.500000000000000,  0.639406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 6    coordinates: [  0.500000000000000,  0.639406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 7    coordinates: [  0.000000000000000,  0.860593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 8    coordinates: [  0.000000000000000,  0.860593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Hf # 9    coordinates: [  0.000000000000000,  0.177523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 9  - symbol: Hf # 10    coordinates: [  0.500000000000000,  0.322476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 10  - symbol: Hf # 11    coordinates: [  0.500000000000000,  0.677523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 9  - symbol: Hf # 12    coordinates: [  0.000000000000000,  0.822476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 10  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.048547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.290582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.000000000000000,  0.048547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.000000000000000,  0.290582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.265259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.451452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.234740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.209417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.451452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.209417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.548547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.790582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 25    coordinates: [  0.500000000000000,  0.548547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.790582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 27    coordinates: [  0.500000000000000,  0.765259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.951452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.734740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.709417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.951452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 32    coordinates: [  0.000000000000000,  0.709417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 22supercell:  lattice:  - [    12.194825699999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.130514560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.756355109999999 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.139406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.333333333333333,  0.139406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.666666666666667,  0.139406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.139406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.333333333333333,  0.139406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 6    coordinates: [  0.666666666666667,  0.139406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 7    coordinates: [  0.166666666666667,  0.360593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.500000000000000,  0.360593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 9    coordinates: [  0.833333333333333,  0.360593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 10    coordinates: [  0.166666666666667,  0.360593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.500000000000000,  0.360593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 12    coordinates: [  0.833333333333333,  0.360593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 13    coordinates: [  0.166666666666667,  0.639406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 14    coordinates: [  0.500000000000000,  0.639406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 15    coordinates: [  0.833333333333333,  0.639406980000000,  0.565937250000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 16    coordinates: [  0.166666666666667,  0.639406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 17    coordinates: [  0.500000000000000,  0.639406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 18    coordinates: [  0.833333333333333,  0.639406980000000,  0.934062750000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 19    coordinates: [  0.000000000000000,  0.860593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 20    coordinates: [  0.333333333333333,  0.860593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 21    coordinates: [  0.666666666666667,  0.860593020000000,  0.065937250000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 22    coordinates: [  0.000000000000000,  0.860593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 23    coordinates: [  0.333333333333333,  0.860593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 24    coordinates: [  0.666666666666667,  0.860593020000000,  0.434062750000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Hf # 25    coordinates: [  0.000000000000000,  0.177523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 26    coordinates: [  0.333333333333333,  0.177523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 27    coordinates: [  0.666666666666667,  0.177523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 28    coordinates: [  0.166666666666667,  0.322476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 28  - symbol: Hf # 29    coordinates: [  0.500000000000000,  0.322476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 28  - symbol: Hf # 30    coordinates: [  0.833333333333333,  0.322476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 28  - symbol: Hf # 31    coordinates: [  0.166666666666667,  0.677523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 32    coordinates: [  0.500000000000000,  0.677523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 33    coordinates: [  0.833333333333333,  0.677523850000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 34    coordinates: [  0.000000000000000,  0.822476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 28  - symbol: Hf # 35    coordinates: [  0.333333333333333,  0.822476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 28  - symbol: Hf # 36    coordinates: [  0.666666666666667,  0.822476150000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 28  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.048547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.333333333333333,  0.048547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.666666666666667,  0.048547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.000000000000000,  0.290582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.333333333333333,  0.290582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.666666666666667,  0.290582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.048547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.333333333333333,  0.048547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.666666666666667,  0.048547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.000000000000000,  0.290582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.333333333333333,  0.290582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.666666666666667,  0.290582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.000000000000000,  0.265259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.333333333333333,  0.265259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.666666666666667,  0.265259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.166666666666667,  0.451452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.500000000000000,  0.451452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.833333333333333,  0.451452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.166666666666667,  0.234740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.234740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.833333333333333,  0.234740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.166666666666667,  0.209417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.500000000000000,  0.209417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.833333333333333,  0.209417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.166666666666667,  0.451452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.451452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.833333333333333,  0.451452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.166666666666667,  0.209417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.500000000000000,  0.209417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 66    coordinates: [  0.833333333333333,  0.209417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 67    coordinates: [  0.166666666666667,  0.548547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 68    coordinates: [  0.500000000000000,  0.548547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 69    coordinates: [  0.833333333333333,  0.548547060000000,  0.119087870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 70    coordinates: [  0.166666666666667,  0.790582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 71    coordinates: [  0.500000000000000,  0.790582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 72    coordinates: [  0.833333333333333,  0.790582940000000,  0.412516670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 73    coordinates: [  0.166666666666667,  0.548547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 74    coordinates: [  0.500000000000000,  0.548547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 75    coordinates: [  0.833333333333333,  0.548547060000000,  0.380912130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 76    coordinates: [  0.166666666666667,  0.790582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 77    coordinates: [  0.500000000000000,  0.790582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 78    coordinates: [  0.833333333333333,  0.790582940000000,  0.087483330000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 79    coordinates: [  0.166666666666667,  0.765259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 80    coordinates: [  0.500000000000000,  0.765259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 81    coordinates: [  0.833333333333333,  0.765259360000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 82    coordinates: [  0.000000000000000,  0.951452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 83    coordinates: [  0.333333333333333,  0.951452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 84    coordinates: [  0.666666666666667,  0.951452940000000,  0.619087870000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 85    coordinates: [  0.000000000000000,  0.734740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 86    coordinates: [  0.333333333333333,  0.734740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 87    coordinates: [  0.666666666666667,  0.734740640000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 88    coordinates: [  0.000000000000000,  0.709417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 89    coordinates: [  0.333333333333333,  0.709417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 90    coordinates: [  0.666666666666667,  0.709417060000000,  0.587483330000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 91    coordinates: [  0.000000000000000,  0.951452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 92    coordinates: [  0.333333333333333,  0.951452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 93    coordinates: [  0.666666666666667,  0.951452940000000,  0.880912130000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 94    coordinates: [  0.000000000000000,  0.709417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 95    coordinates: [  0.333333333333333,  0.709417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 96    coordinates: [  0.666666666666667,  0.709417060000000,  0.912516670000000 ]    mass: 15.999400    reduced_to: 64displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1824930500000000, -0.0016809100000000, -0.0005138800000000 ]  - [   0.0252326900000000, -0.0026517400000000, -0.0014348000000000 ]  - [   0.0250268600000000,  0.0027031300000000,  0.0014452600000000 ]  - [  -0.0060686000000000, -0.0000084800000000, -0.0000159200000000 ]  - [   0.0025899700000000, -0.0003711600000000,  0.0020246100000000 ]  - [   0.0025912800000000,  0.0004041700000000, -0.0020220100000000 ]  - [  -0.0012246600000000,  0.0001680400000000,  0.0007730500000000 ]  - [   0.0023910200000000, -0.0000189000000000,  0.0000081500000000 ]  - [  -0.0012068200000000, -0.0002069800000000, -0.0007444500000000 ]  - [   0.0016968100000000,  0.0192433900000000, -0.0146567000000000 ]  - [   0.0057865700000000, -0.0000129000000000, -0.0000107800000000 ]  - [   0.0017209300000000, -0.0191193500000000,  0.0145327800000000 ]  - [  -0.0013099300000000,  0.0031056700000000, -0.0000956100000000 ]  - [   0.0025870800000000,  0.0000260100000000,  0.0000068100000000 ]  - [  -0.0012765500000000, -0.0030217300000000,  0.0001088000000000 ]  - [  -0.0009037800000000,  0.0018104300000000,  0.0006254000000000 ]  - [   0.0017779400000000,  0.0000267300000000, -0.0000051500000000 ]  - [  -0.0008828900000000, -0.0017404700000000, -0.0006402800000000 ]  - [  -0.0015625800000000, -0.0000103800000000,  0.0000068600000000 ]  - [   0.0007899000000000, -0.0009874900000000,  0.0001997100000000 ]  - [   0.0008033700000000,  0.0009343200000000, -0.0001845600000000 ]  - [  -0.0082888100000000,  0.0000828300000000,  0.0000402700000000 ]  - [   0.0022210300000000, -0.0036111000000000, -0.0016193000000000 ]  - [   0.0022453800000000,  0.0035322500000000,  0.0015916100000000 ]  - [  -0.0089557200000000,  0.0002047400000000,  0.0001046800000000 ]  - [   0.0031701100000000,  0.0012118700000000, -0.0046452400000000 ]  - [   0.0031885800000000, -0.0006322200000000,  0.0046089800000000 ]  - [  -0.0010658300000000,  0.0200633200000000,  0.0264686700000000 ]  - [   0.0084372600000000, -0.0002776300000000,  0.0000084800000000 ]  - [  -0.0010957400000000, -0.0204603300000000, -0.0263005300000000 ]  - [  -0.0010795000000000,  0.0017592000000000, -0.0017987100000000 ]  - [   0.0021284600000000,  0.0002904000000000, -0.0000036600000000 ]  - [  -0.0010537200000000, -0.0011610500000000,  0.0018029800000000 ]  - [  -0.0040174100000000, -0.0002010600000000, -0.0000907800000000 ]  - [   0.0017686300000000, -0.0038444200000000,  0.0028875100000000 ]  - [   0.0018024300000000,  0.0032333900000000, -0.0028636600000000 ]  - [   0.0006844000000000, -0.0000426300000000, -0.0001197400000000 ]  - [  -0.0003801100000000,  0.0006644400000000,  0.0006783000000000 ]  - [  -0.0003854200000000, -0.0007443500000000, -0.0008672900000000 ]  - [   0.0188637200000000, -0.0001576200000000, -0.0000676600000000 ]  - [  -0.0050027600000000, -0.0022035700000000,  0.0031922400000000 ]  - [  -0.0049965200000000,  0.0018811200000000, -0.0034742000000000 ]  - [   0.0132940700000000,  0.0000055100000000,  0.0000884500000000 ]  - [  -0.0024631500000000,  0.0011434200000000,  0.0035909500000000 ]  - [  -0.0024490600000000, -0.0012183100000000, -0.0033664100000000 ]  - [   0.0028054300000000, -0.0001383400000000,  0.0001340400000000 ]  - [  -0.0013922100000000, -0.0007876500000000,  0.0005545200000000 ]  - [  -0.0013988700000000,  0.0004780200000000, -0.0002516300000000 ]  - [   0.0220651400000000,  0.0001409000000000, -0.0001059300000000 ]  - [  -0.0067583000000000, -0.0023713100000000, -0.0034643500000000 ]  - [  -0.0067508600000000,  0.0027269300000000,  0.0034535100000000 ]  - [   0.0002776300000000, -0.0077304900000000, -0.0006171500000000 ]  - [  -0.0012219300000000,  0.0000377200000000, -0.0000963200000000 ]  - [   0.0002773100000000,  0.0077606200000000,  0.0004282800000000 ]  - [   0.0020443900000000,  0.0001475200000000,  0.0021779300000000 ]  - [  -0.0039284500000000, -0.0001845600000000,  0.0000036000000000 ]  - [   0.0019942600000000, -0.0005035500000000, -0.0021679600000000 ]  - [   0.0520928800000000,  0.0127746500000000,  0.0017093500000000 ]  - [  -0.0097311000000000,  0.0001403500000000,  0.0001473900000000 ]  - [   0.0488036200000000, -0.0110887300000000, -0.0010031100000000 ]  - [   0.0005925400000000, -0.0044134600000000, -0.0045089100000000 ]  - [  -0.0010193700000000,  0.0000388400000000,  0.0000929500000000 ]  - [   0.0005909200000000,  0.0044655300000000,  0.0046705600000000 ]  - [   0.0016533500000000,  0.0003837100000000, -0.0033285700000000 ]  - [  -0.0030905100000000,  0.0001535800000000, -0.0001549100000000 ]  - [   0.0016385900000000, -0.0000736100000000,  0.0030004500000000 ]  - [   0.0002604400000000, -0.0006266500000000, -0.0002579500000000 ]  - [  -0.0005078700000000, -0.0000470200000000, -0.0000978800000000 ]  - [   0.0002556700000000,  0.0005253000000000,  0.0000588200000000 ]  - [   0.0012393300000000, -0.0001177700000000,  0.0005957900000000 ]  - [  -0.0024563000000000, -0.0001512600000000, -0.0001495500000000 ]  - [   0.0011883800000000, -0.0002079800000000, -0.0009049100000000 ]  - [   0.0003362600000000, -0.0039566500000000,  0.0015255700000000 ]  - [  -0.0007414200000000, -0.0000501700000000,  0.0000997300000000 ]  - [   0.0003302100000000,  0.0038350900000000, -0.0013244100000000 ]  - [   0.0007126900000000, -0.0007110000000000,  0.0003321100000000 ]  - [  -0.0014027400000000, -0.0001535300000000,  0.0001512700000000 ]  - [   0.0006946200000000,  0.0004001800000000, -0.0000299000000000 ]  - [   0.0013947800000000, -0.0000100000000000, -0.0003180400000000 ]  - [  -0.0027103200000000,  0.0001856500000000, -0.0000015200000000 ]  - [   0.0013387500000000,  0.0003622200000000,  0.0003254300000000 ]  - [   0.0127989400000000,  0.0000595700000000, -0.0000496100000000 ]  - [  -0.0027259700000000,  0.0052616500000000, -0.0015688700000000 ]  - [  -0.0027064100000000, -0.0051216700000000,  0.0013612700000000 ]  - [   0.0021327200000000, -0.0001991900000000, -0.0000079700000000 ]  - [  -0.0010604300000000,  0.0003022400000000,  0.0003280900000000 ]  - [  -0.0010745800000000, -0.0006698900000000, -0.0003272000000000 ]  - [   0.0025512600000000,  0.0001200500000000,  0.0001502700000000 ]  - [  -0.0012792600000000,  0.0009882300000000,  0.0000881300000000 ]  - [  -0.0012941700000000, -0.0006762800000000,  0.0002135200000000 ]  - [   0.0016987500000000,  0.0000502300000000,  0.0001257700000000 ]  - [  -0.0006173300000000,  0.0007605900000000, -0.0007786700000000 ]  - [  -0.0006209500000000, -0.0006606800000000,  0.0009682300000000 ]  - [   0.0018863900000000,  0.0001345400000000, -0.0001298800000000 ]  - [  -0.0008951900000000,  0.0006949300000000, -0.0007381000000000 ]  - [  -0.0009065900000000, -0.0003870000000000,  0.0004334600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.1890001700000000, -0.0088742300000000 ]  - [   0.0026368300000000, -0.0064149600000000, -0.0008046500000000 ]  - [  -0.0026368300000000, -0.0064149600000000, -0.0008046500000000 ]  - [   0.0000000000000000, -0.0124502100000000,  0.0028601000000000 ]  - [   0.0003860800000000, -0.0027476500000000,  0.0007280300000000 ]  - [  -0.0003860800000000, -0.0027476500000000,  0.0007280300000000 ]  - [   0.0001840000000000,  0.0013015500000000,  0.0007812300000000 ]  - [   0.0000000000000000,  0.0009454600000000,  0.0002515100000000 ]  - [  -0.0001840000000000,  0.0013015500000000,  0.0007812300000000 ]  - [   0.0192607300000000,  0.0139832300000000, -0.0091552900000000 ]  - [   0.0000000000000000,  0.0018137600000000, -0.0005509500000000 ]  - [  -0.0192607300000000,  0.0139832300000000, -0.0091552900000000 ]  - [  -0.0030468100000000,  0.0092938900000000,  0.0006292300000000 ]  - [   0.0000000000000000,  0.0025773100000000,  0.0001853800000000 ]  - [   0.0030468100000000,  0.0092938900000000,  0.0006292300000000 ]  - [  -0.0017708400000000,  0.0047978000000000, -0.0008819500000000 ]  - [   0.0000000000000000,  0.0019144600000000, -0.0001387100000000 ]  - [   0.0017708400000000,  0.0047978000000000, -0.0008819500000000 ]  - [   0.0000000000000000,  0.0006371700000000, -0.0017573300000000 ]  - [  -0.0009576400000000, -0.0010618200000000, -0.0002992800000000 ]  - [   0.0009576400000000, -0.0010618200000000, -0.0002992800000000 ]  - [   0.0000000000000000,  0.0334070400000000,  0.0230279200000000 ]  - [  -0.0035578700000000, -0.0007869700000000,  0.0008031500000000 ]  - [   0.0035578700000000, -0.0007869700000000,  0.0008031500000000 ]  - [   0.0000000000000000, -0.0306067300000000, -0.0020522000000000 ]  - [   0.0004142600000000, -0.0029021900000000, -0.0010392300000000 ]  - [  -0.0004142600000000, -0.0029021900000000, -0.0010392300000000 ]  - [   0.0165958600000000,  0.0086187100000000,  0.0132438500000000 ]  - [   0.0000000000000000,  0.0013501300000000,  0.0011632300000000 ]  - [  -0.0165958600000000,  0.0086187100000000,  0.0132438500000000 ]  - [  -0.0019360800000000,  0.0059342000000000,  0.0006766400000000 ]  - [   0.0000000000000000,  0.0020807400000000, -0.0000610900000000 ]  - [   0.0019360800000000,  0.0059342000000000,  0.0006766400000000 ]  - [   0.0000000000000000,  0.0276821500000000, -0.0275929700000000 ]  - [  -0.0041276700000000, -0.0006490300000000, -0.0009449900000000 ]  - [   0.0041276700000000, -0.0006490300000000, -0.0009449900000000 ]  - [   0.0000000000000000,  0.0054287100000000, -0.0015929600000000 ]  - [   0.0001333700000000,  0.0017321500000000,  0.0002888500000000 ]  - [  -0.0001333700000000,  0.0017321500000000,  0.0002888500000000 ]  - [   0.0000000000000000,  0.0122362600000000,  0.0089147100000000 ]  - [  -0.0031272400000000,  0.0012202400000000,  0.0016827700000000 ]  - [   0.0031272400000000,  0.0012202400000000,  0.0016827700000000 ]  - [   0.0000000000000000,  0.0285937000000000, -0.0011383500000000 ]  - [   0.0010118000000000,  0.0029703000000000,  0.0001008800000000 ]  - [  -0.0010118000000000,  0.0029703000000000,  0.0001008800000000 ]  - [   0.0000000000000000,  0.0022507700000000, -0.0018857700000000 ]  - [  -0.0003113200000000, -0.0000953500000000,  0.0000968000000000 ]  - [   0.0003113200000000, -0.0000953500000000,  0.0000968000000000 ]  - [   0.0000000000000000,  0.0080166200000000, -0.0042234600000000 ]  - [  -0.0030977400000000,  0.0008808100000000, -0.0010586900000000 ]  - [   0.0030977400000000,  0.0008808100000000, -0.0010586900000000 ]  - [  -0.0024055900000000, -0.0065030500000000, -0.0002903700000000 ]  - [   0.0000000000000000, -0.0017164000000000,  0.0002141400000000 ]  - [   0.0024055900000000, -0.0065030500000000, -0.0002903700000000 ]  - [  -0.0008648300000000,  0.0031855400000000,  0.0027987300000000 ]  - [   0.0000000000000000,  0.0001817200000000,  0.0006166100000000 ]  - [   0.0008648300000000,  0.0031855400000000,  0.0027987300000000 ]  - [   0.0168265800000000,  0.0222268700000000,  0.0023907500000000 ]  - [   0.0000000000000000, -0.0006469200000000, -0.0001121700000000 ]  - [  -0.0168265800000000,  0.0222268700000000,  0.0023907500000000 ]  - [  -0.0005249100000000, -0.0042779600000000, -0.0036461600000000 ]  - [   0.0000000000000000, -0.0015213200000000, -0.0008261300000000 ]  - [   0.0005249100000000, -0.0042779600000000, -0.0036461600000000 ]  - [  -0.0014178200000000,  0.0022759800000000, -0.0033093600000000 ]  - [   0.0000000000000000,  0.0004686400000000, -0.0009202200000000 ]  - [   0.0014178200000000,  0.0022759800000000, -0.0033093600000000 ]  - [   0.0001723900000000, -0.0027481500000000, -0.0005307200000000 ]  - [   0.0000000000000000, -0.0012624800000000, -0.0003453300000000 ]  - [  -0.0001723900000000, -0.0027481500000000, -0.0005307200000000 ]  - [   0.0051647000000000, -0.0048764300000000, -0.0022874000000000 ]  - [   0.0000000000000000, -0.0009139700000000, -0.0004402800000000 ]  - [  -0.0051647000000000, -0.0048764300000000, -0.0022874000000000 ]  - [  -0.0003638100000000, -0.0066974400000000,  0.0015219200000000 ]  - [   0.0000000000000000, -0.0019052200000000,  0.0005632000000000 ]  - [   0.0003638100000000, -0.0066974400000000,  0.0015219200000000 ]  - [   0.0014179500000000, -0.0009281000000000,  0.0004831600000000 ]  - [   0.0000000000000000, -0.0003887100000000,  0.0002604600000000 ]  - [  -0.0014179500000000, -0.0009281000000000,  0.0004831600000000 ]  - [   0.0061972900000000, -0.0035946300000000,  0.0013552600000000 ]  - [   0.0000000000000000, -0.0006902300000000,  0.0000938000000000 ]  - [  -0.0061972900000000, -0.0035946300000000,  0.0013552600000000 ]  - [   0.0000000000000000,  0.0524114000000000, -0.0059939500000000 ]  - [   0.0020540700000000,  0.0025085300000000, -0.0005135800000000 ]  - [  -0.0020540700000000,  0.0025085300000000, -0.0005135800000000 ]  - [   0.0000000000000000, -0.0038833900000000, -0.0023086500000000 ]  - [   0.0009809100000000, -0.0006279300000000, -0.0004043000000000 ]  - [  -0.0009809100000000, -0.0006279300000000, -0.0004043000000000 ]  - [   0.0000000000000000, -0.0099406600000000, -0.0010918000000000 ]  - [   0.0011397900000000, -0.0006783300000000, -0.0001355400000000 ]  - [  -0.0011397900000000, -0.0006783300000000, -0.0001355400000000 ]  - [   0.0000000000000000,  0.0035098500000000,  0.0104265000000000 ]  - [   0.0005900800000000,  0.0017314700000000,  0.0011166300000000 ]  - [  -0.0005900800000000,  0.0017314700000000,  0.0011166300000000 ]  - [   0.0000000000000000, -0.0041425800000000,  0.0054137500000000 ]  - [   0.0009283300000000, -0.0002897400000000,  0.0005612400000000 ]  - [  -0.0009283300000000, -0.0002897400000000,  0.0005612400000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.1924696900000000,  0.0085056800000000 ]  - [  -0.0027179100000000,  0.0065147100000000,  0.0008351600000000 ]  - [   0.0027179100000000,  0.0065147100000000,  0.0008351600000000 ]  - [   0.0000000000000000,  0.0125571600000000, -0.0029220600000000 ]  - [  -0.0003889600000000,  0.0028098000000000, -0.0007511300000000 ]  - [   0.0003889600000000,  0.0028098000000000, -0.0007511300000000 ]  - [  -0.0001908600000000, -0.0013619100000000, -0.0007681800000000 ]  - [   0.0000000000000000, -0.0009981000000000, -0.0002409300000000 ]  - [   0.0001908600000000, -0.0013619100000000, -0.0007681800000000 ]  - [  -0.0191016900000000, -0.0140111100000000,  0.0090418000000000 ]  - [   0.0000000000000000, -0.0018761300000000,  0.0005453600000000 ]  - [   0.0191016900000000, -0.0140111100000000,  0.0090418000000000 ]  - [   0.0030804700000000, -0.0092807300000000, -0.0006242600000000 ]  - [   0.0000000000000000, -0.0025516500000000, -0.0001728300000000 ]  - [  -0.0030804700000000, -0.0092807300000000, -0.0006242600000000 ]  - [   0.0017806500000000, -0.0047813500000000,  0.0008802300000000 ]  - [   0.0000000000000000, -0.0018849800000000,  0.0001266600000000 ]  - [  -0.0017806500000000, -0.0047813500000000,  0.0008802300000000 ]  - [   0.0000000000000000, -0.0006722700000000,  0.0017920100000000 ]  - [   0.0009642000000000,  0.0010314900000000,  0.0003145300000000 ]  - [  -0.0009642000000000,  0.0010314900000000,  0.0003145300000000 ]  - [   0.0000000000000000, -0.0339301400000000, -0.0234380600000000 ]  - [   0.0035852700000000,  0.0007684100000000, -0.0008222200000000 ]  - [  -0.0035852700000000,  0.0007684100000000, -0.0008222200000000 ]  - [   0.0000000000000000,  0.0311892100000000,  0.0021453700000000 ]  - [  -0.0004210900000000,  0.0034824400000000,  0.0010540600000000 ]  - [   0.0004210900000000,  0.0034824400000000,  0.0010540600000000 ]  - [  -0.0165086100000000, -0.0093025900000000, -0.0132174000000000 ]  - [   0.0000000000000000, -0.0019476400000000, -0.0011750100000000 ]  - [   0.0165086100000000, -0.0093025900000000, -0.0132174000000000 ]  - [   0.0019511100000000, -0.0053870700000000, -0.0007009600000000 ]  - [   0.0000000000000000, -0.0015176300000000,  0.0000589600000000 ]  - [  -0.0019511100000000, -0.0053870700000000, -0.0007009600000000 ]  - [   0.0000000000000000, -0.0285422800000000,  0.0278706100000000 ]  - [   0.0041610300000000,  0.0000913000000000,  0.0009506800000000 ]  - [  -0.0041610300000000,  0.0000913000000000,  0.0009506800000000 ]  - [   0.0000000000000000, -0.0055401800000000,  0.0013755200000000 ]  - [  -0.0001336000000000, -0.0018330900000000, -0.0004878800000000 ]  - [   0.0001336000000000, -0.0018330900000000, -0.0004878800000000 ]  - [   0.0000000000000000, -0.0117641800000000, -0.0099044300000000 ]  - [   0.0031280000000000, -0.0015146000000000, -0.0019989200000000 ]  - [  -0.0031280000000000, -0.0015146000000000, -0.0019989200000000 ]  - [   0.0000000000000000, -0.0289692600000000,  0.0009692000000000 ]  - [  -0.0010100100000000, -0.0030830300000000,  0.0000812500000000 ]  - [   0.0010100100000000, -0.0030830300000000,  0.0000812500000000 ]  - [   0.0000000000000000, -0.0025598700000000,  0.0021811800000000 ]  - [   0.0003122900000000, -0.0002097100000000,  0.0002054200000000 ]  - [  -0.0003122900000000, -0.0002097100000000,  0.0002054200000000 ]  - [   0.0000000000000000, -0.0073418300000000,  0.0046113200000000 ]  - [   0.0031248000000000, -0.0004996600000000,  0.0010861000000000 ]  - [  -0.0031248000000000, -0.0004996600000000,  0.0010861000000000 ]  - [   0.0023753600000000,  0.0066203500000000,  0.0000732700000000 ]  - [   0.0000000000000000,  0.0018245400000000, -0.0004136000000000 ]  - [  -0.0023753600000000,  0.0066203500000000,  0.0000732700000000 ]  - [   0.0008683300000000, -0.0035528600000000, -0.0028008400000000 ]  - [   0.0000000000000000, -0.0005514600000000, -0.0006191700000000 ]  - [  -0.0008683300000000, -0.0035528600000000, -0.0028008400000000 ]  - [  -0.0162284300000000, -0.0218456300000000, -0.0019740500000000 ]  - [   0.0000000000000000,  0.0009694800000000,  0.0004169200000000 ]  - [   0.0162284300000000, -0.0218456300000000, -0.0019740500000000 ]  - [   0.0005247200000000,  0.0044038200000000,  0.0038549100000000 ]  - [   0.0000000000000000,  0.0016256200000000,  0.0010284700000000 ]  - [  -0.0005247200000000,  0.0044038200000000,  0.0038549100000000 ]  - [   0.0014196200000000, -0.0019713300000000,  0.0030182600000000 ]  - [   0.0000000000000000, -0.0001648700000000,  0.0006246500000000 ]  - [  -0.0014196200000000, -0.0019713300000000,  0.0030182600000000 ]  - [  -0.0001731100000000,  0.0026812100000000,  0.0003447900000000 ]  - [   0.0000000000000000,  0.0011840600000000,  0.0001544000000000 ]  - [   0.0001731100000000,  0.0026812100000000,  0.0003447900000000 ]  - [  -0.0052083500000000,  0.0045973400000000,  0.0020081200000000 ]  - [   0.0000000000000000,  0.0006096800000000,  0.0001390500000000 ]  - [   0.0052083500000000,  0.0045973400000000,  0.0020081200000000 ]  - [   0.0003607500000000,  0.0066352900000000, -0.0013204400000000 ]  - [   0.0000000000000000,  0.0018297600000000, -0.0003710500000000 ]  - [  -0.0003607500000000,  0.0066352900000000, -0.0013204400000000 ]  - [  -0.0014274100000000,  0.0006224100000000, -0.0001794800000000 ]  - [   0.0000000000000000,  0.0000827500000000,  0.0000427300000000 ]  - [   0.0014274100000000,  0.0006224100000000, -0.0001794800000000 ]  - [  -0.0062399300000000,  0.0039875500000000, -0.0013721900000000 ]  - [   0.0000000000000000,  0.0010644200000000, -0.0000956000000000 ]  - [   0.0062399300000000,  0.0039875500000000, -0.0013721900000000 ]  - [   0.0000000000000000, -0.0561270600000000,  0.0068949200000000 ]  - [  -0.0020687900000000, -0.0024572200000000,  0.0003274200000000 ]  - [   0.0020687900000000, -0.0024572200000000,  0.0003274200000000 ]  - [   0.0000000000000000,  0.0035355700000000,  0.0023296700000000 ]  - [  -0.0009914500000000,  0.0002573100000000,  0.0004085100000000 ]  - [   0.0009914500000000,  0.0002573100000000,  0.0004085100000000 ]  - [   0.0000000000000000,  0.0103247100000000,  0.0013974300000000 ]  - [  -0.0011560700000000,  0.0009808700000000,  0.0004388700000000 ]  - [   0.0011560700000000,  0.0009808700000000,  0.0004388700000000 ]  - [   0.0000000000000000, -0.0034492800000000, -0.0103332200000000 ]  - [  -0.0005937200000000, -0.0016585600000000, -0.0009292900000000 ]  - [   0.0005937200000000, -0.0016585600000000, -0.0009292900000000 ]  - [   0.0000000000000000,  0.0044613300000000, -0.0057380800000000 ]  - [  -0.0009361600000000,  0.0005965700000000, -0.0008691800000000 ]  - [   0.0009361600000000,  0.0005965700000000, -0.0008691800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0086117300000000, -0.1327207400000000 ]  - [   0.0014025600000000, -0.0007923800000000, -0.0039659700000000 ]  - [  -0.0014025600000000, -0.0007923800000000, -0.0039659700000000 ]  - [   0.0000000000000000, -0.0028610400000000,  0.0235250700000000 ]  - [   0.0020315400000000, -0.0007215900000000,  0.0024686900000000 ]  - [  -0.0020315400000000, -0.0007215900000000,  0.0024686900000000 ]  - [  -0.0007529200000000, -0.0007803000000000,  0.0058517400000000 ]  - [   0.0000000000000000, -0.0002637100000000,  0.0014488600000000 ]  - [   0.0007529200000000, -0.0007803000000000,  0.0058517400000000 ]  - [  -0.0145644100000000, -0.0091134100000000, -0.0050219200000000 ]  - [   0.0000000000000000, -0.0005713500000000, -0.0014134200000000 ]  - [   0.0145644100000000, -0.0091134100000000, -0.0050219200000000 ]  - [   0.0000990000000000,  0.0006516400000000, -0.0029647700000000 ]  - [   0.0000000000000000,  0.0002011600000000, -0.0008780900000000 ]  - [  -0.0000990000000000,  0.0006516400000000, -0.0029647700000000 ]  - [   0.0006319800000000,  0.0009039100000000,  0.0018341100000000 ]  - [   0.0000000000000000,  0.0001552400000000,  0.0006733400000000 ]  - [  -0.0006319800000000,  0.0009039100000000,  0.0018341100000000 ]  - [   0.0000000000000000,  0.0017309300000000,  0.0063009200000000 ]  - [  -0.0001898000000000,  0.0002820000000000,  0.0015179700000000 ]  - [   0.0001898000000000,  0.0002820000000000,  0.0015179700000000 ]  - [   0.0000000000000000,  0.0231576900000000, -0.0104208300000000 ]  - [  -0.0016049600000000,  0.0007922600000000, -0.0016566800000000 ]  - [   0.0016049600000000,  0.0007922600000000, -0.0016566800000000 ]  - [   0.0000000000000000, -0.0122940900000000,  0.0471767500000000 ]  - [  -0.0045955900000000,  0.0007475200000000,  0.0018800400000000 ]  - [   0.0045955900000000,  0.0007475200000000,  0.0018800400000000 ]  - [   0.0219524800000000,  0.0121761600000000,  0.0017428100000000 ]  - [   0.0000000000000000,  0.0008459300000000, -0.0004251600000000 ]  - [  -0.0219524800000000,  0.0121761600000000,  0.0017428100000000 ]  - [  -0.0009763700000000,  0.0006597000000000,  0.0025355800000000 ]  - [   0.0000000000000000,  0.0004990200000000,  0.0005259800000000 ]  - [   0.0009763700000000,  0.0006597000000000,  0.0025355800000000 ]  - [   0.0000000000000000, -0.0116181400000000,  0.0033516100000000 ]  - [   0.0013093100000000, -0.0008664800000000, -0.0004740900000000 ]  - [  -0.0013093100000000, -0.0008664800000000, -0.0004740900000000 ]  - [   0.0000000000000000, -0.0031271600000000, -0.0123147600000000 ]  - [   0.0003821300000000, -0.0006364500000000, -0.0020059400000000 ]  - [  -0.0003821300000000, -0.0006364500000000, -0.0020059400000000 ]  - [   0.0000000000000000,  0.0013564900000000,  0.0150491300000000 ]  - [   0.0021255900000000, -0.0012237900000000,  0.0012429800000000 ]  - [  -0.0021255900000000, -0.0012237900000000,  0.0012429800000000 ]  - [   0.0000000000000000,  0.0105280500000000,  0.0332519500000000 ]  - [   0.0015611700000000, -0.0002329400000000,  0.0011994200000000 ]  - [  -0.0015611700000000, -0.0002329400000000,  0.0011994200000000 ]  - [   0.0000000000000000,  0.0022438500000000, -0.0083479300000000 ]  - [   0.0004819300000000,  0.0000121400000000, -0.0019640100000000 ]  - [  -0.0004819300000000,  0.0000121400000000, -0.0019640100000000 ]  - [   0.0000000000000000, -0.0049895300000000,  0.0038643300000000 ]  - [  -0.0031412100000000,  0.0013826600000000,  0.0003922400000000 ]  - [   0.0031412100000000,  0.0013826600000000,  0.0003922400000000 ]  - [  -0.0008131900000000, -0.0025321000000000,  0.0050460200000000 ]  - [   0.0000000000000000, -0.0004264500000000,  0.0009309700000000 ]  - [   0.0008131900000000, -0.0025321000000000,  0.0050460200000000 ]  - [   0.0067519200000000,  0.0022541200000000, -0.0038798800000000 ]  - [   0.0000000000000000,  0.0007455700000000, -0.0004365300000000 ]  - [  -0.0067519200000000,  0.0022541200000000, -0.0038798800000000 ]  - [   0.0037487700000000,  0.0022508800000000,  0.0147659800000000 ]  - [   0.0000000000000000, -0.0002545100000000,  0.0013659600000000 ]  - [  -0.0037487700000000,  0.0022508800000000,  0.0147659800000000 ]  - [  -0.0011105400000000, -0.0022526100000000, -0.0028477600000000 ]  - [   0.0000000000000000, -0.0003069800000000, -0.0005871200000000 ]  - [   0.0011105400000000, -0.0022526100000000, -0.0028477600000000 ]  - [  -0.0037821500000000, -0.0004258100000000, -0.0049425800000000 ]  - [   0.0000000000000000, -0.0002416300000000, -0.0010100700000000 ]  - [   0.0037821500000000, -0.0004258100000000, -0.0049425800000000 ]  - [   0.0001507500000000, -0.0003143000000000, -0.0017447300000000 ]  - [   0.0000000000000000, -0.0001123300000000, -0.0006438200000000 ]  - [  -0.0001507500000000, -0.0003143000000000, -0.0017447300000000 ]  - [   0.0021288700000000, -0.0022248300000000,  0.0005231600000000 ]  - [   0.0000000000000000, -0.0005442800000000,  0.0001157800000000 ]  - [  -0.0021288700000000, -0.0022248300000000,  0.0005231600000000 ]  - [   0.0006718000000000,  0.0015676800000000,  0.0003671100000000 ]  - [   0.0000000000000000,  0.0001281500000000,  0.0003436000000000 ]  - [  -0.0006718000000000,  0.0015676800000000,  0.0003671100000000 ]  - [   0.0000869700000000, -0.0003567900000000, -0.0013125100000000 ]  - [   0.0000000000000000, -0.0002135700000000, -0.0004000900000000 ]  - [  -0.0000869700000000, -0.0003567900000000, -0.0013125100000000 ]  - [  -0.0015517600000000,  0.0014283700000000,  0.0001554500000000 ]  - [   0.0000000000000000,  0.0005244000000000,  0.0001540400000000 ]  - [   0.0015517600000000,  0.0014283700000000,  0.0001554500000000 ]  - [   0.0000000000000000, -0.0096362600000000,  0.0166119300000000 ]  - [  -0.0004890300000000,  0.0005437600000000,  0.0011241600000000 ]  - [   0.0004890300000000,  0.0005437600000000,  0.0011241600000000 ]  - [   0.0000000000000000, -0.0008423300000000, -0.0010577800000000 ]  - [   0.0005791300000000, -0.0000772700000000, -0.0003994100000000 ]  - [  -0.0005791300000000, -0.0000772700000000, -0.0003994100000000 ]  - [   0.0000000000000000,  0.0012143300000000,  0.0041890400000000 ]  - [  -0.0000678200000000,  0.0001425500000000,  0.0011033100000000 ]  - [   0.0000678200000000,  0.0001425500000000,  0.0011033100000000 ]  - [   0.0000000000000000,  0.0048091600000000, -0.0051518000000000 ]  - [  -0.0004580600000000,  0.0005729400000000, -0.0004895300000000 ]  - [   0.0004580600000000,  0.0005729400000000, -0.0004895300000000 ]  - [   0.0000000000000000,  0.0011452000000000, -0.0019499000000000 ]  - [  -0.0003859200000000, -0.0000023200000000, -0.0006416000000000 ]  - [   0.0003859200000000, -0.0000023200000000, -0.0006416000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0088057300000000,  0.1355397800000000 ]  - [  -0.0014776800000000,  0.0008477100000000,  0.0039952400000000 ]  - [   0.0014776800000000,  0.0008477100000000,  0.0039952400000000 ]  - [   0.0000000000000000,  0.0029219600000000, -0.0233723700000000 ]  - [  -0.0020148600000000,  0.0007576800000000, -0.0024944400000000 ]  - [   0.0020148600000000,  0.0007576800000000, -0.0024944400000000 ]  - [   0.0007646300000000,  0.0007694100000000, -0.0058551900000000 ]  - [   0.0000000000000000,  0.0002287900000000, -0.0014402300000000 ]  - [  -0.0007646300000000,  0.0007694100000000, -0.0058551900000000 ]  - [   0.0146237300000000,  0.0090831500000000,  0.0051085300000000 ]  - [   0.0000000000000000,  0.0005249300000000,  0.0014125800000000 ]  - [  -0.0146237300000000,  0.0090831500000000,  0.0051085300000000 ]  - [  -0.0001049500000000, -0.0006020300000000,  0.0029869000000000 ]  - [   0.0000000000000000, -0.0001568800000000,  0.0008947900000000 ]  - [   0.0001049500000000, -0.0006020300000000,  0.0029869000000000 ]  - [  -0.0006333700000000, -0.0008584200000000, -0.0018595000000000 ]  - [   0.0000000000000000, -0.0001101600000000, -0.0006916800000000 ]  - [   0.0006333700000000, -0.0008584200000000, -0.0018595000000000 ]  - [   0.0000000000000000, -0.0018180400000000, -0.0062815800000000 ]  - [   0.0001953600000000, -0.0003316600000000, -0.0015095200000000 ]  - [  -0.0001953600000000, -0.0003316600000000, -0.0015095200000000 ]  - [   0.0000000000000000, -0.0233048900000000,  0.0105682200000000 ]  - [   0.0016058900000000, -0.0008329800000000,  0.0016607700000000 ]  - [  -0.0016058900000000, -0.0008329800000000,  0.0016607700000000 ]  - [   0.0000000000000000,  0.0130075100000000, -0.0478638500000000 ]  - [   0.0046370500000000, -0.0001826600000000, -0.0018597400000000 ]  - [  -0.0046370500000000, -0.0001826600000000, -0.0018597400000000 ]  - [  -0.0218359700000000, -0.0126937900000000, -0.0018281100000000 ]  - [   0.0000000000000000, -0.0014237400000000,  0.0004032100000000 ]  - [   0.0218359700000000, -0.0126937900000000, -0.0018281100000000 ]  - [   0.0009798000000000, -0.0000872300000000, -0.0025257800000000 ]  - [   0.0000000000000000,  0.0000752400000000, -0.0005203800000000 ]  - [  -0.0009798000000000, -0.0000872300000000, -0.0025257800000000 ]  - [   0.0000000000000000,  0.0110932800000000, -0.0035369900000000 ]  - [  -0.0013178800000000,  0.0002967700000000,  0.0004530400000000 ]  - [   0.0013178800000000,  0.0002967700000000,  0.0004530400000000 ]  - [   0.0000000000000000,  0.0030697400000000,  0.0121494900000000 ]  - [  -0.0003871300000000,  0.0005530700000000,  0.0018131700000000 ]  - [   0.0003871300000000,  0.0005530700000000,  0.0018131700000000 ]  - [   0.0000000000000000, -0.0011038600000000, -0.0160536100000000 ]  - [  -0.0021290000000000,  0.0009272100000000, -0.0015738100000000 ]  - [   0.0021290000000000,  0.0009272100000000, -0.0015738100000000 ]  - [   0.0000000000000000, -0.0117411400000000, -0.0353685300000000 ]  - [  -0.0015679600000000,  0.0001473200000000, -0.0010300600000000 ]  - [   0.0015679600000000,  0.0001473200000000, -0.0010300600000000 ]  - [   0.0000000000000000, -0.0025760700000000,  0.0086840400000000 ]  - [  -0.0004951900000000, -0.0003186100000000,  0.0022696200000000 ]  - [   0.0004951900000000, -0.0003186100000000,  0.0022696200000000 ]  - [   0.0000000000000000,  0.0058678400000000, -0.0030314600000000 ]  - [   0.0031379600000000, -0.0010035100000000, -0.0003753100000000 ]  - [  -0.0031379600000000, -0.0010035100000000, -0.0003753100000000 ]  - [   0.0008136900000000,  0.0026342700000000, -0.0052350200000000 ]  - [   0.0000000000000000,  0.0005164600000000, -0.0011241800000000 ]  - [  -0.0008136900000000,  0.0026342700000000, -0.0052350200000000 ]  - [  -0.0068104500000000, -0.0026502500000000,  0.0039039100000000 ]  - [   0.0000000000000000, -0.0011227900000000,  0.0004309500000000 ]  - [   0.0068104500000000, -0.0026502500000000,  0.0039039100000000 ]  - [  -0.0039259100000000, -0.0020113000000000, -0.0145745900000000 ]  - [   0.0000000000000000,  0.0005789600000000, -0.0010583600000000 ]  - [   0.0039259100000000, -0.0020113000000000, -0.0145745900000000 ]  - [   0.0011097300000000,  0.0023481300000000,  0.0030686900000000 ]  - [   0.0000000000000000,  0.0003964500000000,  0.0007883100000000 ]  - [  -0.0011097300000000,  0.0023481300000000,  0.0030686900000000 ]  - [   0.0037508500000000,  0.0007101200000000,  0.0046369200000000 ]  - [   0.0000000000000000,  0.0005437300000000,  0.0007154600000000 ]  - [  -0.0037508500000000,  0.0007101200000000,  0.0046369200000000 ]  - [  -0.0001512700000000,  0.0002144700000000,  0.0015516700000000 ]  - [   0.0000000000000000,  0.0000198300000000,  0.0004494700000000 ]  - [   0.0001512700000000,  0.0002144700000000,  0.0015516700000000 ]  - [  -0.0021342200000000,  0.0019238400000000, -0.0008386700000000 ]  - [   0.0000000000000000,  0.0002376200000000, -0.0004230900000000 ]  - [   0.0021342200000000,  0.0019238400000000, -0.0008386700000000 ]  - [  -0.0006716400000000, -0.0016534000000000, -0.0001780800000000 ]  - [   0.0000000000000000, -0.0002157900000000, -0.0001528500000000 ]  - [   0.0006716400000000, -0.0016534000000000, -0.0001780800000000 ]  - [  -0.0000942000000000,  0.0000586200000000,  0.0016155400000000 ]  - [   0.0000000000000000, -0.0000894500000000,  0.0007030900000000 ]  - [   0.0000942000000000,  0.0000586200000000,  0.0016155400000000 ]  - [   0.0015670400000000, -0.0010676500000000, -0.0001455100000000 ]  - [   0.0000000000000000, -0.0001571000000000, -0.0001511800000000 ]  - [  -0.0015670400000000, -0.0010676500000000, -0.0001455100000000 ]  - [   0.0000000000000000,  0.0094484900000000, -0.0168540700000000 ]  - [   0.0004978500000000, -0.0004740200000000, -0.0013138500000000 ]  - [  -0.0004978500000000, -0.0004740200000000, -0.0013138500000000 ]  - [   0.0000000000000000,  0.0004732000000000,  0.0010478100000000 ]  - [  -0.0005817000000000, -0.0002940700000000,  0.0003965400000000 ]  - [   0.0005817000000000, -0.0002940700000000,  0.0003965400000000 ]  - [   0.0000000000000000, -0.0009334300000000, -0.0039042100000000 ]  - [   0.0000700800000000,  0.0001613900000000, -0.0008027100000000 ]  - [  -0.0000700800000000,  0.0001613900000000, -0.0008027100000000 ]  - [   0.0000000000000000, -0.0046190800000000,  0.0053534300000000 ]  - [   0.0004560100000000, -0.0004753500000000,  0.0006943100000000 ]  - [  -0.0004560100000000, -0.0004753500000000,  0.0006943100000000 ]  - [   0.0000000000000000, -0.0008439800000000,  0.0016850800000000 ]  - [   0.0003869000000000,  0.0003071200000000,  0.0003465300000000 ]  - [  -0.0003869000000000,  0.0003071200000000,  0.0003465300000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0089559900000000, -0.0000439900000000, -0.0000656700000000 ]  - [   0.0031736300000000, -0.0004019400000000,  0.0046355500000000 ]  - [   0.0031850300000000,  0.0004328300000000, -0.0045964400000000 ]  - [  -0.0089559900000000, -0.0000439900000000,  0.0000656700000000 ]  - [   0.0031736300000000, -0.0004019400000000, -0.0046355500000000 ]  - [   0.0031850300000000,  0.0004328300000000,  0.0045964400000000 ]  - [  -0.0010595800000000,  0.0166169100000000, -0.0219759500000000 ]  - [   0.0084358300000000, -0.0000131700000000,  0.0000018300000000 ]  - [  -0.0011016100000000, -0.0164878900000000,  0.0218122800000000 ]  - [  -0.0010595800000000,  0.0166169100000000,  0.0219759500000000 ]  - [   0.0084358300000000, -0.0000131700000000, -0.0000018300000000 ]  - [  -0.0011016100000000, -0.0164878900000000, -0.0218122800000000 ]  - [  -0.0010749800000000,  0.0019787900000000,  0.0009821300000000 ]  - [   0.0021282300000000,  0.0000271400000000,  0.0000078100000000 ]  - [  -0.0010597200000000, -0.0019078200000000, -0.0009736200000000 ]  - [  -0.0010749800000000,  0.0019787900000000, -0.0009821300000000 ]  - [   0.0021282300000000,  0.0000271400000000, -0.0000078100000000 ]  - [  -0.0010597200000000, -0.0019078200000000,  0.0009736200000000 ]  - [  -0.0040173400000000,  0.0000775100000000,  0.0000385800000000 ]  - [   0.0017725000000000, -0.0041789900000000, -0.0013093900000000 ]  - [   0.0017989900000000,  0.0041096000000000,  0.0013176100000000 ]  - [  -0.0040173400000000,  0.0000775100000000, -0.0000385800000000 ]  - [   0.0017725000000000, -0.0041789900000000,  0.0013093900000000 ]  - [   0.0017989900000000,  0.0041096000000000, -0.0013176100000000 ]  - [  -0.1700569700000000, -0.0014217900000000,  0.0000000000000000 ]  - [   0.0433354800000000, -0.0054998400000000,  0.0000000000000000 ]  - [   0.0430625000000000,  0.0060802800000000,  0.0000000000000000 ]  - [  -0.0019968700000000, -0.0009477800000000,  0.0000000000000000 ]  - [   0.0039344000000000, -0.0002846900000000,  0.0000000000000000 ]  - [  -0.0019782500000000,  0.0003551300000000,  0.0000000000000000 ]  - [  -0.0016385700000000,  0.0034367700000000,  0.0000000000000000 ]  - [   0.0032548300000000,  0.0002931900000000,  0.0000000000000000 ]  - [  -0.0016090900000000, -0.0028183700000000,  0.0000000000000000 ]  - [  -0.0022583500000000, -0.0002629000000000,  0.0000000000000000 ]  - [   0.0011244800000000, -0.0017410700000000,  0.0000000000000000 ]  - [   0.0011396100000000,  0.0011604800000000,  0.0000000000000000 ]  - [   0.0182110800000000,  0.0001577300000000,  0.0000245000000000 ]  - [  -0.0038138300000000,  0.0050212700000000,  0.0050531600000000 ]  - [  -0.0037930800000000, -0.0050824000000000, -0.0052244000000000 ]  - [   0.0239514900000000, -0.0002785600000000, -0.0004669800000000 ]  - [  -0.0087925900000000, -0.0031983300000000, -0.0065705800000000 ]  - [  -0.0087669000000000,  0.0028803300000000,  0.0062493000000000 ]  - [   0.0182110800000000,  0.0001577300000000, -0.0000245000000000 ]  - [  -0.0038138300000000,  0.0050212700000000, -0.0050531600000000 ]  - [  -0.0037930800000000, -0.0050824000000000,  0.0052244000000000 ]  - [   0.0239514900000000, -0.0002785600000000,  0.0004669800000000 ]  - [  -0.0087925900000000, -0.0031983300000000,  0.0065705800000000 ]  - [  -0.0087669000000000,  0.0028803300000000, -0.0062493000000000 ]  - [   0.0041278500000000,  0.0002042700000000,  0.0000000000000000 ]  - [  -0.0020736100000000, -0.0006657700000000,  0.0000000000000000 ]  - [  -0.0020815600000000,  0.0010344300000000,  0.0000000000000000 ]  - [   0.0004668600000000, -0.0018138700000000, -0.0030432600000000 ]  - [  -0.0009860200000000,  0.0000405200000000, -0.0000990500000000 ]  - [   0.0004693500000000,  0.0018878700000000,  0.0028291500000000 ]  - [   0.0326069900000000,  0.0029988800000000,  0.0000000000000000 ]  - [  -0.0171328700000000, -0.0001888000000000,  0.0000000000000000 ]  - [   0.0285051700000000, -0.0021612400000000,  0.0000000000000000 ]  - [   0.0020395900000000,  0.0009131400000000, -0.0025968400000000 ]  - [  -0.0041375700000000,  0.0001534100000000,  0.0001472800000000 ]  - [   0.0020044700000000, -0.0005825000000000,  0.0028904800000000 ]  - [   0.0004668600000000, -0.0018138700000000,  0.0030432600000000 ]  - [  -0.0009860200000000,  0.0000405200000000,  0.0000990500000000 ]  - [   0.0004693500000000,  0.0018878700000000, -0.0028291500000000 ]  - [   0.0020395900000000,  0.0009131400000000,  0.0025968400000000 ]  - [  -0.0041375700000000,  0.0001534100000000, -0.0001472800000000 ]  - [   0.0020044700000000, -0.0005825000000000, -0.0028904800000000 ]  - [   0.0004675100000000, -0.0041642100000000,  0.0000549700000000 ]  - [  -0.0010317200000000, -0.0000514200000000, -0.0000985600000000 ]  - [   0.0004627500000000,  0.0040417500000000, -0.0002547200000000 ]  - [   0.0013248500000000, -0.0004845000000000, -0.0007058400000000 ]  - [  -0.0026640200000000, -0.0001527900000000, -0.0001514600000000 ]  - [   0.0012828700000000,  0.0001529400000000,  0.0004013800000000 ]  - [   0.0004675100000000, -0.0041642100000000, -0.0000549700000000 ]  - [  -0.0010317200000000, -0.0000514200000000,  0.0000985600000000 ]  - [   0.0004627500000000,  0.0040417500000000,  0.0002547200000000 ]  - [   0.0013248500000000, -0.0004845000000000,  0.0007058400000000 ]  - [  -0.0026640200000000, -0.0001527900000000,  0.0001514600000000 ]  - [   0.0012828700000000,  0.0001529400000000, -0.0004013800000000 ]  - [   0.0010301400000000, -0.0004171300000000,  0.0000000000000000 ]  - [  -0.0020411100000000,  0.0001836700000000,  0.0000000000000000 ]  - [   0.0010097100000000,  0.0007802800000000,  0.0000000000000000 ]  - [   0.0007026500000000,  0.0000356300000000, -0.0000767200000000 ]  - [  -0.0003839800000000,  0.0014276800000000, -0.0012314200000000 ]  - [  -0.0003902800000000, -0.0013277400000000,  0.0010315200000000 ]  - [   0.0031971000000000, -0.0002038000000000,  0.0000000000000000 ]  - [  -0.0015709600000000,  0.0004240200000000,  0.0000000000000000 ]  - [  -0.0015867200000000, -0.0007937300000000,  0.0000000000000000 ]  - [   0.0021045700000000,  0.0001378300000000,  0.0001551200000000 ]  - [  -0.0010478600000000,  0.0007070700000000, -0.0001455700000000 ]  - [  -0.0010568800000000, -0.0004020600000000,  0.0004470400000000 ]  - [   0.0007026500000000,  0.0000356300000000,  0.0000767200000000 ]  - [  -0.0003839800000000,  0.0014276800000000,  0.0012314200000000 ]  - [  -0.0003902800000000, -0.0013277400000000, -0.0010315200000000 ]  - [   0.0021045700000000,  0.0001378300000000, -0.0001551200000000 ]  - [  -0.0010478600000000,  0.0007070700000000,  0.0001455700000000 ]  - [  -0.0010568800000000, -0.0004020600000000, -0.0004470400000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0308365500000000, -0.0126325700000000 ]  - [  -0.0009222500000000, -0.0031649500000000,  0.0004665800000000 ]  - [   0.0009222500000000, -0.0031649500000000,  0.0004665800000000 ]  - [   0.0000000000000000, -0.0308365500000000,  0.0126325700000000 ]  - [  -0.0009222500000000, -0.0031649500000000, -0.0004665800000000 ]  - [   0.0009222500000000, -0.0031649500000000, -0.0004665800000000 ]  - [   0.0203129800000000,  0.0089231800000000, -0.0124722100000000 ]  - [   0.0000000000000000,  0.0016200000000000, -0.0011231800000000 ]  - [  -0.0203129800000000,  0.0089231800000000, -0.0124722100000000 ]  - [   0.0203129800000000,  0.0089231800000000,  0.0124722100000000 ]  - [   0.0000000000000000,  0.0016200000000000,  0.0011231800000000 ]  - [  -0.0203129800000000,  0.0089231800000000,  0.0124722100000000 ]  - [  -0.0014556200000000,  0.0056737800000000,  0.0003862100000000 ]  - [   0.0000000000000000,  0.0018171700000000,  0.0002187400000000 ]  - [   0.0014556200000000,  0.0056737800000000,  0.0003862100000000 ]  - [  -0.0014556200000000,  0.0056737800000000, -0.0003862100000000 ]  - [   0.0000000000000000,  0.0018171700000000, -0.0002187400000000 ]  - [   0.0014556200000000,  0.0056737800000000, -0.0003862100000000 ]  - [   0.0000000000000000,  0.0280327400000000,  0.0113031100000000 ]  - [  -0.0035294800000000, -0.0003834800000000,  0.0005858400000000 ]  - [   0.0035294800000000, -0.0003834800000000,  0.0005858400000000 ]  - [   0.0000000000000000,  0.0280327400000000, -0.0113031100000000 ]  - [  -0.0035294800000000, -0.0003834800000000, -0.0005858400000000 ]  - [   0.0035294800000000, -0.0003834800000000, -0.0005858400000000 ]  - [   0.0000000000000000, -0.2443643600000000,  0.0000000000000000 ]  - [   0.0057627500000000, -0.0068113200000000,  0.0000000000000000 ]  - [  -0.0057627500000000, -0.0068113200000000,  0.0000000000000000 ]  - [  -0.0006545200000000, -0.0029502900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002938700000000,  0.0000000000000000 ]  - [   0.0006545200000000, -0.0029502900000000,  0.0000000000000000 ]  - [  -0.0031141400000000,  0.0113328400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0027531000000000,  0.0000000000000000 ]  - [   0.0031141400000000,  0.0113328400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0053219700000000,  0.0000000000000000 ]  - [  -0.0014476300000000, -0.0001510900000000,  0.0000000000000000 ]  - [   0.0014476300000000, -0.0001510900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0629543800000000,  0.0366936300000000 ]  - [   0.0016049700000000,  0.0040411000000000,  0.0014502200000000 ]  - [  -0.0016049700000000,  0.0040411000000000,  0.0014502200000000 ]  - [   0.0000000000000000,  0.0216329000000000, -0.0023908700000000 ]  - [  -0.0036801900000000,  0.0015626700000000, -0.0011310100000000 ]  - [   0.0036801900000000,  0.0015626700000000, -0.0011310100000000 ]  - [   0.0000000000000000,  0.0629543800000000, -0.0366936300000000 ]  - [   0.0016049700000000,  0.0040411000000000, -0.0014502200000000 ]  - [  -0.0016049700000000,  0.0040411000000000, -0.0014502200000000 ]  - [   0.0000000000000000,  0.0216329000000000,  0.0023908700000000 ]  - [  -0.0036801900000000,  0.0015626700000000,  0.0011310100000000 ]  - [   0.0036801900000000,  0.0015626700000000,  0.0011310100000000 ]  - [   0.0000000000000000,  0.0053140900000000,  0.0000000000000000 ]  - [  -0.0001157200000000,  0.0005104300000000,  0.0000000000000000 ]  - [   0.0001157200000000,  0.0005104300000000,  0.0000000000000000 ]  - [  -0.0005744300000000, -0.0020273700000000, -0.0027865800000000 ]  - [   0.0000000000000000, -0.0008699200000000, -0.0003967500000000 ]  - [   0.0005744300000000, -0.0020273700000000, -0.0027865800000000 ]  - [   0.0084093700000000,  0.0282259700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0013585000000000,  0.0000000000000000 ]  - [  -0.0084093700000000,  0.0282259700000000,  0.0000000000000000 ]  - [   0.0010222200000000,  0.0051013500000000, -0.0017675600000000 ]  - [   0.0000000000000000,  0.0007795000000000, -0.0003775800000000 ]  - [  -0.0010222200000000,  0.0051013500000000, -0.0017675600000000 ]  - [  -0.0005744300000000, -0.0020273700000000,  0.0027865800000000 ]  - [   0.0000000000000000, -0.0008699200000000,  0.0003967500000000 ]  - [   0.0005744300000000, -0.0020273700000000,  0.0027865800000000 ]  - [   0.0010222200000000,  0.0051013500000000,  0.0017675600000000 ]  - [   0.0000000000000000,  0.0007795000000000,  0.0003775800000000 ]  - [  -0.0010222200000000,  0.0051013500000000,  0.0017675600000000 ]  - [  -0.0008914800000000, -0.0077374500000000, -0.0009680300000000 ]  - [   0.0000000000000000, -0.0019211800000000, -0.0004439600000000 ]  - [   0.0008914800000000, -0.0077374500000000, -0.0009680300000000 ]  - [   0.0051569700000000, -0.0053993700000000, -0.0003606900000000 ]  - [   0.0000000000000000, -0.0009232100000000, -0.0002953700000000 ]  - [  -0.0051569700000000, -0.0053993700000000, -0.0003606900000000 ]  - [  -0.0008914800000000, -0.0077374500000000,  0.0009680300000000 ]  - [   0.0000000000000000, -0.0019211800000000,  0.0004439600000000 ]  - [   0.0008914800000000, -0.0077374500000000,  0.0009680300000000 ]  - [   0.0051569700000000, -0.0053993700000000,  0.0003606900000000 ]  - [   0.0000000000000000, -0.0009232100000000,  0.0002953700000000 ]  - [  -0.0051569700000000, -0.0053993700000000,  0.0003606900000000 ]  - [   0.0022080300000000, -0.0010457900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003236900000000,  0.0000000000000000 ]  - [  -0.0022080300000000, -0.0010457900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000791900000000,  0.0065657400000000 ]  - [   0.0006122000000000,  0.0010442300000000, -0.0000513700000000 ]  - [  -0.0006122000000000,  0.0010442300000000, -0.0000513700000000 ]  - [   0.0000000000000000, -0.0069294800000000,  0.0000000000000000 ]  - [   0.0012774900000000, -0.0011025500000000,  0.0000000000000000 ]  - [  -0.0012774900000000, -0.0011025500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0045417500000000,  0.0018902700000000 ]  - [   0.0006224800000000, -0.0005000600000000,  0.0001987100000000 ]  - [  -0.0006224800000000, -0.0005000600000000,  0.0001987100000000 ]  - [   0.0000000000000000, -0.0000791900000000, -0.0065657400000000 ]  - [   0.0006122000000000,  0.0010442300000000,  0.0000513700000000 ]  - [  -0.0006122000000000,  0.0010442300000000,  0.0000513700000000 ]  - [   0.0000000000000000, -0.0045417500000000, -0.0018902700000000 ]  - [   0.0006224800000000, -0.0005000600000000, -0.0001987100000000 ]  - [  -0.0006224800000000, -0.0005000600000000, -0.0001987100000000 ]- atom:   25  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0309575700000000,  0.0126676700000000 ]  - [   0.0009200700000000,  0.0032199700000000, -0.0004633100000000 ]  - [  -0.0009200700000000,  0.0032199700000000, -0.0004633100000000 ]  - [   0.0000000000000000,  0.0309575700000000, -0.0126676700000000 ]  - [   0.0009200700000000,  0.0032199700000000,  0.0004633100000000 ]  - [  -0.0009200700000000,  0.0032199700000000,  0.0004633100000000 ]  - [  -0.0202064300000000, -0.0089974500000000,  0.0123973700000000 ]  - [   0.0000000000000000, -0.0016777900000000,  0.0011466300000000 ]  - [   0.0202064300000000, -0.0089974500000000,  0.0123973700000000 ]  - [  -0.0202064300000000, -0.0089974500000000, -0.0123973700000000 ]  - [   0.0000000000000000, -0.0016777900000000, -0.0011466300000000 ]  - [   0.0202064300000000, -0.0089974500000000, -0.0123973700000000 ]  - [   0.0014638000000000, -0.0056464900000000, -0.0003606500000000 ]  - [   0.0000000000000000, -0.0017822100000000, -0.0002050000000000 ]  - [  -0.0014638000000000, -0.0056464900000000, -0.0003606500000000 ]  - [   0.0014638000000000, -0.0056464900000000,  0.0003606500000000 ]  - [   0.0000000000000000, -0.0017822100000000,  0.0002050000000000 ]  - [  -0.0014638000000000, -0.0056464900000000,  0.0003606500000000 ]  - [   0.0000000000000000, -0.0281883200000000, -0.0114076800000000 ]  - [   0.0035477100000000,  0.0003563200000000, -0.0005768900000000 ]  - [  -0.0035477100000000,  0.0003563200000000, -0.0005768900000000 ]  - [   0.0000000000000000, -0.0281883200000000,  0.0114076800000000 ]  - [   0.0035477100000000,  0.0003563200000000,  0.0005768900000000 ]  - [  -0.0035477100000000,  0.0003563200000000,  0.0005768900000000 ]  - [   0.0000000000000000,  0.2481498600000000,  0.0000000000000000 ]  - [  -0.0058198600000000,  0.0074272600000000,  0.0000000000000000 ]  - [   0.0058198600000000,  0.0074272600000000,  0.0000000000000000 ]  - [   0.0006484700000000,  0.0023665600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002832300000000,  0.0000000000000000 ]  - [  -0.0006484700000000,  0.0023665600000000,  0.0000000000000000 ]  - [   0.0031410200000000, -0.0107758800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0021904700000000,  0.0000000000000000 ]  - [  -0.0031410200000000, -0.0107758800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0058905900000000,  0.0000000000000000 ]  - [   0.0014541000000000, -0.0004156800000000,  0.0000000000000000 ]  - [  -0.0014541000000000, -0.0004156800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0652935300000000, -0.0397168400000000 ]  - [  -0.0016131400000000, -0.0041629900000000, -0.0016630200000000 ]  - [   0.0016131400000000, -0.0041629900000000, -0.0016630200000000 ]  - [   0.0000000000000000, -0.0212356800000000,  0.0029898200000000 ]  - [   0.0036897000000000, -0.0018575000000000,  0.0008483100000000 ]  - [  -0.0036897000000000, -0.0018575000000000,  0.0008483100000000 ]  - [   0.0000000000000000, -0.0652935300000000,  0.0397168400000000 ]  - [  -0.0016131400000000, -0.0041629900000000,  0.0016630200000000 ]  - [   0.0016131400000000, -0.0041629900000000,  0.0016630200000000 ]  - [   0.0000000000000000, -0.0212356800000000, -0.0029898200000000 ]  - [   0.0036897000000000, -0.0018575000000000, -0.0008483100000000 ]  - [  -0.0036897000000000, -0.0018575000000000, -0.0008483100000000 ]  - [   0.0000000000000000, -0.0049421500000000,  0.0000000000000000 ]  - [   0.0001148800000000, -0.0001385900000000,  0.0000000000000000 ]  - [  -0.0001148800000000, -0.0001385900000000,  0.0000000000000000 ]  - [   0.0005749900000000,  0.0021332200000000,  0.0025928700000000 ]  - [   0.0000000000000000,  0.0009665400000000,  0.0002039900000000 ]  - [  -0.0005749900000000,  0.0021332200000000,  0.0025928700000000 ]  - [  -0.0079581700000000, -0.0286389500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010163700000000,  0.0000000000000000 ]  - [   0.0079581700000000, -0.0286389500000000,  0.0000000000000000 ]  - [  -0.0010236200000000, -0.0047969600000000,  0.0020746400000000 ]  - [   0.0000000000000000, -0.0004746800000000,  0.0006842900000000 ]  - [   0.0010236200000000, -0.0047969600000000,  0.0020746400000000 ]  - [   0.0005749900000000,  0.0021332200000000, -0.0025928700000000 ]  - [   0.0000000000000000,  0.0009665400000000, -0.0002039900000000 ]  - [  -0.0005749900000000,  0.0021332200000000, -0.0025928700000000 ]  - [  -0.0010236200000000, -0.0047969600000000, -0.0020746400000000 ]  - [   0.0000000000000000, -0.0004746800000000, -0.0006842900000000 ]  - [   0.0010236200000000, -0.0047969600000000, -0.0020746400000000 ]  - [   0.0008812100000000,  0.0076604500000000,  0.0007876400000000 ]  - [   0.0000000000000000,  0.0018442700000000,  0.0002523600000000 ]  - [  -0.0008812100000000,  0.0076604500000000,  0.0007876400000000 ]  - [  -0.0051821500000000,  0.0051092100000000,  0.0000500700000000 ]  - [   0.0000000000000000,  0.0006190600000000, -0.0000081700000000 ]  - [   0.0051821500000000,  0.0051092100000000,  0.0000500700000000 ]  - [   0.0008812100000000,  0.0076604500000000, -0.0007876400000000 ]  - [   0.0000000000000000,  0.0018442700000000, -0.0002523600000000 ]  - [  -0.0008812100000000,  0.0076604500000000, -0.0007876400000000 ]  - [  -0.0051821500000000,  0.0051092100000000, -0.0000500700000000 ]  - [   0.0000000000000000,  0.0006190600000000,  0.0000081700000000 ]  - [   0.0051821500000000,  0.0051092100000000, -0.0000500700000000 ]  - [  -0.0022158500000000,  0.0014149100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006952600000000,  0.0000000000000000 ]  - [   0.0022158500000000,  0.0014149100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001472400000000, -0.0067706800000000 ]  - [  -0.0006134600000000, -0.0009644900000000, -0.0001412700000000 ]  - [   0.0006134600000000, -0.0009644900000000, -0.0001412700000000 ]  - [   0.0000000000000000,  0.0065862400000000,  0.0000000000000000 ]  - [  -0.0012915500000000,  0.0007304500000000,  0.0000000000000000 ]  - [   0.0012915500000000,  0.0007304500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0048597600000000, -0.0016073900000000 ]  - [  -0.0006286100000000,  0.0008052300000000,  0.0001017300000000 ]  - [   0.0006286100000000,  0.0008052300000000,  0.0001017300000000 ]  - [   0.0000000000000000,  0.0001472400000000,  0.0067706800000000 ]  - [  -0.0006134600000000, -0.0009644900000000,  0.0001412700000000 ]  - [   0.0006134600000000, -0.0009644900000000,  0.0001412700000000 ]  - [   0.0000000000000000,  0.0048597600000000,  0.0016073900000000 ]  - [  -0.0006286100000000,  0.0008052300000000, -0.0001017300000000 ]  - [   0.0006286100000000,  0.0008052300000000, -0.0001017300000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0021599200000000,  0.0478355800000000 ]  - [   0.0046390500000000, -0.0010324200000000,  0.0018639700000000 ]  - [  -0.0046390500000000, -0.0010324200000000,  0.0018639700000000 ]  - [   0.0000000000000000,  0.0020380800000000,  0.0472037100000000 ]  - [  -0.0046135400000000,  0.0010608600000000,  0.0018754000000000 ]  - [   0.0046135400000000,  0.0010608600000000,  0.0018754000000000 ]  - [  -0.0262971600000000, -0.0132044900000000,  0.0018175600000000 ]  - [   0.0000000000000000, -0.0011935800000000, -0.0003993000000000 ]  - [   0.0262971600000000, -0.0132044900000000,  0.0018175600000000 ]  - [   0.0264681400000000,  0.0132563400000000,  0.0017520200000000 ]  - [   0.0000000000000000,  0.0011450200000000, -0.0004286500000000 ]  - [  -0.0264681400000000,  0.0132563400000000,  0.0017520200000000 ]  - [   0.0018013100000000,  0.0007170200000000,  0.0025340500000000 ]  - [   0.0000000000000000, -0.0000378300000000,  0.0005277400000000 ]  - [  -0.0018013100000000,  0.0007170200000000,  0.0025340500000000 ]  - [  -0.0018002200000000, -0.0006609200000000,  0.0025273800000000 ]  - [   0.0000000000000000,  0.0000829300000000,  0.0005184300000000 ]  - [   0.0018002200000000, -0.0006609200000000,  0.0025273800000000 ]  - [   0.0000000000000000,  0.0276733200000000,  0.0034685100000000 ]  - [  -0.0028769500000000,  0.0009319400000000, -0.0004508300000000 ]  - [   0.0028769500000000,  0.0009319400000000, -0.0004508300000000 ]  - [   0.0000000000000000, -0.0277887100000000,  0.0034197800000000 ]  - [   0.0028734600000000, -0.0009638300000000, -0.0004760400000000 ]  - [  -0.0028734600000000, -0.0009638300000000, -0.0004760400000000 ]  - [   0.0000000000000000,  0.0016631900000000, -0.2713814200000000 ]  - [  -0.0000557800000000,  0.0002878300000000, -0.0081747300000000 ]  - [   0.0000557800000000,  0.0002878300000000, -0.0081747300000000 ]  - [   0.0000095300000000, -0.0002676200000000,  0.0168868700000000 ]  - [   0.0000000000000000, -0.0002830500000000,  0.0036218800000000 ]  - [  -0.0000095300000000, -0.0002676200000000,  0.0168868700000000 ]  - [  -0.0000025700000000,  0.0002986200000000, -0.0121210100000000 ]  - [   0.0000000000000000,  0.0002881900000000, -0.0028458700000000 ]  - [   0.0000025700000000,  0.0002986200000000, -0.0121210100000000 ]  - [   0.0000000000000000, -0.0003054000000000,  0.0181747700000000 ]  - [   0.0000023300000000, -0.0002879500000000,  0.0044001300000000 ]  - [  -0.0000023300000000, -0.0002879500000000,  0.0044001300000000 ]  - [   0.0000000000000000,  0.0274332700000000,  0.0488172400000000 ]  - [   0.0016550400000000,  0.0005344900000000,  0.0021268900000000 ]  - [  -0.0016550400000000,  0.0005344900000000,  0.0021268900000000 ]  - [   0.0000000000000000,  0.0031077800000000,  0.0256547900000000 ]  - [  -0.0039961900000000,  0.0025353300000000,  0.0029695700000000 ]  - [   0.0039961900000000,  0.0025353300000000,  0.0029695700000000 ]  - [   0.0000000000000000, -0.0301203200000000,  0.0513016300000000 ]  - [  -0.0016483200000000, -0.0006386600000000,  0.0023514000000000 ]  - [   0.0016483200000000, -0.0006386600000000,  0.0023514000000000 ]  - [   0.0000000000000000, -0.0020688400000000,  0.0240029600000000 ]  - [   0.0039893400000000, -0.0028211900000000,  0.0032370500000000 ]  - [  -0.0039893400000000, -0.0028211900000000,  0.0032370500000000 ]  - [   0.0000000000000000,  0.0001812700000000, -0.0111205300000000 ]  - [  -0.0000096700000000,  0.0001859800000000, -0.0031279400000000 ]  - [   0.0000096700000000,  0.0001859800000000, -0.0031279400000000 ]  - [  -0.0010809700000000, -0.0002897500000000, -0.0058294100000000 ]  - [   0.0000000000000000,  0.0002475500000000, -0.0011908300000000 ]  - [   0.0010809700000000, -0.0002897500000000, -0.0058294100000000 ]  - [  -0.0000680100000000, -0.0002422400000000,  0.0251276800000000 ]  - [   0.0000000000000000, -0.0001697900000000,  0.0023386200000000 ]  - [   0.0000680100000000, -0.0002422400000000,  0.0251276800000000 ]  - [  -0.0079191100000000, -0.0022715200000000, -0.0084082400000000 ]  - [   0.0000000000000000, -0.0009433100000000, -0.0013310700000000 ]  - [   0.0079191100000000, -0.0022715200000000, -0.0084082400000000 ]  - [   0.0010799800000000,  0.0003623000000000, -0.0056468600000000 ]  - [   0.0000000000000000, -0.0001601400000000, -0.0010022200000000 ]  - [  -0.0010799800000000,  0.0003623000000000, -0.0056468600000000 ]  - [   0.0078637900000000,  0.0025703900000000, -0.0086801900000000 ]  - [   0.0000000000000000,  0.0012448700000000, -0.0016398400000000 ]  - [  -0.0078637900000000,  0.0025703900000000, -0.0086801900000000 ]  - [   0.0011142600000000,  0.0054268300000000,  0.0034314700000000 ]  - [   0.0000000000000000,  0.0007431400000000,  0.0007595300000000 ]  - [  -0.0011142600000000,  0.0054268300000000,  0.0034314700000000 ]  - [  -0.0045160900000000,  0.0034252200000000,  0.0022709300000000 ]  - [   0.0000000000000000,  0.0006202100000000,  0.0006634800000000 ]  - [   0.0045160900000000,  0.0034252200000000,  0.0022709300000000 ]  - [  -0.0011168400000000, -0.0055352200000000,  0.0036350300000000 ]  - [   0.0000000000000000, -0.0008320900000000,  0.0009576100000000 ]  - [   0.0011168400000000, -0.0055352200000000,  0.0036350300000000 ]  - [   0.0045221800000000, -0.0037387100000000,  0.0025677600000000 ]  - [   0.0000000000000000, -0.0009277800000000,  0.0009627800000000 ]  - [  -0.0045221800000000, -0.0037387100000000,  0.0025677600000000 ]  - [  -0.0000022200000000,  0.0001866800000000, -0.0024216100000000 ]  - [   0.0000000000000000,  0.0001860800000000, -0.0010019200000000 ]  - [   0.0000022200000000,  0.0001866800000000, -0.0024216100000000 ]  - [   0.0000000000000000,  0.0100431300000000, -0.0131702800000000 ]  - [  -0.0006216500000000,  0.0015058900000000, -0.0018627900000000 ]  - [   0.0006216500000000,  0.0015058900000000, -0.0018627900000000 ]  - [   0.0000000000000000, -0.0001921000000000,  0.0058567100000000 ]  - [   0.0000000500000000, -0.0001869100000000,  0.0019407900000000 ]  - [  -0.0000000500000000, -0.0001869100000000,  0.0019407900000000 ]  - [   0.0000000000000000,  0.0024161000000000, -0.0055822300000000 ]  - [  -0.0008615200000000, -0.0002245200000000, -0.0011016400000000 ]  - [   0.0008615200000000, -0.0002245200000000, -0.0011016400000000 ]  - [   0.0000000000000000, -0.0098892300000000, -0.0129608500000000 ]  - [   0.0006196000000000, -0.0014122600000000, -0.0016731100000000 ]  - [  -0.0006196000000000, -0.0014122600000000, -0.0016731100000000 ]  - [   0.0000000000000000, -0.0021091900000000, -0.0059006700000000 ]  - [   0.0008586400000000,  0.0005260600000000, -0.0014066000000000 ]  - [  -0.0008586400000000,  0.0005260600000000, -0.0014066000000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006842100000000,  0.0000152200000000,  0.0000150800000000 ]  - [  -0.0003789600000000, -0.0001148000000000, -0.0003798600000000 ]  - [  -0.0003870400000000,  0.0001521200000000,  0.0003892400000000 ]  - [   0.0132940100000000, -0.0000298600000000,  0.0000881400000000 ]  - [  -0.0024646700000000, -0.0009969500000000,  0.0015680300000000 ]  - [  -0.0024481400000000,  0.0010250500000000, -0.0015612700000000 ]  - [   0.0002910500000000, -0.0024215700000000,  0.0008214800000000 ]  - [  -0.0012229200000000, -0.0000232000000000,  0.0000073800000000 ]  - [   0.0002639900000000,  0.0023595000000000, -0.0008055500000000 ]  - [   0.0006113500000000, -0.0005431300000000, -0.0011218800000000 ]  - [  -0.0010197000000000, -0.0000216600000000, -0.0000076700000000 ]  - [   0.0005718100000000,  0.0005063900000000,  0.0010989800000000 ]  - [   0.0002617200000000, -0.0001501000000000, -0.0001455700000000 ]  - [  -0.0005081800000000,  0.0000208800000000,  0.0000065500000000 ]  - [   0.0002536700000000,  0.0001952100000000,  0.0001566100000000 ]  - [   0.0003417400000000,  0.0003854000000000,  0.0006693200000000 ]  - [  -0.0007415300000000,  0.0000222000000000, -0.0000054700000000 ]  - [   0.0003242400000000, -0.0003389700000000, -0.0006740900000000 ]  - [   0.0127984700000000,  0.0001727500000000,  0.0000531800000000 ]  - [  -0.0027262700000000,  0.0020528400000000,  0.0005029100000000 ]  - [  -0.0027064700000000, -0.0020702200000000, -0.0004836700000000 ]  - [   0.0016983700000000, -0.0000309100000000, -0.0000093900000000 ]  - [  -0.0006183900000000,  0.0005736700000000, -0.0004668000000000 ]  - [  -0.0006203100000000, -0.0006100100000000,  0.0004473100000000 ]  - [   0.0182102700000000,  0.0000496900000000, -0.0001655000000000 ]  - [  -0.0038113500000000, -0.0013332700000000, -0.0016651100000000 ]  - [  -0.0037973700000000,  0.0018836000000000,  0.0016407900000000 ]  - [   0.0004789800000000, -0.0008649800000000,  0.0010894400000000 ]  - [  -0.0009859100000000, -0.0002875000000000,  0.0000013200000000 ]  - [   0.0004564200000000,  0.0002849400000000, -0.0010722100000000 ]  - [   0.0004709100000000,  0.0011800400000000, -0.0011219400000000 ]  - [  -0.0010322800000000,  0.0002885800000000, -0.0000027600000000 ]  - [   0.0004594100000000, -0.0005925100000000,  0.0011092800000000 ]  - [   0.0007026300000000, -0.0002883900000000, -0.0000067800000000 ]  - [  -0.0003839300000000,  0.0003297000000000,  0.0006252700000000 ]  - [  -0.0003905200000000, -0.0008971000000000, -0.0006163800000000 ]  - [  -0.0222106000000000,  0.0000911400000000, -0.0000408600000000 ]  - [   0.0025437100000000,  0.0004450600000000,  0.0000137000000000 ]  - [   0.0025183600000000, -0.0005264200000000, -0.0002042700000000 ]  - [   0.0002800800000000, -0.0001947700000000, -0.0002191200000000 ]  - [   0.0008187600000000,  0.0002424300000000,  0.0005481600000000 ]  - [   0.0008248400000000, -0.0005419500000000, -0.0008425300000000 ]  - [  -0.0051829600000000, -0.0000330500000000,  0.0000573700000000 ]  - [   0.0005283800000000, -0.0002152100000000,  0.0009281500000000 ]  - [   0.0005269600000000,  0.0001261800000000, -0.0007240500000000 ]  - [  -0.0066120900000000, -0.0002047600000000,  0.0001602200000000 ]  - [   0.0007784100000000,  0.0006003100000000, -0.0001117400000000 ]  - [   0.0007822600000000, -0.0008990300000000,  0.0004130500000000 ]  - [  -0.0009225000000000,  0.0001704700000000,  0.0000112600000000 ]  - [   0.0005962000000000,  0.0004886600000000, -0.0002459900000000 ]  - [   0.0006017500000000, -0.0001144200000000,  0.0002412900000000 ]  - [  -0.0000652900000000,  0.0004392200000000, -0.0000993700000000 ]  - [   0.0001887000000000,  0.0000445500000000, -0.0000972600000000 ]  - [  -0.0000603200000000, -0.0003511500000000, -0.0000984100000000 ]  - [   0.0004412700000000,  0.0044175300000000,  0.0031110200000000 ]  - [   0.0018775900000000, -0.0001828800000000,  0.0000015600000000 ]  - [   0.0004418400000000, -0.0047321200000000, -0.0030736200000000 ]  - [  -0.0003099100000000, -0.0000385900000000,  0.0001649500000000 ]  - [   0.0006779300000000,  0.0001523400000000,  0.0001513300000000 ]  - [  -0.0002939200000000,  0.0003454000000000,  0.0001340300000000 ]  - [  -0.0000742800000000,  0.0003105900000000, -0.0001199700000000 ]  - [   0.0002005400000000,  0.0000445600000000,  0.0000962900000000 ]  - [  -0.0000702500000000, -0.0002204600000000,  0.0003116800000000 ]  - [  -0.0005236500000000,  0.0019217100000000, -0.0027287000000000 ]  - [   0.0012549900000000,  0.0001552300000000, -0.0001535200000000 ]  - [  -0.0005161000000000, -0.0015882300000000,  0.0023990500000000 ]  - [  -0.0001238500000000, -0.0001543000000000, -0.0000231100000000 ]  - [   0.0002191900000000, -0.0000441900000000, -0.0000971300000000 ]  - [  -0.0001201200000000,  0.0000610000000000, -0.0001718300000000 ]  - [  -0.0002752400000000, -0.0003320300000000,  0.0002496000000000 ]  - [   0.0006253000000000, -0.0001532700000000, -0.0001505800000000 ]  - [  -0.0002678300000000,  0.0000238500000000, -0.0005482800000000 ]  - [  -0.0001097500000000, -0.0000088700000000,  0.0002980500000000 ]  - [   0.0001926500000000, -0.0000450200000000,  0.0000981900000000 ]  - [  -0.0001064300000000, -0.0000866900000000, -0.0000995600000000 ]  - [  -0.0010166900000000, -0.0032499900000000, -0.0004794400000000 ]  - [   0.0011956800000000, -0.0001555600000000,  0.0001516900000000 ]  - [  -0.0010082300000000,  0.0029103000000000,  0.0007791200000000 ]  - [  -0.0003195300000000,  0.0003071200000000, -0.0001114900000000 ]  - [   0.0006958200000000,  0.0001850800000000, -0.0000008000000000 ]  - [  -0.0003085600000000,  0.0000615000000000,  0.0001108900000000 ]  - [  -0.0000242300000000,  0.0000486700000000, -0.0000982500000000 ]  - [   0.0000819000000000, -0.0000610000000000, -0.0000928500000000 ]  - [   0.0000835000000000,  0.0001496100000000, -0.0001024600000000 ]  - [  -0.0015100200000000, -0.0001821700000000, -0.0000037200000000 ]  - [   0.0005678200000000, -0.0005326500000000,  0.0001755800000000 ]  - [   0.0005703400000000,  0.0001579100000000, -0.0001724500000000 ]  - [  -0.0005661700000000,  0.0001555300000000,  0.0001533900000000 ]  - [   0.0002616000000000, -0.0000225100000000,  0.0001159800000000 ]  - [   0.0002653900000000,  0.0003256400000000,  0.0001859500000000 ]  - [  -0.0054456200000000,  0.0000538900000000,  0.0001241300000000 ]  - [   0.0005512700000000, -0.0005003600000000, -0.0006605300000000 ]  - [   0.0005479200000000,  0.0005826200000000,  0.0008450000000000 ]  - [  -0.0004920300000000,  0.0001701300000000, -0.0001309900000000 ]  - [   0.0004310200000000, -0.0001773900000000, -0.0004136900000000 ]  - [   0.0004348900000000,  0.0004781400000000,  0.0001074700000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0055175700000000, -0.0030818300000000 ]  - [  -0.0007015000000000,  0.0018014800000000, -0.0005877800000000 ]  - [   0.0007015000000000,  0.0018014800000000, -0.0005877800000000 ]  - [   0.0000000000000000,  0.0288996200000000, -0.0115254400000000 ]  - [  -0.0011624100000000,  0.0030452100000000,  0.0001784000000000 ]  - [   0.0011624100000000,  0.0030452100000000,  0.0001784000000000 ]  - [  -0.0077684700000000, -0.0065491300000000,  0.0025947600000000 ]  - [   0.0000000000000000, -0.0017831000000000,  0.0004787200000000 ]  - [   0.0077684700000000, -0.0065491300000000,  0.0025947600000000 ]  - [  -0.0044442000000000, -0.0043477200000000, -0.0023074900000000 ]  - [   0.0000000000000000, -0.0015884500000000, -0.0003581800000000 ]  - [   0.0044442000000000, -0.0043477200000000, -0.0023074900000000 ]  - [   0.0005743600000000, -0.0026887900000000, -0.0002601800000000 ]  - [   0.0000000000000000, -0.0011981300000000, -0.0000602700000000 ]  - [  -0.0005743600000000, -0.0026887900000000, -0.0002601800000000 ]  - [   0.0038705200000000, -0.0066223100000000, -0.0016020100000000 ]  - [   0.0000000000000000, -0.0018396800000000, -0.0001764300000000 ]  - [  -0.0038705200000000, -0.0066223100000000, -0.0016020100000000 ]  - [   0.0000000000000000,  0.0523671400000000,  0.0090192500000000 ]  - [   0.0051746900000000,  0.0024358300000000, -0.0004998900000000 ]  - [  -0.0051746900000000,  0.0024358300000000, -0.0004998900000000 ]  - [   0.0000000000000000,  0.0034128800000000,  0.0046902300000000 ]  - [   0.0007099000000000,  0.0016640000000000,  0.0005154700000000 ]  - [  -0.0007099000000000,  0.0016640000000000,  0.0005154700000000 ]  - [   0.0000000000000000,  0.0656189100000000,  0.0303547000000000 ]  - [  -0.0050382400000000,  0.0043963300000000,  0.0005932900000000 ]  - [   0.0050382400000000,  0.0043963300000000,  0.0005932900000000 ]  - [  -0.0018391500000000, -0.0023409000000000,  0.0003174800000000 ]  - [   0.0000000000000000, -0.0011967700000000, -0.0002058500000000 ]  - [   0.0018391500000000, -0.0023409000000000,  0.0003174800000000 ]  - [   0.0040777400000000, -0.0073907800000000,  0.0054491200000000 ]  - [   0.0000000000000000, -0.0015906500000000,  0.0007843800000000 ]  - [  -0.0040777400000000, -0.0073907800000000,  0.0054491200000000 ]  - [   0.0000000000000000, -0.0004402100000000, -0.0099452600000000 ]  - [   0.0013743800000000,  0.0007079100000000, -0.0014557000000000 ]  - [  -0.0013743800000000,  0.0007079100000000, -0.0014557000000000 ]  - [   0.0000000000000000, -0.1917358300000000, -0.0624287000000000 ]  - [  -0.0004979500000000, -0.0037265900000000, -0.0014217900000000 ]  - [   0.0004979500000000, -0.0037265900000000, -0.0014217900000000 ]  - [   0.0000000000000000,  0.0109622700000000,  0.0182590200000000 ]  - [   0.0017676400000000, -0.0004841300000000,  0.0005745100000000 ]  - [  -0.0017676400000000, -0.0004841300000000,  0.0005745100000000 ]  - [   0.0000000000000000, -0.0142312000000000,  0.0043562200000000 ]  - [   0.0001678200000000, -0.0022073700000000,  0.0008131200000000 ]  - [  -0.0001678200000000, -0.0022073700000000,  0.0008131200000000 ]  - [   0.0000000000000000,  0.0310744500000000, -0.0068644400000000 ]  - [   0.0023740000000000, -0.0008076800000000, -0.0004344100000000 ]  - [  -0.0023740000000000, -0.0008076800000000, -0.0004344100000000 ]  - [   0.0000000000000000,  0.0025188900000000, -0.0025116700000000 ]  - [   0.0008981500000000,  0.0001025900000000, -0.0000759800000000 ]  - [  -0.0008981500000000,  0.0001025900000000, -0.0000759800000000 ]  - [   0.0003951500000000,  0.0024455600000000,  0.0002394100000000 ]  - [   0.0000000000000000,  0.0010442900000000, -0.0001481000000000 ]  - [  -0.0003951500000000,  0.0024455600000000,  0.0002394100000000 ]  - [   0.0113811100000000,  0.0026559000000000,  0.0020475500000000 ]  - [   0.0000000000000000,  0.0003194500000000, -0.0000382600000000 ]  - [  -0.0113811100000000,  0.0026559000000000,  0.0020475500000000 ]  - [   0.0011364400000000, -0.0004525600000000,  0.0009786800000000 ]  - [   0.0000000000000000,  0.0001182500000000,  0.0004085500000000 ]  - [  -0.0011364400000000, -0.0004525600000000,  0.0009786800000000 ]  - [   0.0002679200000000,  0.0039894700000000, -0.0002162100000000 ]  - [   0.0000000000000000,  0.0013855300000000,  0.0002647500000000 ]  - [  -0.0002679200000000,  0.0039894700000000, -0.0002162100000000 ]  - [   0.0035849700000000,  0.0001886600000000, -0.0022112800000000 ]  - [   0.0000000000000000,  0.0000481600000000, -0.0003544900000000 ]  - [  -0.0035849700000000,  0.0001886600000000, -0.0022112800000000 ]  - [   0.0001129900000000,  0.0058816400000000,  0.0003460300000000 ]  - [   0.0000000000000000,  0.0016332200000000,  0.0001663600000000 ]  - [  -0.0001129900000000,  0.0058816400000000,  0.0003460300000000 ]  - [  -0.0008963200000000, -0.0000429000000000, -0.0015775500000000 ]  - [   0.0000000000000000, -0.0002097500000000, -0.0005446300000000 ]  - [   0.0008963200000000, -0.0000429000000000, -0.0015775500000000 ]  - [  -0.0000365500000000,  0.0042874500000000, -0.0018223800000000 ]  - [   0.0000000000000000,  0.0014705300000000, -0.0005035800000000 ]  - [   0.0000365500000000,  0.0042874500000000, -0.0018223800000000 ]  - [  -0.0124137100000000,  0.0069581500000000, -0.0017219400000000 ]  - [   0.0000000000000000,  0.0007245100000000, -0.0001526500000000 ]  - [   0.0124137100000000,  0.0069581500000000, -0.0017219400000000 ]  - [  -0.0020633900000000,  0.0004305800000000,  0.0013329300000000 ]  - [   0.0000000000000000,  0.0004072400000000,  0.0003802200000000 ]  - [   0.0020633900000000,  0.0004305800000000,  0.0013329300000000 ]  - [   0.0000000000000000, -0.0037167800000000,  0.0034038100000000 ]  - [  -0.0001054200000000, -0.0014351900000000,  0.0006328400000000 ]  - [   0.0001054200000000, -0.0014351900000000,  0.0006328400000000 ]  - [   0.0000000000000000,  0.0057410300000000, -0.0059704500000000 ]  - [  -0.0018491000000000,  0.0000620000000000, -0.0011657000000000 ]  - [   0.0018491000000000,  0.0000620000000000, -0.0011657000000000 ]  - [   0.0000000000000000,  0.0010465500000000,  0.0019485100000000 ]  - [  -0.0003533900000000,  0.0004004200000000,  0.0004825400000000 ]  - [   0.0003533900000000,  0.0004004200000000,  0.0004825400000000 ]  - [   0.0000000000000000, -0.0063519200000000,  0.0165388300000000 ]  - [  -0.0005426100000000, -0.0016524900000000,  0.0005600000000000 ]  - [   0.0005426100000000, -0.0016524900000000,  0.0005600000000000 ]  - [   0.0000000000000000,  0.0096606900000000,  0.0117317400000000 ]  - [  -0.0014232200000000,  0.0002510000000000,  0.0007466100000000 ]  - [   0.0014232200000000,  0.0002510000000000,  0.0007466100000000 ]- atom:   37  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0054525800000000,  0.0031153300000000 ]  - [   0.0007079700000000, -0.0017644300000000,  0.0006018500000000 ]  - [  -0.0007079700000000, -0.0017644300000000,  0.0006018500000000 ]  - [   0.0000000000000000, -0.0286610900000000,  0.0107270600000000 ]  - [   0.0011993800000000, -0.0030085700000000, -0.0002020600000000 ]  - [  -0.0011993800000000, -0.0030085700000000, -0.0002020600000000 ]  - [   0.0077216700000000,  0.0065736100000000, -0.0025711200000000 ]  - [   0.0000000000000000,  0.0017575700000000, -0.0004638700000000 ]  - [  -0.0077216700000000,  0.0065736100000000, -0.0025711200000000 ]  - [   0.0044349600000000,  0.0043341700000000,  0.0022931500000000 ]  - [   0.0000000000000000,  0.0015581300000000,  0.0003452200000000 ]  - [  -0.0044349600000000,  0.0043341700000000,  0.0022931500000000 ]  - [  -0.0005776800000000,  0.0027408800000000,  0.0002688900000000 ]  - [   0.0000000000000000,  0.0012484400000000,  0.0000722800000000 ]  - [   0.0005776800000000,  0.0027408800000000,  0.0002688900000000 ]  - [  -0.0039219200000000,  0.0067109900000000,  0.0016187700000000 ]  - [   0.0000000000000000,  0.0018954500000000,  0.0001672600000000 ]  - [   0.0039219200000000,  0.0067109900000000,  0.0016187700000000 ]  - [   0.0000000000000000, -0.0561689000000000, -0.0100868500000000 ]  - [  -0.0052084300000000, -0.0025305500000000,  0.0005180600000000 ]  - [   0.0052084300000000, -0.0025305500000000,  0.0005180600000000 ]  - [   0.0000000000000000, -0.0035470800000000, -0.0047370000000000 ]  - [  -0.0007115600000000, -0.0017262700000000, -0.0005326700000000 ]  - [   0.0007115600000000, -0.0017262700000000, -0.0005326700000000 ]  - [   0.0000000000000000, -0.0626188900000000, -0.0272014500000000 ]  - [   0.0050660100000000, -0.0038071700000000, -0.0005799700000000 ]  - [  -0.0050660100000000, -0.0038071700000000, -0.0005799700000000 ]  - [   0.0018629900000000,  0.0018194300000000, -0.0003337300000000 ]  - [   0.0000000000000000,  0.0006384000000000,  0.0002030300000000 ]  - [  -0.0018629900000000,  0.0018194300000000, -0.0003337300000000 ]  - [  -0.0041284400000000,  0.0080080700000000, -0.0055139600000000 ]  - [   0.0000000000000000,  0.0021760500000000, -0.0007913400000000 ]  - [   0.0041284400000000,  0.0080080700000000, -0.0055139600000000 ]  - [   0.0000000000000000, -0.0002166900000000,  0.0099879200000000 ]  - [  -0.0013815500000000, -0.0013016900000000,  0.0014627100000000 ]  - [   0.0013815500000000, -0.0013016900000000,  0.0014627100000000 ]  - [   0.0000000000000000,  0.1922663700000000,  0.0611768500000000 ]  - [   0.0004737400000000,  0.0036537200000000,  0.0012283300000000 ]  - [  -0.0004737400000000,  0.0036537200000000,  0.0012283300000000 ]  - [   0.0000000000000000, -0.0111557300000000, -0.0184492500000000 ]  - [  -0.0017686700000000,  0.0001740300000000, -0.0008809000000000 ]  - [   0.0017686700000000,  0.0001740300000000, -0.0008809000000000 ]  - [   0.0000000000000000,  0.0141270500000000, -0.0043463900000000 ]  - [  -0.0001736100000000,  0.0021271900000000, -0.0006261000000000 ]  - [   0.0001736100000000,  0.0021271900000000, -0.0006261000000000 ]  - [   0.0000000000000000, -0.0308424700000000,  0.0070504300000000 ]  - [  -0.0023709200000000,  0.0004885600000000,  0.0007369500000000 ]  - [   0.0023709200000000,  0.0004885600000000,  0.0007369500000000 ]  - [   0.0000000000000000, -0.0021961400000000,  0.0025674800000000 ]  - [  -0.0009084000000000,  0.0002660700000000,  0.0000813100000000 ]  - [   0.0009084000000000,  0.0002660700000000,  0.0000813100000000 ]  - [  -0.0003953400000000, -0.0023779100000000, -0.0004223300000000 ]  - [   0.0000000000000000, -0.0009634700000000, -0.0000430700000000 ]  - [   0.0003953400000000, -0.0023779100000000, -0.0004223300000000 ]  - [  -0.0113733000000000, -0.0030693800000000, -0.0020588200000000 ]  - [   0.0000000000000000, -0.0006949000000000,  0.0000379000000000 ]  - [   0.0113733000000000, -0.0030693800000000, -0.0020588200000000 ]  - [  -0.0011479900000000,  0.0007512900000000, -0.0006731000000000 ]  - [   0.0000000000000000,  0.0001859300000000, -0.0001052100000000 ]  - [   0.0011479900000000,  0.0007512900000000, -0.0006731000000000 ]  - [  -0.0002632000000000, -0.0039399900000000,  0.0003940500000000 ]  - [   0.0000000000000000, -0.0013078400000000, -0.0000740200000000 ]  - [   0.0002632000000000, -0.0039399900000000,  0.0003940500000000 ]  - [  -0.0036455800000000,  0.0000565900000000,  0.0019323000000000 ]  - [   0.0000000000000000,  0.0002505300000000,  0.0000538000000000 ]  - [   0.0036455800000000,  0.0000565900000000,  0.0019323000000000 ]  - [  -0.0001021900000000, -0.0059972100000000, -0.0005402200000000 ]  - [   0.0000000000000000, -0.0017328000000000, -0.0003633600000000 ]  - [   0.0001021900000000, -0.0059972100000000, -0.0005402200000000 ]  - [   0.0009008800000000, -0.0002475100000000,  0.0012929200000000 ]  - [   0.0000000000000000, -0.0000914700000000,  0.0002478000000000 ]  - [  -0.0009008800000000, -0.0002475100000000,  0.0012929200000000 ]  - [   0.0000413500000000, -0.0043995000000000,  0.0020387800000000 ]  - [   0.0000000000000000, -0.0015691700000000,  0.0007045800000000 ]  - [  -0.0000413500000000, -0.0043995000000000,  0.0020387800000000 ]  - [   0.0125731000000000, -0.0072955900000000,  0.0020493500000000 ]  - [   0.0000000000000000, -0.0010313700000000,  0.0004554900000000 ]  - [  -0.0125731000000000, -0.0072955900000000,  0.0020493500000000 ]  - [   0.0020731600000000, -0.0000479100000000, -0.0013460800000000 ]  - [   0.0000000000000000, -0.0000338900000000, -0.0003835300000000 ]  - [  -0.0020731600000000, -0.0000479100000000, -0.0013460800000000 ]  - [   0.0000000000000000,  0.0038422300000000, -0.0036234000000000 ]  - [   0.0001051800000000,  0.0015376900000000, -0.0008313100000000 ]  - [  -0.0001051800000000,  0.0015376900000000, -0.0008313100000000 ]  - [   0.0000000000000000, -0.0061609400000000,  0.0060524200000000 ]  - [   0.0018713100000000, -0.0004274400000000,  0.0011777000000000 ]  - [  -0.0018713100000000, -0.0004274400000000,  0.0011777000000000 ]  - [   0.0000000000000000, -0.0007322800000000, -0.0016484600000000 ]  - [   0.0003561500000000, -0.0000935300000000, -0.0001803700000000 ]  - [  -0.0003561500000000, -0.0000935300000000, -0.0001803700000000 ]  - [   0.0000000000000000,  0.0066295700000000, -0.0163870100000000 ]  - [   0.0005402800000000,  0.0017657600000000, -0.0003640500000000 ]  - [  -0.0005402800000000,  0.0017657600000000, -0.0003640500000000 ]  - [   0.0000000000000000, -0.0094668800000000, -0.0122183300000000 ]  - [   0.0014394700000000,  0.0000609800000000, -0.0010595000000000 ]  - [  -0.0014394700000000,  0.0000609800000000, -0.0010595000000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0014684800000000, -0.0122240500000000 ]  - [  -0.0007795100000000,  0.0004137700000000, -0.0018997200000000 ]  - [   0.0007795100000000,  0.0004137700000000, -0.0018997200000000 ]  - [   0.0000000000000000,  0.0016858800000000,  0.0331605800000000 ]  - [   0.0034712600000000,  0.0000221900000000,  0.0010973700000000 ]  - [  -0.0034712600000000,  0.0000221900000000,  0.0010973700000000 ]  - [   0.0005332900000000,  0.0001547500000000,  0.0051393500000000 ]  - [   0.0000000000000000, -0.0003371000000000,  0.0010323800000000 ]  - [  -0.0005332900000000,  0.0001547500000000,  0.0051393500000000 ]  - [  -0.0046002700000000, -0.0037811000000000, -0.0029585100000000 ]  - [   0.0000000000000000, -0.0009513200000000, -0.0006914000000000 ]  - [   0.0046002700000000, -0.0037811000000000, -0.0029585100000000 ]  - [   0.0001550800000000, -0.0004196000000000, -0.0016384600000000 ]  - [   0.0000000000000000, -0.0002303200000000, -0.0005380900000000 ]  - [  -0.0001550800000000, -0.0004196000000000, -0.0016384600000000 ]  - [   0.0014308300000000, -0.0014127800000000,  0.0002540800000000 ]  - [   0.0000000000000000, -0.0004493800000000,  0.0002388500000000 ]  - [  -0.0014308300000000, -0.0014127800000000,  0.0002540800000000 ]  - [   0.0000000000000000,  0.0062991800000000,  0.0167177000000000 ]  - [   0.0014834600000000,  0.0003988300000000,  0.0012189000000000 ]  - [  -0.0014834600000000,  0.0003988300000000,  0.0012189000000000 ]  - [   0.0000000000000000,  0.0103872200000000, -0.0052379600000000 ]  - [  -0.0008742800000000,  0.0010039600000000, -0.0005932600000000 ]  - [   0.0008742800000000,  0.0010039600000000, -0.0005932600000000 ]  - [   0.0000000000000000,  0.0400053700000000,  0.0510649200000000 ]  - [  -0.0051386500000000,  0.0018540700000000,  0.0022496200000000 ]  - [   0.0051386500000000,  0.0018540700000000,  0.0022496200000000 ]  - [   0.0029141100000000,  0.0023840400000000, -0.0057389400000000 ]  - [   0.0000000000000000,  0.0000097200000000, -0.0010993500000000 ]  - [  -0.0029141100000000,  0.0023840400000000, -0.0057389400000000 ]  - [  -0.0001467800000000, -0.0006078700000000,  0.0035569000000000 ]  - [   0.0000000000000000, -0.0000651800000000,  0.0008621900000000 ]  - [   0.0001467800000000, -0.0006078700000000,  0.0035569000000000 ]  - [   0.0000000000000000, -0.0069161200000000, -0.0130629500000000 ]  - [   0.0011280100000000, -0.0003301700000000, -0.0017738700000000 ]  - [  -0.0011280100000000, -0.0003301700000000, -0.0017738700000000 ]  - [   0.0000000000000000, -0.0637333600000000, -0.1505314600000000 ]  - [  -0.0001186900000000, -0.0013795400000000, -0.0025228800000000 ]  - [   0.0001186900000000, -0.0013795400000000, -0.0025228800000000 ]  - [   0.0000000000000000,  0.0105902900000000,  0.0182180600000000 ]  - [   0.0016398600000000, -0.0004430000000000,  0.0005467600000000 ]  - [  -0.0016398600000000, -0.0004430000000000,  0.0005467600000000 ]  - [   0.0000000000000000, -0.0044352700000000,  0.0302530800000000 ]  - [   0.0008263700000000, -0.0007671900000000,  0.0006983100000000 ]  - [  -0.0008263700000000, -0.0007671900000000,  0.0006983100000000 ]  - [   0.0000000000000000, -0.0036062300000000, -0.0132014900000000 ]  - [   0.0002683500000000, -0.0000265800000000, -0.0020968200000000 ]  - [  -0.0002683500000000, -0.0000265800000000, -0.0020968200000000 ]  - [   0.0000000000000000, -0.0056577900000000,  0.0105117600000000 ]  - [  -0.0010104700000000,  0.0003311700000000,  0.0012019500000000 ]  - [   0.0010104700000000,  0.0003311700000000,  0.0012019500000000 ]  - [   0.0000028700000000, -0.0002783300000000,  0.0027135900000000 ]  - [   0.0000000000000000,  0.0000994100000000,  0.0005607000000000 ]  - [  -0.0000028700000000, -0.0002783300000000,  0.0027135900000000 ]  - [   0.0113060800000000,  0.0046752500000000, -0.0015595600000000 ]  - [   0.0000000000000000,  0.0006550800000000, -0.0005647200000000 ]  - [  -0.0113060800000000,  0.0046752500000000, -0.0015595600000000 ]  - [   0.0013823100000000,  0.0008782200000000,  0.0033559500000000 ]  - [   0.0000000000000000,  0.0003746100000000,  0.0011053400000000 ]  - [  -0.0013823100000000,  0.0008782200000000,  0.0033559500000000 ]  - [  -0.0002151400000000, -0.0002468200000000, -0.0001538100000000 ]  - [   0.0000000000000000,  0.0002180200000000,  0.0000040000000000 ]  - [   0.0002151400000000, -0.0002468200000000, -0.0001538100000000 ]  - [  -0.0083616000000000, -0.0052238400000000,  0.0012533400000000 ]  - [   0.0000000000000000, -0.0006038500000000, -0.0002522500000000 ]  - [   0.0083616000000000, -0.0052238400000000,  0.0012533400000000 ]  - [  -0.0000757300000000,  0.0004069600000000, -0.0011620200000000 ]  - [   0.0000000000000000,  0.0002229300000000, -0.0004346600000000 ]  - [   0.0000757300000000,  0.0004069600000000, -0.0011620200000000 ]  - [   0.0011295100000000, -0.0015413400000000, -0.0002016500000000 ]  - [   0.0000000000000000, -0.0004859600000000, -0.0002178700000000 ]  - [  -0.0011295100000000, -0.0015413400000000, -0.0002016500000000 ]  - [   0.0001989500000000,  0.0018944000000000, -0.0003896600000000 ]  - [   0.0000000000000000,  0.0005619700000000, -0.0000340300000000 ]  - [  -0.0001989500000000,  0.0018944000000000, -0.0003896600000000 ]  - [  -0.0035901000000000,  0.0015516600000000, -0.0021997700000000 ]  - [   0.0000000000000000,  0.0001695600000000, -0.0003524200000000 ]  - [   0.0035901000000000,  0.0015516600000000, -0.0021997700000000 ]  - [  -0.0016820800000000,  0.0010661100000000,  0.0010431800000000 ]  - [   0.0000000000000000,  0.0004702700000000,  0.0003449300000000 ]  - [   0.0016820800000000,  0.0010661100000000,  0.0010431800000000 ]  - [   0.0000000000000000, -0.0034813200000000,  0.0072692400000000 ]  - [  -0.0000034300000000, -0.0006906100000000,  0.0010428000000000 ]  - [   0.0000034300000000, -0.0006906100000000,  0.0010428000000000 ]  - [   0.0000000000000000, -0.0006633500000000, -0.0029793600000000 ]  - [  -0.0001001600000000, -0.0000893800000000, -0.0007228800000000 ]  - [   0.0001001600000000, -0.0000893800000000, -0.0007228800000000 ]  - [   0.0000000000000000,  0.0005727400000000,  0.0040993500000000 ]  - [  -0.0000859900000000,  0.0002073200000000,  0.0009516300000000 ]  - [   0.0000859900000000,  0.0002073200000000,  0.0009516300000000 ]  - [   0.0000000000000000,  0.0163657500000000,  0.0227240500000000 ]  - [  -0.0007526300000000,  0.0005034400000000,  0.0003975600000000 ]  - [   0.0007526300000000,  0.0005034400000000,  0.0003975600000000 ]  - [   0.0000000000000000,  0.0030858800000000,  0.0011642600000000 ]  - [  -0.0006221400000000,  0.0001475900000000, -0.0000641500000000 ]  - [   0.0006221400000000,  0.0001475900000000, -0.0000641500000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0015008800000000,  0.0122396900000000 ]  - [   0.0007659300000000, -0.0003629900000000,  0.0019191700000000 ]  - [  -0.0007659300000000, -0.0003629900000000,  0.0019191700000000 ]  - [   0.0000000000000000, -0.0004061300000000, -0.0354589200000000 ]  - [  -0.0034859000000000,  0.0000417800000000, -0.0011327400000000 ]  - [   0.0034859000000000,  0.0000417800000000, -0.0011327400000000 ]  - [  -0.0005115200000000, -0.0002085500000000, -0.0051425100000000 ]  - [   0.0000000000000000,  0.0002905900000000, -0.0010226900000000 ]  - [   0.0005115200000000, -0.0002085500000000, -0.0051425100000000 ]  - [   0.0045793800000000,  0.0037199900000000,  0.0029582200000000 ]  - [   0.0000000000000000,  0.0009033700000000,  0.0006835700000000 ]  - [  -0.0045793800000000,  0.0037199900000000,  0.0029582200000000 ]  - [  -0.0001616500000000,  0.0004561400000000,  0.0016582800000000 ]  - [   0.0000000000000000,  0.0002696400000000,  0.0005551200000000 ]  - [   0.0001616500000000,  0.0004561400000000,  0.0016582800000000 ]  - [  -0.0014189700000000,  0.0014290400000000, -0.0002923100000000 ]  - [   0.0000000000000000,  0.0004849100000000, -0.0002584100000000 ]  - [   0.0014189700000000,  0.0014290400000000, -0.0002923100000000 ]  - [   0.0000000000000000, -0.0065663300000000, -0.0167492700000000 ]  - [  -0.0014463300000000, -0.0004420200000000, -0.0012194100000000 ]  - [   0.0014463300000000, -0.0004420200000000, -0.0012194100000000 ]  - [   0.0000000000000000, -0.0103721900000000,  0.0052661600000000 ]  - [   0.0008725300000000, -0.0010419600000000,  0.0005905900000000 ]  - [  -0.0008725300000000, -0.0010419600000000,  0.0005905900000000 ]  - [   0.0000000000000000, -0.0364020900000000, -0.0490484000000000 ]  - [   0.0051392800000000, -0.0012588600000000, -0.0022286200000000 ]  - [  -0.0051392800000000, -0.0012588600000000, -0.0022286200000000 ]  - [  -0.0029589500000000, -0.0029957800000000,  0.0057372100000000 ]  - [   0.0000000000000000, -0.0005907100000000,  0.0010929400000000 ]  - [   0.0029589500000000, -0.0029957800000000,  0.0057372100000000 ]  - [   0.0001631800000000,  0.0011484500000000, -0.0035099400000000 ]  - [   0.0000000000000000,  0.0006309800000000, -0.0008548100000000 ]  - [  -0.0001631800000000,  0.0011484500000000, -0.0035099400000000 ]  - [   0.0000000000000000,  0.0064193000000000,  0.0130676400000000 ]  - [  -0.0011345100000000, -0.0002412200000000,  0.0017614000000000 ]  - [   0.0011345100000000, -0.0002412200000000,  0.0017614000000000 ]  - [   0.0000000000000000,  0.0598387700000000,  0.1504817500000000 ]  - [   0.0000992200000000,  0.0012709300000000,  0.0023263500000000 ]  - [  -0.0000992200000000,  0.0012709300000000,  0.0023263500000000 ]  - [   0.0000000000000000, -0.0108860000000000, -0.0184259300000000 ]  - [  -0.0016350400000000,  0.0001353000000000, -0.0008566600000000 ]  - [   0.0016350400000000,  0.0001353000000000, -0.0008566600000000 ]  - [   0.0000000000000000,  0.0042677400000000, -0.0296680700000000 ]  - [  -0.0008257200000000,  0.0006723900000000, -0.0005114000000000 ]  - [   0.0008257200000000,  0.0006723900000000, -0.0005114000000000 ]  - [   0.0000000000000000,  0.0031592000000000,  0.0135266200000000 ]  - [  -0.0002679300000000, -0.0002777200000000,  0.0024005600000000 ]  - [   0.0002679300000000, -0.0002777200000000,  0.0024005600000000 ]  - [   0.0000000000000000,  0.0061203900000000, -0.0106083300000000 ]  - [   0.0010250500000000,  0.0000366900000000, -0.0012020700000000 ]  - [  -0.0010250500000000,  0.0000366900000000, -0.0012020700000000 ]  - [   0.0000020200000000,  0.0003830000000000, -0.0029171500000000 ]  - [   0.0000000000000000, -0.0000059700000000, -0.0007580400000000 ]  - [  -0.0000020200000000,  0.0003830000000000, -0.0029171500000000 ]  - [  -0.0112480500000000, -0.0050660800000000,  0.0015169400000000 ]  - [   0.0000000000000000, -0.0010264400000000,  0.0005616100000000 ]  - [   0.0112480500000000, -0.0050660800000000,  0.0015169400000000 ]  - [  -0.0013580600000000, -0.0005683400000000, -0.0030570500000000 ]  - [   0.0000000000000000, -0.0000675200000000, -0.0008053800000000 ]  - [   0.0013580600000000, -0.0005683400000000, -0.0030570500000000 ]  - [   0.0002163900000000,  0.0003629100000000,  0.0003653100000000 ]  - [   0.0000000000000000, -0.0001211600000000,  0.0001962600000000 ]  - [  -0.0002163900000000,  0.0003629100000000,  0.0003653100000000 ]  - [   0.0084462800000000,  0.0055561600000000, -0.0015316600000000 ]  - [   0.0000000000000000,  0.0009101700000000, -0.0000448700000000 ]  - [  -0.0084462800000000,  0.0055561600000000, -0.0015316600000000 ]  - [   0.0000730300000000, -0.0004791000000000,  0.0009679600000000 ]  - [   0.0000000000000000, -0.0003065000000000,  0.0002413100000000 ]  - [  -0.0000730300000000, -0.0004791000000000,  0.0009679600000000 ]  - [  -0.0011236500000000,  0.0012322700000000, -0.0001173300000000 ]  - [   0.0000000000000000,  0.0001797800000000, -0.0000898000000000 ]  - [   0.0011236500000000,  0.0012322700000000, -0.0001173300000000 ]  - [  -0.0001988100000000, -0.0019662000000000,  0.0005673600000000 ]  - [   0.0000000000000000, -0.0006455800000000,  0.0002236300000000 ]  - [   0.0001988100000000, -0.0019662000000000,  0.0005673600000000 ]  - [   0.0035240100000000, -0.0018000800000000,  0.0024967400000000 ]  - [   0.0000000000000000, -0.0004669100000000,  0.0006534100000000 ]  - [  -0.0035240100000000, -0.0018000800000000,  0.0024967400000000 ]  - [   0.0016929700000000, -0.0007048700000000, -0.0010361000000000 ]  - [   0.0000000000000000, -0.0001011900000000, -0.0003418800000000 ]  - [  -0.0016929700000000, -0.0007048700000000, -0.0010361000000000 ]  - [   0.0000000000000000,  0.0035456000000000, -0.0074569100000000 ]  - [   0.0000062200000000,  0.0007733200000000, -0.0012369000000000 ]  - [  -0.0000062200000000,  0.0007733200000000, -0.0012369000000000 ]  - [   0.0000000000000000,  0.0003160400000000,  0.0029458000000000 ]  - [   0.0000907700000000, -0.0002798900000000,  0.0007132200000000 ]  - [  -0.0000907700000000, -0.0002798900000000,  0.0007132200000000 ]  - [   0.0000000000000000, -0.0002829900000000, -0.0038100300000000 ]  - [   0.0000888600000000,  0.0000995400000000, -0.0006504200000000 ]  - [  -0.0000888600000000,  0.0000995400000000, -0.0006504200000000 ]  - [   0.0000000000000000, -0.0165635000000000, -0.0227968500000000 ]  - [   0.0007525700000000, -0.0004209400000000, -0.0001920700000000 ]  - [  -0.0007525700000000, -0.0004209400000000, -0.0001920700000000 ]  - [   0.0000000000000000, -0.0027484500000000, -0.0013732800000000 ]  - [   0.0006173500000000,  0.0001578800000000, -0.0002267900000000 ]  - [  -0.0006173500000000,  0.0001578800000000, -0.0002267900000000 ]- atom:   40  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0188635000000000, -0.0000135700000000,  0.0000598300000000 ]  - [  -0.0049949100000000,  0.0031659700000000, -0.0021308400000000 ]  - [  -0.0050049900000000, -0.0030899100000000,  0.0021237900000000 ]  - [   0.0028056100000000,  0.0000334200000000, -0.0000297600000000 ]  - [  -0.0013895800000000,  0.0003345100000000,  0.0004816100000000 ]  - [  -0.0014023500000000, -0.0002894300000000, -0.0004957400000000 ]  - [   0.0016700300000000, -0.0014321200000000,  0.0037712800000000 ]  - [  -0.0030912300000000, -0.0000206800000000,  0.0000103000000000 ]  - [   0.0016219700000000,  0.0014055300000000, -0.0037616900000000 ]  - [   0.0520204800000000,  0.0172106300000000,  0.0040494200000000 ]  - [  -0.0097318300000000, -0.0000295100000000, -0.0000089000000000 ]  - [   0.0488721900000000, -0.0158656700000000, -0.0036376400000000 ]  - [   0.0012233900000000, -0.0051883000000000, -0.0021344100000000 ]  - [  -0.0024567000000000,  0.0000133300000000,  0.0000034100000000 ]  - [   0.0012038400000000,  0.0051851700000000,  0.0021289200000000 ]  - [   0.0007091400000000, -0.0014054300000000,  0.0000825600000000 ]  - [  -0.0014026900000000,  0.0000188200000000, -0.0000063300000000 ]  - [   0.0006973900000000,  0.0014403600000000, -0.0000983600000000 ]  - [   0.0018859300000000, -0.0000562700000000,  0.0000001600000000 ]  - [  -0.0008953300000000,  0.0009107100000000,  0.0003940700000000 ]  - [  -0.0009068000000000, -0.0009538200000000, -0.0003784000000000 ]  - [   0.0025510800000000, -0.0000721800000000, -0.0000044300000000 ]  - [  -0.0012808600000000,  0.0011258700000000, -0.0000751800000000 ]  - [  -0.0012930800000000, -0.0011697900000000,  0.0000626600000000 ]  - [   0.0239499500000000,  0.0002066300000000, -0.0001227600000000 ]  - [  -0.0087656900000000,  0.0039898700000000,  0.0040150100000000 ]  - [  -0.0087949700000000, -0.0033817000000000, -0.0039712000000000 ]  - [   0.0020407800000000,  0.0007553300000000, -0.0079141300000000 ]  - [  -0.0041379000000000, -0.0002836600000000, -0.0000121700000000 ]  - [   0.0020035200000000, -0.0012907400000000,  0.0078691900000000 ]  - [   0.0013126700000000, -0.0049041200000000,  0.0045426900000000 ]  - [  -0.0026643500000000,  0.0002797300000000,  0.0000071600000000 ]  - [   0.0012954200000000,  0.0054362500000000, -0.0044968600000000 ]  - [   0.0021040600000000, -0.0003153600000000,  0.0000121500000000 ]  - [  -0.0010468400000000,  0.0003370200000000, -0.0008649100000000 ]  - [  -0.0010585100000000, -0.0009146200000000,  0.0008553800000000 ]  - [   0.0002798900000000,  0.0000475100000000,  0.0000004600000000 ]  - [   0.0008192500000000, -0.0018185700000000, -0.0017397400000000 ]  - [   0.0008246000000000,  0.0017181800000000,  0.0015353200000000 ]  - [  -0.1748859900000000, -0.0015598900000000, -0.0005227300000000 ]  - [   0.0145181900000000, -0.0067321300000000, -0.0022585500000000 ]  - [   0.0144167300000000,  0.0063375200000000,  0.0019222500000000 ]  - [  -0.0066118300000000,  0.0000794000000000,  0.0000963200000000 ]  - [   0.0007768400000000, -0.0024249500000000,  0.0003644100000000 ]  - [   0.0007838400000000,  0.0023202000000000, -0.0001719500000000 ]  - [  -0.0043876200000000, -0.0001674400000000,  0.0001890000000000 ]  - [   0.0026454700000000,  0.0007069400000000, -0.0015700600000000 ]  - [   0.0026562600000000, -0.0010085200000000,  0.0018641400000000 ]  - [  -0.0052060000000000,  0.0001719200000000, -0.0000111900000000 ]  - [   0.0028369300000000,  0.0006819900000000,  0.0010725400000000 ]  - [   0.0028443500000000, -0.0003132700000000, -0.0010649300000000 ]  - [  -0.0005379900000000,  0.0036704000000000,  0.0083539700000000 ]  - [   0.0012552100000000,  0.0000459400000000, -0.0000898600000000 ]  - [  -0.0005019600000000, -0.0035606600000000, -0.0084541500000000 ]  - [   0.0111026500000000, -0.0077222800000000, -0.0158838700000000 ]  - [   0.0066926300000000, -0.0001912200000000, -0.0000090600000000 ]  - [   0.0110895200000000,  0.0072780900000000,  0.0156974200000000 ]  - [   0.0040844400000000, -0.0062823100000000,  0.0113295200000000 ]  - [   0.0043099300000000,  0.0001483500000000,  0.0001587400000000 ]  - [   0.0041123500000000,  0.0065092200000000, -0.0109265100000000 ]  - [  -0.0003039700000000,  0.0011859800000000,  0.0014756200000000 ]  - [   0.0006779600000000,  0.0000462100000000,  0.0000999000000000 ]  - [  -0.0002998000000000, -0.0010984700000000, -0.0012647800000000 ]  - [  -0.0010411700000000, -0.0007851500000000,  0.0005188300000000 ]  - [   0.0020295100000000,  0.0001504200000000, -0.0001490400000000 ]  - [  -0.0010160500000000,  0.0010819900000000, -0.0008079000000000 ]  - [  -0.0002750500000000,  0.0008510300000000, -0.0012293700000000 ]  - [   0.0006252800000000, -0.0000434100000000, -0.0000996800000000 ]  - [  -0.0002678400000000, -0.0009460100000000,  0.0010240400000000 ]  - [  -0.0008937100000000,  0.0016644900000000, -0.0001673500000000 ]  - [   0.0017731600000000, -0.0001499700000000, -0.0001514500000000 ]  - [  -0.0008713300000000, -0.0019438900000000, -0.0001340100000000 ]  - [  -0.0010381600000000,  0.0125138400000000, -0.0034858900000000 ]  - [   0.0011957800000000, -0.0000339200000000,  0.0000937100000000 ]  - [  -0.0009872400000000, -0.0124731900000000,  0.0036292900000000 ]  - [  -0.0007322900000000,  0.0008193200000000, -0.0008085900000000 ]  - [   0.0013931900000000, -0.0001505500000000,  0.0001489000000000 ]  - [  -0.0007133100000000, -0.0011099200000000,  0.0010997800000000 ]  - [  -0.0008032500000000,  0.0009816000000000,  0.0003901300000000 ]  - [   0.0015937900000000,  0.0001874100000000,  0.0000015500000000 ]  - [  -0.0007857200000000, -0.0006015900000000, -0.0003864300000000 ]  - [  -0.0004919100000000,  0.0001062900000000, -0.0001141600000000 ]  - [   0.0004310400000000, -0.0013903900000000,  0.0005240600000000 ]  - [   0.0004349400000000,  0.0014722000000000, -0.0007153900000000 ]  - [  -0.0032015200000000, -0.0001726700000000, -0.0000013300000000 ]  - [   0.0016065800000000, -0.0000845500000000, -0.0002759500000000 ]  - [   0.0016103200000000, -0.0002806800000000,  0.0002728200000000 ]  - [  -0.0029683800000000,  0.0001721400000000,  0.0001505900000000 ]  - [   0.0014602600000000,  0.0003622400000000,  0.0005211600000000 ]  - [   0.0014627100000000, -0.0000495100000000, -0.0002140000000000 ]  - [  -0.0005660700000000,  0.0000541800000000,  0.0001049500000000 ]  - [   0.0002618700000000, -0.0003096700000000,  0.0000103500000000 ]  - [   0.0002650800000000,  0.0003999600000000,  0.0001853500000000 ]  - [  -0.0015072300000000,  0.0001621200000000, -0.0001515900000000 ]  - [   0.0007532200000000, -0.0000521500000000, -0.0000893800000000 ]  - [   0.0007592500000000,  0.0003575600000000, -0.0002121000000000 ]- atom:   40  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0116820200000000,  0.0015942500000000 ]  - [   0.0020448100000000,  0.0013837900000000, -0.0010676600000000 ]  - [  -0.0020448100000000,  0.0013837900000000, -0.0010676600000000 ]  - [   0.0000000000000000,  0.0024235700000000, -0.0024190200000000 ]  - [   0.0006324900000000,  0.0000765100000000, -0.0001735400000000 ]  - [  -0.0006324900000000,  0.0000765100000000, -0.0001735400000000 ]  - [   0.0002256900000000,  0.0021119300000000,  0.0005692900000000 ]  - [   0.0000000000000000,  0.0002980400000000,  0.0003979800000000 ]  - [  -0.0002256900000000,  0.0021119300000000,  0.0005692900000000 ]  - [   0.0121006600000000,  0.0220233700000000,  0.0021589100000000 ]  - [   0.0000000000000000, -0.0008260000000000, -0.0004218400000000 ]  - [  -0.0121006600000000,  0.0220233700000000,  0.0021589100000000 ]  - [  -0.0000525400000000, -0.0047130100000000, -0.0020734800000000 ]  - [   0.0000000000000000, -0.0007375300000000, -0.0003841300000000 ]  - [   0.0000525400000000, -0.0047130100000000, -0.0020734800000000 ]  - [   0.0005542100000000, -0.0007511500000000,  0.0002019800000000 ]  - [   0.0000000000000000, -0.0002115600000000,  0.0000552300000000 ]  - [  -0.0005542100000000, -0.0007511500000000,  0.0002019800000000 ]  - [   0.0000000000000000, -0.0043276400000000, -0.0009824500000000 ]  - [   0.0005391400000000, -0.0004687300000000,  0.0001615800000000 ]  - [  -0.0005391400000000, -0.0004687300000000,  0.0001615800000000 ]  - [   0.0000000000000000, -0.0101260300000000,  0.0010561100000000 ]  - [   0.0008266900000000, -0.0008557200000000, -0.0000163800000000 ]  - [  -0.0008266900000000, -0.0008557200000000, -0.0000163800000000 ]  - [   0.0000000000000000,  0.0214194600000000,  0.0019948300000000 ]  - [   0.0030518700000000,  0.0019911800000000,  0.0026789700000000 ]  - [  -0.0030518700000000,  0.0019911800000000,  0.0026789700000000 ]  - [   0.0007461500000000,  0.0046676600000000, -0.0024155000000000 ]  - [   0.0000000000000000,  0.0003418400000000, -0.0010940900000000 ]  - [  -0.0007461500000000,  0.0046676600000000, -0.0024155000000000 ]  - [   0.0003121700000000, -0.0049659900000000,  0.0035898000000000 ]  - [   0.0000000000000000, -0.0004807200000000,  0.0007740400000000 ]  - [  -0.0003121700000000, -0.0049659900000000,  0.0035898000000000 ]  - [   0.0000000000000000, -0.0049826200000000,  0.0022497500000000 ]  - [   0.0005519300000000, -0.0009433300000000, -0.0003764500000000 ]  - [  -0.0005519300000000, -0.0009433300000000, -0.0003764500000000 ]  - [   0.0000000000000000,  0.0110015900000000,  0.0106483000000000 ]  - [  -0.0003926200000000, -0.0003695900000000, -0.0003844200000000 ]  - [   0.0003926200000000, -0.0003695900000000, -0.0003844200000000 ]  - [   0.0000000000000000, -0.0968360400000000, -0.0237881500000000 ]  - [   0.0065406400000000, -0.0058812400000000, -0.0022275500000000 ]  - [  -0.0065406400000000, -0.0058812400000000, -0.0022275500000000 ]  - [   0.0000000000000000,  0.0306282800000000,  0.0034375100000000 ]  - [  -0.0007481500000000, -0.0006868400000000, -0.0000299200000000 ]  - [   0.0007481500000000, -0.0006868400000000, -0.0000299200000000 ]  - [   0.0000000000000000, -0.0042957900000000,  0.0019068200000000 ]  - [  -0.0008596000000000, -0.0003775100000000,  0.0002324300000000 ]  - [   0.0008596000000000, -0.0003775100000000,  0.0002324300000000 ]  - [   0.0000000000000000, -0.0027964500000000, -0.0010520600000000 ]  - [  -0.0005415500000000, -0.0003400900000000,  0.0000743000000000 ]  - [   0.0005415500000000, -0.0003400900000000,  0.0000743000000000 ]  - [   0.0017603200000000,  0.0001014800000000,  0.0052911300000000 ]  - [   0.0000000000000000, -0.0000591100000000,  0.0006591800000000 ]  - [  -0.0017603200000000,  0.0001014800000000,  0.0052911300000000 ]  - [  -0.0076880300000000, -0.0057299900000000,  0.0024232300000000 ]  - [   0.0000000000000000, -0.0008933100000000, -0.0012039500000000 ]  - [   0.0076880300000000, -0.0057299900000000,  0.0024232300000000 ]  - [  -0.0064011200000000, -0.0043840600000000, -0.0023852200000000 ]  - [   0.0000000000000000, -0.0004944800000000,  0.0008930900000000 ]  - [   0.0064011200000000, -0.0043840600000000, -0.0023852200000000 ]  - [  -0.0001914900000000, -0.0005602500000000,  0.0008206200000000 ]  - [   0.0000000000000000,  0.0000089900000000,  0.0003188200000000 ]  - [   0.0001914900000000, -0.0005602500000000,  0.0008206200000000 ]  - [  -0.0009322600000000, -0.0006715400000000,  0.0005503800000000 ]  - [   0.0000000000000000, -0.0000868700000000,  0.0000729800000000 ]  - [   0.0009322600000000, -0.0006715400000000,  0.0005503800000000 ]  - [   0.0001792900000000,  0.0000532500000000, -0.0014877600000000 ]  - [   0.0000000000000000, -0.0001066700000000, -0.0004314700000000 ]  - [  -0.0001792900000000,  0.0000532500000000, -0.0014877600000000 ]  - [  -0.0017956500000000,  0.0024867700000000,  0.0001258700000000 ]  - [   0.0000000000000000,  0.0002968600000000, -0.0001039800000000 ]  - [   0.0017956500000000,  0.0024867700000000,  0.0001258700000000 ]  - [   0.0030989900000000,  0.0070757400000000, -0.0015761200000000 ]  - [   0.0000000000000000,  0.0008296300000000, -0.0002196600000000 ]  - [  -0.0030989900000000,  0.0070757400000000, -0.0015761200000000 ]  - [  -0.0009624700000000,  0.0010875700000000, -0.0006829300000000 ]  - [   0.0000000000000000,  0.0001319300000000, -0.0001533800000000 ]  - [   0.0009624700000000,  0.0010875700000000, -0.0006829300000000 ]  - [  -0.0009925700000000,  0.0010887900000000,  0.0002851200000000 ]  - [   0.0000000000000000,  0.0004813800000000,  0.0001878500000000 ]  - [   0.0009925700000000,  0.0010887900000000,  0.0002851200000000 ]  - [   0.0000000000000000,  0.0095887200000000, -0.0030073800000000 ]  - [  -0.0003268000000000,  0.0001431000000000, -0.0000929500000000 ]  - [   0.0003268000000000,  0.0001431000000000, -0.0000929500000000 ]  - [   0.0000000000000000,  0.0024112500000000, -0.0000250900000000 ]  - [   0.0001529400000000,  0.0004846900000000, -0.0002084800000000 ]  - [  -0.0001529400000000,  0.0004846900000000, -0.0002084800000000 ]  - [   0.0000000000000000,  0.0041154800000000,  0.0000340600000000 ]  - [   0.0002080500000000,  0.0009335000000000,  0.0004968100000000 ]  - [  -0.0002080500000000,  0.0009335000000000,  0.0004968100000000 ]  - [   0.0000000000000000,  0.0009380600000000,  0.0005313200000000 ]  - [  -0.0001736800000000,  0.0002940600000000,  0.0001526000000000 ]  - [   0.0001736800000000,  0.0002940600000000,  0.0001526000000000 ]  - [   0.0000000000000000,  0.0014775000000000, -0.0004056800000000 ]  - [  -0.0002037300000000,  0.0002887700000000, -0.0001745600000000 ]  - [   0.0002037300000000,  0.0002887700000000, -0.0001745600000000 ]- atom:   40  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0123187200000000, -0.0008632500000000 ]  - [  -0.0020396800000000, -0.0013517900000000,  0.0010832000000000 ]  - [   0.0020396800000000, -0.0013517900000000,  0.0010832000000000 ]  - [   0.0000000000000000, -0.0023883600000000,  0.0024004900000000 ]  - [  -0.0006333900000000, -0.0000386900000000,  0.0001574600000000 ]  - [   0.0006333900000000, -0.0000386900000000,  0.0001574600000000 ]  - [  -0.0002313000000000, -0.0021359300000000, -0.0005665900000000 ]  - [   0.0000000000000000, -0.0003359100000000, -0.0003872400000000 ]  - [   0.0002313000000000, -0.0021359300000000, -0.0005665900000000 ]  - [  -0.0117383700000000, -0.0220511800000000, -0.0021056900000000 ]  - [   0.0000000000000000,  0.0007901400000000,  0.0004114200000000 ]  - [   0.0117383700000000, -0.0220511800000000, -0.0021056900000000 ]  - [   0.0000373800000000,  0.0047604200000000,  0.0020751200000000 ]  - [   0.0000000000000000,  0.0007855000000000,  0.0003979200000000 ]  - [  -0.0000373800000000,  0.0047604200000000,  0.0020751200000000 ]  - [  -0.0005574200000000,  0.0007994900000000, -0.0002135500000000 ]  - [   0.0000000000000000,  0.0002593900000000, -0.0000685700000000 ]  - [   0.0005574200000000,  0.0007994900000000, -0.0002135500000000 ]  - [   0.0000000000000000,  0.0042752500000000,  0.0010065600000000 ]  - [  -0.0005429100000000,  0.0004174600000000, -0.0001478600000000 ]  - [   0.0005429100000000,  0.0004174600000000, -0.0001478600000000 ]  - [   0.0000000000000000,  0.0101385000000000, -0.0010919700000000 ]  - [  -0.0008380700000000,  0.0008033300000000,  0.0000025100000000 ]  - [   0.0008380700000000,  0.0008033300000000,  0.0000025100000000 ]  - [   0.0000000000000000, -0.0214433300000000, -0.0031665900000000 ]  - [  -0.0030264900000000, -0.0014310800000000, -0.0026780300000000 ]  - [   0.0030264900000000, -0.0014310800000000, -0.0026780300000000 ]  - [  -0.0007495400000000, -0.0052309600000000,  0.0024265600000000 ]  - [   0.0000000000000000, -0.0009118500000000,  0.0010935000000000 ]  - [   0.0007495400000000, -0.0052309600000000,  0.0024265600000000 ]  - [  -0.0003251600000000,  0.0055413700000000, -0.0035743400000000 ]  - [   0.0000000000000000,  0.0010598500000000, -0.0007738700000000 ]  - [   0.0003251600000000,  0.0055413700000000, -0.0035743400000000 ]  - [   0.0000000000000000,  0.0044208400000000, -0.0022749900000000 ]  - [  -0.0005570500000000,  0.0003630900000000,  0.0003744500000000 ]  - [   0.0005570500000000,  0.0003630900000000,  0.0003744500000000 ]  - [   0.0000000000000000, -0.0111143600000000, -0.0108266200000000 ]  - [   0.0003916600000000,  0.0002892200000000,  0.0001949400000000 ]  - [  -0.0003916600000000,  0.0002892200000000,  0.0001949400000000 ]  - [   0.0000000000000000,  0.0982381800000000,  0.0238493300000000 ]  - [  -0.0065284800000000,  0.0055721400000000,  0.0019158900000000 ]  - [   0.0065284800000000,  0.0055721400000000,  0.0019158900000000 ]  - [   0.0000000000000000, -0.0312883300000000, -0.0033300700000000 ]  - [   0.0007506300000000,  0.0006099900000000,  0.0002203300000000 ]  - [  -0.0007506300000000,  0.0006099900000000,  0.0002203300000000 ]  - [   0.0000000000000000,  0.0040058300000000, -0.0016050500000000 ]  - [   0.0008554800000000,  0.0000680000000000,  0.0000763700000000 ]  - [  -0.0008554800000000,  0.0000680000000000,  0.0000763700000000 ]  - [   0.0000000000000000,  0.0031809300000000,  0.0010530200000000 ]  - [   0.0005406200000000,  0.0007075600000000, -0.0000766600000000 ]  - [  -0.0005406200000000,  0.0007075600000000, -0.0000766600000000 ]  - [  -0.0017492600000000, -0.0000314300000000, -0.0054882400000000 ]  - [   0.0000000000000000,  0.0001423400000000, -0.0008539000000000 ]  - [   0.0017492600000000, -0.0000314300000000, -0.0054882400000000 ]  - [   0.0076309300000000,  0.0054162300000000, -0.0023691900000000 ]  - [   0.0000000000000000,  0.0005175600000000,  0.0012051000000000 ]  - [  -0.0076309300000000,  0.0054162300000000, -0.0023691900000000 ]  - [   0.0063895400000000,  0.0047363000000000,  0.0026564800000000 ]  - [   0.0000000000000000,  0.0007981600000000, -0.0005938800000000 ]  - [  -0.0063895400000000,  0.0047363000000000,  0.0026564800000000 ]  - [   0.0001925000000000,  0.0006425100000000, -0.0006267800000000 ]  - [   0.0000000000000000,  0.0000756700000000, -0.0001241100000000 ]  - [  -0.0001925000000000,  0.0006425100000000, -0.0006267800000000 ]  - [   0.0009346500000000,  0.0009778300000000, -0.0008515300000000 ]  - [   0.0000000000000000,  0.0003931300000000, -0.0003745000000000 ]  - [  -0.0009346500000000,  0.0009778300000000, -0.0008515300000000 ]  - [  -0.0001766400000000, -0.0001510900000000,  0.0012866800000000 ]  - [   0.0000000000000000,  0.0000122000000000,  0.0002351200000000 ]  - [   0.0001766400000000, -0.0001510900000000,  0.0012866800000000 ]  - [   0.0018128600000000, -0.0028013900000000, -0.0004297900000000 ]  - [   0.0000000000000000, -0.0006042800000000, -0.0001987000000000 ]  - [  -0.0018128600000000, -0.0028013900000000, -0.0004297900000000 ]  - [  -0.0030612300000000, -0.0071776900000000,  0.0017750400000000 ]  - [   0.0000000000000000, -0.0009256700000000,  0.0004160300000000 ]  - [   0.0030612300000000, -0.0071776900000000,  0.0017750400000000 ]  - [   0.0009666700000000, -0.0013933000000000,  0.0009814500000000 ]  - [   0.0000000000000000, -0.0004379200000000,  0.0004548300000000 ]  - [  -0.0009666700000000, -0.0013933000000000,  0.0009814500000000 ]  - [   0.0009997300000000, -0.0007201700000000, -0.0002825400000000 ]  - [   0.0000000000000000, -0.0001121700000000, -0.0001872900000000 ]  - [  -0.0009997300000000, -0.0007201700000000, -0.0002825400000000 ]  - [   0.0000000000000000, -0.0095387600000000,  0.0028279400000000 ]  - [   0.0003286800000000, -0.0000477900000000, -0.0001024900000000 ]  - [  -0.0003286800000000, -0.0000477900000000, -0.0001024900000000 ]  - [   0.0000000000000000, -0.0027880800000000,  0.0000158600000000 ]  - [  -0.0001461200000000, -0.0008538100000000,  0.0002063700000000 ]  - [   0.0001461200000000, -0.0008538100000000,  0.0002063700000000 ]  - [   0.0000000000000000, -0.0038211600000000,  0.0002839100000000 ]  - [  -0.0002034600000000, -0.0006273000000000, -0.0001926000000000 ]  - [   0.0002034600000000, -0.0006273000000000, -0.0001926000000000 ]  - [   0.0000000000000000, -0.0008416300000000, -0.0003253300000000 ]  - [   0.0001745600000000, -0.0002007200000000,  0.0000440300000000 ]  - [  -0.0001745600000000, -0.0002007200000000,  0.0000440300000000 ]  - [   0.0000000000000000, -0.0011766300000000,  0.0001074700000000 ]  - [   0.0002061900000000,  0.0000162100000000, -0.0001273000000000 ]  - [  -0.0002061900000000,  0.0000162100000000, -0.0001273000000000 ]- atom:   40  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0091035300000000,  0.0158991100000000 ]  - [  -0.0033376100000000,  0.0018560400000000,  0.0014233300000000 ]  - [   0.0033376100000000,  0.0018560400000000,  0.0014233300000000 ]  - [   0.0000000000000000,  0.0020512000000000, -0.0085053400000000 ]  - [   0.0003976600000000,  0.0000773300000000, -0.0021219500000000 ]  - [  -0.0003976600000000,  0.0000773300000000, -0.0021219500000000 ]  - [   0.0031460800000000,  0.0031305300000000, -0.0047802100000000 ]  - [   0.0000000000000000,  0.0007484500000000, -0.0008574300000000 ]  - [  -0.0031460800000000,  0.0031305300000000, -0.0047802100000000 ]  - [   0.0013015600000000,  0.0021153600000000,  0.0146323500000000 ]  - [   0.0000000000000000, -0.0002824800000000,  0.0012077600000000 ]  - [  -0.0013015600000000,  0.0021153600000000,  0.0146323500000000 ]  - [  -0.0007493800000000, -0.0021154400000000,  0.0006997400000000 ]  - [   0.0000000000000000, -0.0002661400000000,  0.0002794500000000 ]  - [   0.0007493800000000, -0.0021154400000000,  0.0006997400000000 ]  - [   0.0001783300000000, -0.0003091900000000, -0.0014700500000000 ]  - [   0.0000000000000000, -0.0000866700000000, -0.0005580300000000 ]  - [  -0.0001783300000000, -0.0003091900000000, -0.0014700500000000 ]  - [   0.0000000000000000, -0.0055691100000000, -0.0018110000000000 ]  - [   0.0005832300000000, -0.0007340200000000, -0.0004888800000000 ]  - [  -0.0005832300000000, -0.0007340200000000, -0.0004888800000000 ]  - [   0.0000000000000000, -0.0012644500000000,  0.0040494100000000 ]  - [  -0.0000618300000000, -0.0003059300000000,  0.0009472300000000 ]  - [   0.0000618300000000, -0.0003059300000000,  0.0009472300000000 ]  - [   0.0000000000000000, -0.0031729200000000,  0.0238510500000000 ]  - [   0.0063973700000000, -0.0007115300000000,  0.0030852000000000 ]  - [  -0.0063973700000000, -0.0007115300000000,  0.0030852000000000 ]  - [  -0.0027583800000000, -0.0022261200000000, -0.0085327000000000 ]  - [   0.0000000000000000, -0.0008213900000000, -0.0014800600000000 ]  - [   0.0027583800000000, -0.0022261200000000, -0.0085327000000000 ]  - [   0.0005536400000000,  0.0000971000000000,  0.0023959800000000 ]  - [   0.0000000000000000,  0.0001463000000000,  0.0008076300000000 ]  - [  -0.0005536400000000,  0.0000971000000000,  0.0023959800000000 ]  - [   0.0000000000000000,  0.0014771600000000, -0.0057352800000000 ]  - [  -0.0002979200000000, -0.0002371000000000, -0.0012497300000000 ]  - [   0.0002979200000000, -0.0002371000000000, -0.0012497300000000 ]  - [   0.0000000000000000,  0.0181920700000000,  0.0180915500000000 ]  - [  -0.0006931000000000,  0.0006829800000000,  0.0006060300000000 ]  - [   0.0006931000000000,  0.0006829800000000,  0.0006060300000000 ]  - [   0.0000000000000000, -0.0226352500000000, -0.0949107100000000 ]  - [   0.0020579700000000, -0.0021961700000000, -0.0027463000000000 ]  - [  -0.0020579700000000, -0.0021961700000000, -0.0027463000000000 ]  - [   0.0000000000000000,  0.0069787200000000, -0.0132185900000000 ]  - [  -0.0002622800000000,  0.0005418200000000, -0.0021480800000000 ]  - [   0.0002622800000000,  0.0005418200000000, -0.0021480800000000 ]  - [   0.0000000000000000, -0.0018969000000000,  0.0076636000000000 ]  - [  -0.0017118900000000, -0.0002311100000000,  0.0013693300000000 ]  - [   0.0017118900000000, -0.0002311100000000,  0.0013693300000000 ]  - [   0.0000000000000000,  0.0002364000000000,  0.0055474200000000 ]  - [   0.0014986700000000,  0.0000120400000000,  0.0014291000000000 ]  - [  -0.0014986700000000,  0.0000120400000000,  0.0014291000000000 ]  - [   0.0025713200000000,  0.0021196800000000,  0.0012698800000000 ]  - [   0.0000000000000000,  0.0002496600000000, -0.0002056400000000 ]  - [  -0.0025713200000000,  0.0021196800000000,  0.0012698800000000 ]  - [  -0.0190387400000000,  0.0027027400000000,  0.0060790700000000 ]  - [   0.0000000000000000, -0.0015842000000000, -0.0006997500000000 ]  - [   0.0190387400000000,  0.0027027400000000,  0.0060790700000000 ]  - [   0.0111834600000000, -0.0023768300000000,  0.0063889000000000 ]  - [   0.0000000000000000,  0.0008992300000000,  0.0003164700000000 ]  - [  -0.0111834600000000, -0.0023768300000000,  0.0063889000000000 ]  - [   0.0000171100000000,  0.0008740400000000,  0.0033001500000000 ]  - [   0.0000000000000000,  0.0003025600000000,  0.0010521100000000 ]  - [  -0.0000171100000000,  0.0008740400000000,  0.0033001500000000 ]  - [  -0.0006542400000000, -0.0005450000000000,  0.0030342900000000 ]  - [   0.0000000000000000, -0.0000693500000000,  0.0010006600000000 ]  - [   0.0006542400000000, -0.0005450000000000,  0.0030342900000000 ]  - [  -0.0003979400000000, -0.0014744700000000, -0.0001323200000000 ]  - [   0.0000000000000000, -0.0004397100000000, -0.0001593600000000 ]  - [   0.0003979400000000, -0.0014744700000000, -0.0001323200000000 ]  - [   0.0000161500000000,  0.0001208700000000, -0.0011046200000000 ]  - [   0.0000000000000000, -0.0001062300000000, -0.0005427900000000 ]  - [  -0.0000161500000000,  0.0001208700000000, -0.0011046200000000 ]  - [  -0.0006335800000000,  0.0018032700000000, -0.0022380600000000 ]  - [   0.0000000000000000,  0.0002551500000000, -0.0004033700000000 ]  - [   0.0006335800000000,  0.0018032700000000, -0.0022380600000000 ]  - [  -0.0009490100000000,  0.0006739300000000,  0.0000107700000000 ]  - [   0.0000000000000000,  0.0001499400000000,  0.0001310600000000 ]  - [   0.0009490100000000,  0.0006739300000000,  0.0000107700000000 ]  - [   0.0003333000000000,  0.0000627000000000,  0.0006321900000000 ]  - [   0.0000000000000000,  0.0001104500000000,  0.0002776400000000 ]  - [  -0.0003333000000000,  0.0000627000000000,  0.0006321900000000 ]  - [   0.0000000000000000, -0.0119817700000000,  0.0011744100000000 ]  - [   0.0002612900000000, -0.0008583600000000, -0.0000178900000000 ]  - [  -0.0002612900000000, -0.0008583600000000, -0.0000178900000000 ]  - [   0.0000000000000000,  0.0001575300000000, -0.0009078100000000 ]  - [  -0.0001679300000000, -0.0001639700000000, -0.0003664500000000 ]  - [   0.0001679300000000, -0.0001639700000000, -0.0003664500000000 ]  - [   0.0000000000000000,  0.0000212300000000,  0.0000744900000000 ]  - [   0.0003662100000000,  0.0004949300000000,  0.0001405100000000 ]  - [  -0.0003662100000000,  0.0004949300000000,  0.0001405100000000 ]  - [   0.0000000000000000,  0.0018319700000000,  0.0040422400000000 ]  - [  -0.0000340100000000,  0.0003740900000000,  0.0008976000000000 ]  - [   0.0000340100000000,  0.0003740900000000,  0.0008976000000000 ]  - [   0.0000000000000000,  0.0004041000000000,  0.0017941500000000 ]  - [  -0.0000601100000000,  0.0001762400000000,  0.0004230800000000 ]  - [   0.0000601100000000,  0.0001762400000000,  0.0004230800000000 ]- atom:   40  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0097184400000000, -0.0152040700000000 ]  - [   0.0033289600000000, -0.0018257300000000, -0.0013943400000000 ]  - [  -0.0033289600000000, -0.0018257300000000, -0.0013943400000000 ]  - [   0.0000000000000000, -0.0020163300000000,  0.0085265400000000 ]  - [  -0.0004083800000000, -0.0000314200000000,  0.0021112900000000 ]  - [   0.0004083800000000, -0.0000314200000000,  0.0021112900000000 ]  - [  -0.0031827100000000, -0.0031974200000000,  0.0047988300000000 ]  - [   0.0000000000000000, -0.0007964600000000,  0.0008676500000000 ]  - [   0.0031827100000000, -0.0031974200000000,  0.0047988300000000 ]  - [  -0.0014007800000000, -0.0022478000000000, -0.0147088600000000 ]  - [   0.0000000000000000,  0.0002465500000000, -0.0012167600000000 ]  - [   0.0014007800000000, -0.0022478000000000, -0.0147088600000000 ]  - [   0.0007512600000000,  0.0021804800000000, -0.0006629400000000 ]  - [   0.0000000000000000,  0.0003137100000000, -0.0002604400000000 ]  - [  -0.0007512600000000,  0.0021804800000000, -0.0006629400000000 ]  - [  -0.0001837000000000,  0.0003536500000000,  0.0014578600000000 ]  - [   0.0000000000000000,  0.0001312800000000,  0.0005444300000000 ]  - [   0.0001837000000000,  0.0003536500000000,  0.0014578600000000 ]  - [   0.0000000000000000,  0.0055826700000000,  0.0018238100000000 ]  - [  -0.0005885500000000,  0.0006960300000000,  0.0004989800000000 ]  - [   0.0005885500000000,  0.0006960300000000,  0.0004989800000000 ]  - [   0.0000000000000000,  0.0012239900000000, -0.0040442100000000 ]  - [   0.0000638000000000,  0.0002681700000000, -0.0009591900000000 ]  - [  -0.0000638000000000,  0.0002681700000000, -0.0009591900000000 ]  - [   0.0000000000000000,  0.0021931300000000, -0.0258028900000000 ]  - [  -0.0064232200000000,  0.0012664700000000, -0.0031223400000000 ]  - [   0.0064232200000000,  0.0012664700000000, -0.0031223400000000 ]  - [   0.0027294300000000,  0.0016181300000000,  0.0085545800000000 ]  - [   0.0000000000000000,  0.0002417100000000,  0.0014907000000000 ]  - [  -0.0027294300000000,  0.0016181300000000,  0.0085545800000000 ]  - [  -0.0005537500000000,  0.0005066100000000, -0.0024446200000000 ]  - [   0.0000000000000000,  0.0004325000000000, -0.0008191600000000 ]  - [   0.0005537500000000,  0.0005066100000000, -0.0024446200000000 ]  - [   0.0000000000000000, -0.0020196700000000,  0.0057484500000000 ]  - [   0.0002943600000000, -0.0003328900000000,  0.0012584200000000 ]  - [  -0.0002943600000000, -0.0003328900000000,  0.0012584200000000 ]  - [   0.0000000000000000, -0.0185168700000000, -0.0185538300000000 ]  - [   0.0006974900000000, -0.0007718800000000, -0.0007965400000000 ]  - [  -0.0006974900000000, -0.0007718800000000, -0.0007965400000000 ]  - [   0.0000000000000000,  0.0250179500000000,  0.0961845400000000 ]  - [  -0.0021226600000000,  0.0019470800000000,  0.0024713800000000 ]  - [   0.0021226600000000,  0.0019470800000000,  0.0024713800000000 ]  - [   0.0000000000000000, -0.0069342000000000,  0.0135088100000000 ]  - [   0.0002625300000000, -0.0006289800000000,  0.0023483500000000 ]  - [  -0.0002625300000000, -0.0006289800000000,  0.0023483500000000 ]  - [   0.0000000000000000,  0.0016150600000000, -0.0074433400000000 ]  - [   0.0017222500000000, -0.0000750800000000, -0.0010650300000000 ]  - [  -0.0017222500000000, -0.0000750800000000, -0.0010650300000000 ]  - [   0.0000000000000000,  0.0001468800000000, -0.0055249300000000 ]  - [  -0.0014917300000000,  0.0003605300000000, -0.0014332100000000 ]  - [   0.0014917300000000,  0.0003605300000000, -0.0014332100000000 ]  - [  -0.0025564200000000, -0.0020244100000000, -0.0015148600000000 ]  - [   0.0000000000000000, -0.0001590400000000,  0.0000021600000000 ]  - [   0.0025564200000000, -0.0020244100000000, -0.0015148600000000 ]  - [   0.0192500800000000, -0.0030985300000000, -0.0060768100000000 ]  - [   0.0000000000000000,  0.0012262200000000,  0.0007130400000000 ]  - [  -0.0192500800000000, -0.0030985300000000, -0.0060768100000000 ]  - [  -0.0110727000000000,  0.0026655400000000, -0.0060850200000000 ]  - [   0.0000000000000000, -0.0005878400000000, -0.0000221000000000 ]  - [   0.0110727000000000,  0.0026655400000000, -0.0060850200000000 ]  - [  -0.0000138500000000, -0.0007784100000000, -0.0031137600000000 ]  - [   0.0000000000000000, -0.0002119800000000, -0.0008594400000000 ]  - [   0.0000138500000000, -0.0007784100000000, -0.0031137600000000 ]  - [   0.0006724300000000,  0.0008568800000000, -0.0033461600000000 ]  - [   0.0000000000000000,  0.0003782000000000, -0.0013056100000000 ]  - [  -0.0006724300000000,  0.0008568800000000, -0.0033461600000000 ]  - [   0.0004000100000000,  0.0013965500000000, -0.0000472400000000 ]  - [   0.0000000000000000,  0.0003534200000000, -0.0000306800000000 ]  - [  -0.0004000100000000,  0.0013965500000000, -0.0000472400000000 ]  - [  -0.0000171600000000, -0.0004347000000000,  0.0008028200000000 ]  - [   0.0000000000000000, -0.0002008500000000,  0.0002409600000000 ]  - [   0.0000171600000000, -0.0004347000000000,  0.0008028200000000 ]  - [   0.0006248600000000, -0.0019671800000000,  0.0024576900000000 ]  - [   0.0000000000000000, -0.0003523300000000,  0.0006016200000000 ]  - [  -0.0006248600000000, -0.0019671800000000,  0.0024576900000000 ]  - [   0.0009592200000000, -0.0009903600000000,  0.0003027800000000 ]  - [   0.0000000000000000, -0.0004582900000000,  0.0001750000000000 ]  - [  -0.0009592200000000, -0.0009903600000000,  0.0003027800000000 ]  - [  -0.0003271900000000,  0.0003016200000000, -0.0006379300000000 ]  - [   0.0000000000000000,  0.0002579500000000, -0.0002804800000000 ]  - [   0.0003271900000000,  0.0003016200000000, -0.0006379300000000 ]  - [   0.0000000000000000,  0.0119672100000000, -0.0013633100000000 ]  - [  -0.0002599500000000,  0.0009472400000000, -0.0001801500000000 ]  - [   0.0002599500000000,  0.0009472400000000, -0.0001801500000000 ]  - [   0.0000000000000000, -0.0005398900000000,  0.0009194700000000 ]  - [   0.0001650100000000, -0.0002113200000000,  0.0003714500000000 ]  - [  -0.0001650100000000, -0.0002113200000000,  0.0003714500000000 ]  - [   0.0000000000000000,  0.0002709200000000,  0.0002112700000000 ]  - [  -0.0003687500000000, -0.0001944700000000,  0.0001559500000000 ]  - [   0.0003687500000000, -0.0001944700000000,  0.0001559500000000 ]  - [   0.0000000000000000, -0.0017655400000000, -0.0038681400000000 ]  - [   0.0000359800000000, -0.0002894000000000, -0.0007052600000000 ]  - [  -0.0000359800000000, -0.0002894000000000, -0.0007052600000000 ]  - [   0.0000000000000000, -0.0001092400000000, -0.0020988400000000 ]  - [   0.0000625400000000,  0.0001288400000000, -0.0007262200000000 ]  - [  -0.0000625400000000,  0.0001288400000000, -0.0007262200000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0220639800000000, -0.0000363000000000, -0.0001104000000000 ]  - [  -0.0067453200000000,  0.0031432600000000,  0.0031562400000000 ]  - [  -0.0067638400000000, -0.0030797600000000, -0.0031227200000000 ]  - [   0.0220639800000000, -0.0000363000000000,  0.0001104000000000 ]  - [  -0.0067453200000000,  0.0031432600000000, -0.0031562400000000 ]  - [  -0.0067638400000000, -0.0030797600000000,  0.0031227200000000 ]  - [   0.0020415800000000, -0.0008726600000000, -0.0067846700000000 ]  - [  -0.0039289300000000, -0.0000206700000000, -0.0000017600000000 ]  - [   0.0019971400000000,  0.0008608100000000,  0.0067777700000000 ]  - [   0.0020415800000000, -0.0008726600000000,  0.0067846700000000 ]  - [  -0.0039289300000000, -0.0000206700000000,  0.0000017600000000 ]  - [   0.0019971400000000,  0.0008608100000000, -0.0067777700000000 ]  - [   0.0013735000000000, -0.0062188000000000,  0.0015708200000000 ]  - [  -0.0027105000000000,  0.0000137100000000,  0.0000094600000000 ]  - [   0.0013596400000000,  0.0062185200000000, -0.0015481800000000 ]  - [   0.0013735000000000, -0.0062188000000000, -0.0015708200000000 ]  - [  -0.0027105000000000,  0.0000137100000000, -0.0000094600000000 ]  - [   0.0013596400000000,  0.0062185200000000,  0.0015481800000000 ]  - [   0.0021325600000000, -0.0000501900000000,  0.0000114700000000 ]  - [  -0.0010625200000000,  0.0009641300000000, -0.0005756700000000 ]  - [  -0.0010727800000000, -0.0010079400000000,  0.0005852800000000 ]  - [   0.0021325600000000, -0.0000501900000000, -0.0000114700000000 ]  - [  -0.0010625200000000,  0.0009641300000000,  0.0005756700000000 ]  - [  -0.0010727800000000, -0.0010079400000000, -0.0005852800000000 ]  - [   0.0041288300000000,  0.0003180100000000,  0.0000000000000000 ]  - [  -0.0020678400000000,  0.0004035800000000,  0.0000000000000000 ]  - [  -0.0020872100000000,  0.0001718300000000,  0.0000000000000000 ]  - [   0.0325236800000000,  0.0085883100000000,  0.0000000000000000 ]  - [  -0.0171327000000000, -0.0002964800000000,  0.0000000000000000 ]  - [   0.0285777000000000, -0.0078069000000000,  0.0000000000000000 ]  - [   0.0010263000000000, -0.0019332700000000,  0.0000000000000000 ]  - [  -0.0020413000000000,  0.0002826400000000,  0.0000000000000000 ]  - [   0.0010133100000000,  0.0024906600000000,  0.0000000000000000 ]  - [   0.0031965800000000, -0.0003324500000000,  0.0000000000000000 ]  - [  -0.0015712700000000,  0.0009956400000000,  0.0000000000000000 ]  - [  -0.0015858500000000, -0.0015737700000000,  0.0000000000000000 ]  - [  -0.0009224400000000, -0.0000221100000000, -0.0001451300000000 ]  - [   0.0005969800000000, -0.0009499400000000,  0.0009234000000000 ]  - [   0.0006012700000000,  0.0008567600000000, -0.0011119600000000 ]  - [  -0.0052056100000000, -0.0001717000000000, -0.0001338600000000 ]  - [   0.0028369200000000,  0.0003877100000000, -0.0016507000000000 ]  - [   0.0028442900000000, -0.0006948900000000,  0.0013395600000000 ]  - [  -0.0009224400000000, -0.0000221100000000,  0.0001451300000000 ]  - [   0.0005969800000000, -0.0009499400000000, -0.0009234000000000 ]  - [   0.0006012700000000,  0.0008567600000000,  0.0011119600000000 ]  - [  -0.0052056100000000, -0.0001717000000000,  0.0001338600000000 ]  - [   0.0028369200000000,  0.0003877100000000,  0.0016507000000000 ]  - [   0.0028442900000000, -0.0006948900000000, -0.0013395600000000 ]  - [  -0.1691377900000000, -0.0010310200000000,  0.0000000000000000 ]  - [   0.0218559900000000, -0.0073321600000000,  0.0000000000000000 ]  - [   0.0217026800000000,  0.0076016800000000,  0.0000000000000000 ]  - [   0.0004122300000000,  0.0114743500000000, -0.0114432800000000 ]  - [   0.0018776900000000,  0.0000515100000000, -0.0001060300000000 ]  - [   0.0004707400000000, -0.0112808700000000,  0.0111116900000000 ]  - [  -0.0015558100000000, -0.0013861300000000,  0.0000000000000000 ]  - [   0.0030917000000000, -0.0001882000000000,  0.0000000000000000 ]  - [  -0.0015228100000000,  0.0010055300000000,  0.0000000000000000 ]  - [   0.0111028600000000, -0.0075598500000000, -0.0190995200000000 ]  - [   0.0066926300000000,  0.0001481000000000,  0.0001406700000000 ]  - [   0.0110896200000000,  0.0077605600000000,  0.0191891300000000 ]  - [   0.0004122300000000,  0.0114743500000000,  0.0114432800000000 ]  - [   0.0018776900000000,  0.0000515100000000,  0.0001060300000000 ]  - [   0.0004707400000000, -0.0112808700000000, -0.0111116900000000 ]  - [   0.0111028600000000, -0.0075598500000000,  0.0190995200000000 ]  - [   0.0066926300000000,  0.0001481000000000, -0.0001406700000000 ]  - [   0.0110896200000000,  0.0077605600000000, -0.0191891300000000 ]  - [  -0.0003152000000000,  0.0020264800000000,  0.0015962300000000 ]  - [   0.0006959300000000, -0.0000418000000000, -0.0000948700000000 ]  - [  -0.0003126400000000, -0.0021098900000000, -0.0017789300000000 ]  - [  -0.0008026100000000,  0.0008491300000000, -0.0004822100000000 ]  - [   0.0015939900000000, -0.0001511600000000, -0.0001521200000000 ]  - [  -0.0007863200000000, -0.0011430200000000,  0.0001783500000000 ]  - [  -0.0003152000000000,  0.0020264800000000, -0.0015962300000000 ]  - [   0.0006959300000000, -0.0000418000000000,  0.0000948700000000 ]  - [  -0.0003126400000000, -0.0021098900000000,  0.0017789300000000 ]  - [  -0.0008026100000000,  0.0008491300000000,  0.0004822100000000 ]  - [   0.0015939900000000, -0.0001511600000000,  0.0001521200000000 ]  - [  -0.0007863200000000, -0.0011430200000000, -0.0001783500000000 ]  - [  -0.0011966500000000,  0.0012151400000000,  0.0000000000000000 ]  - [   0.0023547100000000,  0.0001873500000000,  0.0000000000000000 ]  - [  -0.0011747100000000, -0.0008316000000000,  0.0000000000000000 ]  - [  -0.0015098200000000,  0.0000916600000000, -0.0000987600000000 ]  - [   0.0005665000000000, -0.0018186200000000, -0.0000019500000000 ]  - [   0.0005719200000000,  0.0019018100000000, -0.0001930800000000 ]  - [  -0.0022247000000000, -0.0001768400000000,  0.0000000000000000 ]  - [   0.0011112800000000, -0.0004221900000000,  0.0000000000000000 ]  - [   0.0011176400000000,  0.0000525900000000,  0.0000000000000000 ]  - [  -0.0032014400000000,  0.0001688000000000,  0.0001557600000000 ]  - [   0.0016074400000000,  0.0003055100000000, -0.0000152500000000 ]  - [   0.0016097000000000,  0.0000063500000000,  0.0003176800000000 ]  - [  -0.0015098200000000,  0.0000916600000000,  0.0000987600000000 ]  - [   0.0005665000000000, -0.0018186200000000,  0.0000019500000000 ]  - [   0.0005719200000000,  0.0019018100000000,  0.0001930800000000 ]  - [  -0.0032014400000000,  0.0001688000000000, -0.0001557600000000 ]  - [   0.0016074400000000,  0.0003055100000000,  0.0000152500000000 ]  - [   0.0016097000000000,  0.0000063500000000, -0.0003176800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0075655700000000, -0.0056031400000000 ]  - [   0.0025506600000000,  0.0007071800000000,  0.0011970700000000 ]  - [  -0.0025506600000000,  0.0007071800000000,  0.0011970700000000 ]  - [   0.0000000000000000,  0.0075655700000000,  0.0056031400000000 ]  - [   0.0025506600000000,  0.0007071800000000, -0.0011970700000000 ]  - [  -0.0025506600000000,  0.0007071800000000, -0.0011970700000000 ]  - [   0.0003243700000000,  0.0033548500000000, -0.0024409500000000 ]  - [   0.0000000000000000,  0.0003478800000000, -0.0009264200000000 ]  - [  -0.0003243700000000,  0.0033548500000000, -0.0024409500000000 ]  - [   0.0003243700000000,  0.0033548500000000,  0.0024409500000000 ]  - [   0.0000000000000000,  0.0003478800000000,  0.0009264200000000 ]  - [  -0.0003243700000000,  0.0033548500000000,  0.0024409500000000 ]  - [   0.0001824400000000, -0.0037670200000000,  0.0012555500000000 ]  - [   0.0000000000000000, -0.0008533000000000,  0.0003470400000000 ]  - [  -0.0001824400000000, -0.0037670200000000,  0.0012555500000000 ]  - [   0.0001824400000000, -0.0037670200000000, -0.0012555500000000 ]  - [   0.0000000000000000, -0.0008533000000000, -0.0003470400000000 ]  - [  -0.0001824400000000, -0.0037670200000000, -0.0012555500000000 ]  - [   0.0000000000000000, -0.0037250100000000,  0.0006582600000000 ]  - [   0.0004838900000000, -0.0004661400000000, -0.0001020900000000 ]  - [  -0.0004838900000000, -0.0004661400000000, -0.0001020900000000 ]  - [   0.0000000000000000, -0.0037250100000000, -0.0006582600000000 ]  - [   0.0004838900000000, -0.0004661400000000,  0.0001020900000000 ]  - [  -0.0004838900000000, -0.0004661400000000,  0.0001020900000000 ]  - [   0.0000000000000000,  0.0054050700000000,  0.0000000000000000 ]  - [   0.0008484300000000,  0.0006106800000000,  0.0000000000000000 ]  - [  -0.0008484300000000,  0.0006106800000000,  0.0000000000000000 ]  - [   0.0027053000000000,  0.0281202600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0014669600000000,  0.0000000000000000 ]  - [  -0.0027053000000000,  0.0281202600000000,  0.0000000000000000 ]  - [   0.0005966900000000, -0.0009411500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002204300000000,  0.0000000000000000 ]  - [  -0.0005966900000000, -0.0009411500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0070269100000000,  0.0000000000000000 ]  - [   0.0006045000000000, -0.0012064300000000,  0.0000000000000000 ]  - [  -0.0006045000000000, -0.0012064300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0023044600000000, -0.0059671400000000 ]  - [  -0.0003011200000000, -0.0001242100000000,  0.0000484700000000 ]  - [   0.0003011200000000, -0.0001242100000000,  0.0000484700000000 ]  - [   0.0000000000000000, -0.0031352800000000, -0.0001053500000000 ]  - [  -0.0004972400000000, -0.0006780400000000, -0.0003239400000000 ]  - [   0.0004972400000000, -0.0006780400000000, -0.0003239400000000 ]  - [   0.0000000000000000,  0.0023044600000000,  0.0059671400000000 ]  - [  -0.0003011200000000, -0.0001242100000000, -0.0000484700000000 ]  - [   0.0003011200000000, -0.0001242100000000, -0.0000484700000000 ]  - [   0.0000000000000000, -0.0031352800000000,  0.0001053500000000 ]  - [  -0.0004972400000000, -0.0006780400000000,  0.0003239400000000 ]  - [   0.0004972400000000, -0.0006780400000000,  0.0003239400000000 ]  - [   0.0000000000000000, -0.0601398400000000,  0.0000000000000000 ]  - [   0.0074663100000000, -0.0043226800000000,  0.0000000000000000 ]  - [  -0.0074663100000000, -0.0043226800000000,  0.0000000000000000 ]  - [   0.0045948700000000,  0.0029033300000000, -0.0049728400000000 ]  - [   0.0000000000000000,  0.0005483400000000, -0.0009362700000000 ]  - [  -0.0045948700000000,  0.0029033300000000, -0.0049728400000000 ]  - [  -0.0011927700000000, -0.0010712400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004882500000000,  0.0000000000000000 ]  - [   0.0011927700000000, -0.0010712400000000,  0.0000000000000000 ]  - [  -0.0075145500000000, -0.0053901800000000,  0.0030718700000000 ]  - [   0.0000000000000000, -0.0005543400000000, -0.0012517800000000 ]  - [   0.0075145500000000, -0.0053901800000000,  0.0030718700000000 ]  - [   0.0045948700000000,  0.0029033300000000,  0.0049728400000000 ]  - [   0.0000000000000000,  0.0005483400000000,  0.0009362700000000 ]  - [  -0.0045948700000000,  0.0029033300000000,  0.0049728400000000 ]  - [  -0.0075145500000000, -0.0053901800000000, -0.0030718700000000 ]  - [   0.0000000000000000, -0.0005543400000000,  0.0012517800000000 ]  - [   0.0075145500000000, -0.0053901800000000, -0.0030718700000000 ]  - [  -0.0001224400000000,  0.0001923000000000,  0.0007877200000000 ]  - [   0.0000000000000000,  0.0001743100000000,  0.0001876600000000 ]  - [   0.0001224400000000,  0.0001923000000000,  0.0007877200000000 ]  - [  -0.0007883700000000,  0.0007503800000000, -0.0002713500000000 ]  - [   0.0000000000000000,  0.0001435800000000, -0.0002249600000000 ]  - [   0.0007883700000000,  0.0007503800000000, -0.0002713500000000 ]  - [  -0.0001224400000000,  0.0001923000000000, -0.0007877200000000 ]  - [   0.0000000000000000,  0.0001743100000000, -0.0001876600000000 ]  - [   0.0001224400000000,  0.0001923000000000, -0.0007877200000000 ]  - [  -0.0007883700000000,  0.0007503800000000,  0.0002713500000000 ]  - [   0.0000000000000000,  0.0001435800000000,  0.0002249600000000 ]  - [   0.0007883700000000,  0.0007503800000000,  0.0002713500000000 ]  - [  -0.0010179600000000,  0.0013630600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005362200000000,  0.0000000000000000 ]  - [   0.0010179600000000,  0.0013630600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0059770100000000,  0.0003838000000000 ]  - [  -0.0003440700000000,  0.0002929100000000, -0.0001937300000000 ]  - [   0.0003440700000000,  0.0002929100000000, -0.0001937300000000 ]  - [   0.0000000000000000,  0.0008812400000000,  0.0000000000000000 ]  - [  -0.0002358200000000, -0.0000293600000000,  0.0000000000000000 ]  - [   0.0002358200000000, -0.0000293600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0027481200000000,  0.0004970400000000 ]  - [   0.0000997800000000,  0.0008223500000000,  0.0001748000000000 ]  - [  -0.0000997800000000,  0.0008223500000000,  0.0001748000000000 ]  - [   0.0000000000000000,  0.0059770100000000, -0.0003838000000000 ]  - [  -0.0003440700000000,  0.0002929100000000,  0.0001937300000000 ]  - [   0.0003440700000000,  0.0002929100000000,  0.0001937300000000 ]  - [   0.0000000000000000,  0.0027481200000000, -0.0004970400000000 ]  - [   0.0000997800000000,  0.0008223500000000, -0.0001748000000000 ]  - [  -0.0000997800000000,  0.0008223500000000, -0.0001748000000000 ]- atom:   49  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0077917700000000,  0.0052587700000000 ]  - [  -0.0025475900000000, -0.0006728200000000, -0.0011889400000000 ]  - [   0.0025475900000000, -0.0006728200000000, -0.0011889400000000 ]  - [   0.0000000000000000, -0.0077917700000000, -0.0052587700000000 ]  - [  -0.0025475900000000, -0.0006728200000000,  0.0011889400000000 ]  - [   0.0025475900000000, -0.0006728200000000,  0.0011889400000000 ]  - [  -0.0003270800000000, -0.0033835900000000,  0.0024635400000000 ]  - [   0.0000000000000000, -0.0003854300000000,  0.0009425900000000 ]  - [   0.0003270800000000, -0.0033835900000000,  0.0024635400000000 ]  - [  -0.0003270800000000, -0.0033835900000000, -0.0024635400000000 ]  - [   0.0000000000000000, -0.0003854300000000, -0.0009425900000000 ]  - [   0.0003270800000000, -0.0033835900000000, -0.0024635400000000 ]  - [  -0.0001897700000000,  0.0038151900000000, -0.0012401600000000 ]  - [   0.0000000000000000,  0.0009017800000000, -0.0003339200000000 ]  - [   0.0001897700000000,  0.0038151900000000, -0.0012401600000000 ]  - [  -0.0001897700000000,  0.0038151900000000,  0.0012401600000000 ]  - [   0.0000000000000000,  0.0009017800000000,  0.0003339200000000 ]  - [   0.0001897700000000,  0.0038151900000000,  0.0012401600000000 ]  - [   0.0000000000000000,  0.0036947300000000, -0.0006567600000000 ]  - [  -0.0004883000000000,  0.0004197200000000,  0.0001149900000000 ]  - [   0.0004883000000000,  0.0004197200000000,  0.0001149900000000 ]  - [   0.0000000000000000,  0.0036947300000000,  0.0006567600000000 ]  - [  -0.0004883000000000,  0.0004197200000000, -0.0001149900000000 ]  - [   0.0004883000000000,  0.0004197200000000, -0.0001149900000000 ]  - [   0.0000000000000000, -0.0048519200000000,  0.0000000000000000 ]  - [  -0.0008518700000000, -0.0000380700000000,  0.0000000000000000 ]  - [   0.0008518700000000, -0.0000380700000000,  0.0000000000000000 ]  - [  -0.0024256200000000, -0.0287484500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009086800000000,  0.0000000000000000 ]  - [   0.0024256200000000, -0.0287484500000000,  0.0000000000000000 ]  - [  -0.0006019600000000,  0.0015205900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0007986500000000,  0.0000000000000000 ]  - [   0.0006019600000000,  0.0015205900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0064912100000000,  0.0000000000000000 ]  - [  -0.0006126700000000,  0.0006273200000000,  0.0000000000000000 ]  - [   0.0006126700000000,  0.0006273200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0024100200000000,  0.0058105100000000 ]  - [   0.0003019500000000,  0.0000397800000000, -0.0002461100000000 ]  - [  -0.0003019500000000,  0.0000397800000000, -0.0002461100000000 ]  - [   0.0000000000000000,  0.0028430900000000, -0.0001945500000000 ]  - [   0.0004980800000000,  0.0003706500000000,  0.0000249600000000 ]  - [  -0.0004980800000000,  0.0003706500000000,  0.0000249600000000 ]  - [   0.0000000000000000, -0.0024100200000000, -0.0058105100000000 ]  - [   0.0003019500000000,  0.0000397800000000,  0.0002461100000000 ]  - [  -0.0003019500000000,  0.0000397800000000,  0.0002461100000000 ]  - [   0.0000000000000000,  0.0028430900000000,  0.0001945500000000 ]  - [   0.0004980800000000,  0.0003706500000000, -0.0000249600000000 ]  - [  -0.0004980800000000,  0.0003706500000000, -0.0000249600000000 ]  - [   0.0000000000000000,  0.0608878900000000,  0.0000000000000000 ]  - [  -0.0074665700000000,  0.0047137700000000,  0.0000000000000000 ]  - [   0.0074665700000000,  0.0047137700000000,  0.0000000000000000 ]  - [  -0.0045546900000000, -0.0028213100000000,  0.0047685300000000 ]  - [   0.0000000000000000, -0.0004653600000000,  0.0007449200000000 ]  - [   0.0045546900000000, -0.0028213100000000,  0.0047685300000000 ]  - [   0.0011988900000000,  0.0007029500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001194100000000,  0.0000000000000000 ]  - [  -0.0011988900000000,  0.0007029500000000,  0.0000000000000000 ]  - [   0.0074850000000000,  0.0057566000000000, -0.0027292100000000 ]  - [   0.0000000000000000,  0.0008571700000000,  0.0015582300000000 ]  - [  -0.0074850000000000,  0.0057566000000000, -0.0027292100000000 ]  - [  -0.0045546900000000, -0.0028213100000000, -0.0047685300000000 ]  - [   0.0000000000000000, -0.0004653600000000, -0.0007449200000000 ]  - [   0.0045546900000000, -0.0028213100000000, -0.0047685300000000 ]  - [   0.0074850000000000,  0.0057566000000000,  0.0027292100000000 ]  - [   0.0000000000000000,  0.0008571700000000, -0.0015582300000000 ]  - [  -0.0074850000000000,  0.0057566000000000,  0.0027292100000000 ]  - [   0.0001232000000000, -0.0002859200000000, -0.0009834900000000 ]  - [   0.0000000000000000, -0.0002664700000000, -0.0003840600000000 ]  - [  -0.0001232000000000, -0.0002859200000000, -0.0009834900000000 ]  - [   0.0007947000000000, -0.0010575900000000, -0.0000321700000000 ]  - [   0.0000000000000000, -0.0004490600000000, -0.0000772200000000 ]  - [  -0.0007947000000000, -0.0010575900000000, -0.0000321700000000 ]  - [   0.0001232000000000, -0.0002859200000000,  0.0009834900000000 ]  - [   0.0000000000000000, -0.0002664700000000,  0.0003840600000000 ]  - [  -0.0001232000000000, -0.0002859200000000,  0.0009834900000000 ]  - [   0.0007947000000000, -0.0010575900000000,  0.0000321700000000 ]  - [   0.0000000000000000, -0.0004490600000000,  0.0000772200000000 ]  - [  -0.0007947000000000, -0.0010575900000000,  0.0000321700000000 ]  - [   0.0010287700000000, -0.0009959400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001661200000000,  0.0000000000000000 ]  - [  -0.0010287700000000, -0.0009959400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0059242400000000, -0.0005959500000000 ]  - [   0.0003466200000000, -0.0001957700000000, -0.0000034700000000 ]  - [  -0.0003466200000000, -0.0001957700000000, -0.0000034700000000 ]  - [   0.0000000000000000, -0.0012569000000000,  0.0000000000000000 ]  - [   0.0002390900000000, -0.0003401900000000,  0.0000000000000000 ]  - [  -0.0002390900000000, -0.0003401900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0024505500000000, -0.0002007000000000 ]  - [  -0.0000962800000000, -0.0005155900000000,  0.0001270900000000 ]  - [   0.0000962800000000, -0.0005155900000000,  0.0001270900000000 ]  - [   0.0000000000000000, -0.0059242400000000,  0.0005959500000000 ]  - [   0.0003466200000000, -0.0001957700000000,  0.0000034700000000 ]  - [  -0.0003466200000000, -0.0001957700000000,  0.0000034700000000 ]  - [   0.0000000000000000, -0.0024505500000000,  0.0002007000000000 ]  - [  -0.0000962800000000, -0.0005155900000000, -0.0001270900000000 ]  - [   0.0000962800000000, -0.0005155900000000, -0.0001270900000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0046883500000000,  0.0030839100000000 ]  - [   0.0034535500000000, -0.0010577500000000,  0.0003823300000000 ]  - [  -0.0034535500000000, -0.0010577500000000,  0.0003823300000000 ]  - [   0.0000000000000000,  0.0041427700000000,  0.0038106500000000 ]  - [  -0.0034643100000000,  0.0010870700000000,  0.0003856400000000 ]  - [   0.0034643100000000,  0.0010870700000000,  0.0003856400000000 ]  - [  -0.0021863100000000, -0.0028333200000000, -0.0038778000000000 ]  - [   0.0000000000000000, -0.0006405400000000, -0.0004222900000000 ]  - [   0.0021863100000000, -0.0028333200000000, -0.0038778000000000 ]  - [   0.0021589700000000,  0.0027660900000000, -0.0039050800000000 ]  - [   0.0000000000000000,  0.0005951100000000, -0.0004441000000000 ]  - [  -0.0021589700000000,  0.0027660900000000, -0.0039050800000000 ]  - [   0.0003204900000000,  0.0013980200000000,  0.0001526700000000 ]  - [   0.0000000000000000,  0.0001201600000000,  0.0001581700000000 ]  - [  -0.0003204900000000,  0.0013980200000000,  0.0001526700000000 ]  - [  -0.0003229800000000, -0.0013292100000000,  0.0001486400000000 ]  - [   0.0000000000000000, -0.0000688400000000,  0.0001476100000000 ]  - [   0.0003229800000000, -0.0013292100000000,  0.0001486400000000 ]  - [   0.0000000000000000,  0.0023127800000000, -0.0010459400000000 ]  - [  -0.0003300000000000,  0.0003858500000000, -0.0003900200000000 ]  - [   0.0003300000000000,  0.0003858500000000, -0.0003900200000000 ]  - [   0.0000000000000000, -0.0023261200000000, -0.0010594600000000 ]  - [   0.0003252100000000, -0.0004269000000000, -0.0004055000000000 ]  - [  -0.0003252100000000, -0.0004269000000000, -0.0004055000000000 ]  - [   0.0000000000000000,  0.0002748000000000, -0.0111210300000000 ]  - [  -0.0000055400000000,  0.0002856600000000, -0.0031278300000000 ]  - [   0.0000055400000000,  0.0002856600000000, -0.0031278300000000 ]  - [  -0.0000071000000000, -0.0003118700000000,  0.0251273900000000 ]  - [   0.0000000000000000, -0.0002786500000000,  0.0023381400000000 ]  - [   0.0000071000000000, -0.0003118700000000,  0.0251273900000000 ]  - [  -0.0000027200000000,  0.0002911500000000, -0.0024216600000000 ]  - [   0.0000000000000000,  0.0002894900000000, -0.0010022500000000 ]  - [   0.0000027200000000,  0.0002911500000000, -0.0024216600000000 ]  - [   0.0000000000000000, -0.0002695600000000,  0.0058582300000000 ]  - [  -0.0000022300000000, -0.0002859000000000,  0.0019408400000000 ]  - [   0.0000022300000000, -0.0002859000000000,  0.0019408400000000 ]  - [   0.0000000000000000, -0.0025985100000000,  0.0105018000000000 ]  - [   0.0002449500000000, -0.0001227000000000,  0.0011033700000000 ]  - [  -0.0002449500000000, -0.0001227000000000,  0.0011033700000000 ]  - [   0.0000000000000000, -0.0011932800000000,  0.0053699600000000 ]  - [  -0.0010661200000000, -0.0000765000000000,  0.0012818400000000 ]  - [   0.0010661200000000, -0.0000765000000000,  0.0012818400000000 ]  - [   0.0000000000000000,  0.0024807400000000,  0.0106184900000000 ]  - [  -0.0002423700000000,  0.0000345500000000,  0.0013009100000000 ]  - [   0.0002423700000000,  0.0000345500000000,  0.0013009100000000 ]  - [   0.0000000000000000,  0.0009120800000000,  0.0057022900000000 ]  - [   0.0010711700000000, -0.0002275100000000,  0.0015802300000000 ]  - [  -0.0010711700000000, -0.0002275100000000,  0.0015802300000000 ]  - [   0.0000000000000000,  0.0009219500000000, -0.0841073900000000 ]  - [  -0.0000393200000000,  0.0002082900000000, -0.0016792700000000 ]  - [   0.0000393200000000,  0.0002082900000000, -0.0016792700000000 ]  - [  -0.0030897800000000, -0.0020206700000000, -0.0016089100000000 ]  - [   0.0000000000000000,  0.0000789600000000, -0.0006559700000000 ]  - [   0.0030897800000000, -0.0020206700000000, -0.0016089100000000 ]  - [   0.0000094000000000, -0.0001822000000000,  0.0020925800000000 ]  - [   0.0000000000000000, -0.0001834900000000,  0.0008635500000000 ]  - [  -0.0000094000000000, -0.0001822000000000,  0.0020925800000000 ]  - [  -0.0157148800000000,  0.0025405700000000,  0.0062324400000000 ]  - [   0.0000000000000000, -0.0010477300000000, -0.0005476800000000 ]  - [   0.0157148800000000,  0.0025405700000000,  0.0062324400000000 ]  - [   0.0030946200000000,  0.0020859100000000, -0.0014676700000000 ]  - [   0.0000000000000000,  0.0000030900000000, -0.0004701700000000 ]  - [  -0.0030946200000000,  0.0020859100000000, -0.0014676700000000 ]  - [   0.0158665900000000, -0.0022525600000000,  0.0059237300000000 ]  - [   0.0000000000000000,  0.0013614700000000, -0.0008651100000000 ]  - [  -0.0158665900000000, -0.0022525600000000,  0.0059237300000000 ]  - [   0.0001120600000000,  0.0012942100000000,  0.0009391400000000 ]  - [   0.0000000000000000,  0.0003363100000000,  0.0002448100000000 ]  - [  -0.0001120600000000,  0.0012942100000000,  0.0009391400000000 ]  - [  -0.0003847300000000,  0.0001277700000000,  0.0004843800000000 ]  - [   0.0000000000000000,  0.0000335300000000,  0.0001281900000000 ]  - [   0.0003847300000000,  0.0001277700000000,  0.0004843800000000 ]  - [  -0.0001103200000000, -0.0013849200000000,  0.0011406000000000 ]  - [   0.0000000000000000, -0.0004276900000000,  0.0004424400000000 ]  - [   0.0001103200000000, -0.0013849200000000,  0.0011406000000000 ]  - [   0.0003916600000000, -0.0004398900000000,  0.0007854700000000 ]  - [   0.0000000000000000, -0.0003415100000000,  0.0004297300000000 ]  - [  -0.0003916600000000, -0.0004398900000000,  0.0007854700000000 ]  - [   0.0000041100000000,  0.0001817400000000, -0.0007529400000000 ]  - [   0.0000000000000000,  0.0001841400000000, -0.0003869800000000 ]  - [  -0.0000041100000000,  0.0001817400000000, -0.0007529400000000 ]  - [   0.0000000000000000,  0.0060293100000000, -0.0030457600000000 ]  - [  -0.0001731700000000,  0.0012163100000000, -0.0008148400000000 ]  - [   0.0001731700000000,  0.0012163100000000, -0.0008148400000000 ]  - [   0.0000000000000000, -0.0001889900000000,  0.0009014100000000 ]  - [   0.0000014900000000, -0.0001856800000000,  0.0004499200000000 ]  - [  -0.0000014900000000, -0.0001856800000000,  0.0004499200000000 ]  - [   0.0000000000000000,  0.0001242900000000, -0.0007639300000000 ]  - [  -0.0002743100000000, -0.0000566100000000, -0.0002176700000000 ]  - [   0.0002743100000000, -0.0000566100000000, -0.0002176700000000 ]  - [   0.0000000000000000, -0.0059934400000000, -0.0028801700000000 ]  - [   0.0001749400000000, -0.0011268900000000, -0.0006214600000000 ]  - [  -0.0001749400000000, -0.0011268900000000, -0.0006214600000000 ]  - [   0.0000000000000000,  0.0001652500000000, -0.0010633800000000 ]  - [   0.0002744200000000,  0.0003581000000000, -0.0005203300000000 ]  - [  -0.0002744200000000,  0.0003581000000000, -0.0005203300000000 ]