# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/64e327d2-4524-4938-b933-1d2c8628af48/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 Nb3TeI7 / P6_3mc (186) / materials id 29689](https://mdr.nims.go.jp/datasets/d123c3bf-96fb-4152-b49d-4e7f07dcf334)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3mc"  number: 186  Hall_symbol: "P 6c -2c"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     7.575970510000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.787985250000000,     6.560982910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.879668320000000 ] # c  points:  - symbol: Nb # 1    coordinates: [  0.866632890000000,  0.133367110000000,  0.249626430000000 ]    mass: 92.906380  - symbol: Nb # 2    coordinates: [  0.733265800000000,  0.866632890000000,  0.749626430000000 ]    mass: 92.906380  - symbol: Nb # 3    coordinates: [  0.133367110000000,  0.266734200000000,  0.749626430000000 ]    mass: 92.906380  - symbol: Nb # 4    coordinates: [  0.866632890000000,  0.733265800000000,  0.249626430000000 ]    mass: 92.906380  - symbol: Nb # 5    coordinates: [  0.266734200000000,  0.133367110000000,  0.249626430000000 ]    mass: 92.906380  - symbol: Nb # 6    coordinates: [  0.133367110000000,  0.866632890000000,  0.749626430000000 ]    mass: 92.906380  - symbol: Te # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.100538480000000 ]    mass: 127.600000  - symbol: Te # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.600538480000000 ]    mass: 127.600000  - symbol: I  # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.353067640000000 ]    mass: 126.904470  - symbol: I  # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.853067640000000 ]    mass: 126.904470  - symbol: I  # 11    coordinates: [  0.169125240000000,  0.830874760000000,  0.381824710000000 ]    mass: 126.904470  - symbol: I  # 12    coordinates: [  0.338250470000000,  0.169125240000000,  0.881824710000000 ]    mass: 126.904470  - symbol: I  # 13    coordinates: [  0.830874760000000,  0.661749530000000,  0.881824710000000 ]    mass: 126.904470  - symbol: I  # 14    coordinates: [  0.169125240000000,  0.338250470000000,  0.381824710000000 ]    mass: 126.904470  - symbol: I  # 15    coordinates: [  0.661749530000000,  0.830874760000000,  0.381824710000000 ]    mass: 126.904470  - symbol: I  # 16    coordinates: [  0.830874760000000,  0.169125240000000,  0.881824710000000 ]    mass: 126.904470  - symbol: I  # 17    coordinates: [  0.497963690000000,  0.502036310000000,  0.139080140000000 ]    mass: 126.904470  - symbol: I  # 18    coordinates: [  0.995927380000000,  0.497963690000000,  0.639080140000000 ]    mass: 126.904470  - symbol: I  # 19    coordinates: [  0.502036310000000,  0.004072620000000,  0.639080140000000 ]    mass: 126.904470  - symbol: I  # 20    coordinates: [  0.497963690000000,  0.995927380000000,  0.139080140000000 ]    mass: 126.904470  - symbol: I  # 21    coordinates: [  0.004072620000000,  0.502036310000000,  0.139080140000000 ]    mass: 126.904470  - symbol: I  # 22    coordinates: [  0.502036310000000,  0.497963690000000,  0.639080140000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.131996289938040,     0.076208093543109,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.152416187287401,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.072047831183332 ] # c*unit_cell:  lattice:  - [     7.575970510000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.787985250000000,     6.560982910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.879668320000000 ] # c  points:  - symbol: Nb # 1    coordinates: [  0.866632890000000,  0.133367110000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 1  - symbol: Nb # 2    coordinates: [  0.733265800000000,  0.866632890000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 2  - symbol: Nb # 3    coordinates: [  0.133367110000000,  0.266734200000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 3  - symbol: Nb # 4    coordinates: [  0.866632890000000,  0.733265800000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 4  - symbol: Nb # 5    coordinates: [  0.266734200000000,  0.133367110000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 5  - symbol: Nb # 6    coordinates: [  0.133367110000000,  0.866632890000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 6  - symbol: Te # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.100538480000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.600538480000000 ]    mass: 127.600000    reduced_to: 8  - symbol: I  # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.353067640000000 ]    mass: 126.904470    reduced_to: 9  - symbol: I  # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.853067640000000 ]    mass: 126.904470    reduced_to: 10  - symbol: I  # 11    coordinates: [  0.169125240000000,  0.830874760000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 11  - symbol: I  # 12    coordinates: [  0.338250470000000,  0.169125240000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 12  - symbol: I  # 13    coordinates: [  0.830874760000000,  0.661749530000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 13  - symbol: I  # 14    coordinates: [  0.169125240000000,  0.338250470000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 14  - symbol: I  # 15    coordinates: [  0.661749530000000,  0.830874760000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 15  - symbol: I  # 16    coordinates: [  0.830874760000000,  0.169125240000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 16  - symbol: I  # 17    coordinates: [  0.497963690000000,  0.502036310000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 18    coordinates: [  0.995927380000000,  0.497963690000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 18  - symbol: I  # 19    coordinates: [  0.502036310000000,  0.004072620000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 19  - symbol: I  # 20    coordinates: [  0.497963690000000,  0.995927380000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 20  - symbol: I  # 21    coordinates: [  0.004072620000000,  0.502036310000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 21  - symbol: I  # 22    coordinates: [  0.502036310000000,  0.497963690000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 22supercell:  lattice:  - [    15.151941020000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.575970500000000,    13.121965820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.879668320000000 ] # c  points:  - symbol: Nb # 1    coordinates: [  0.433316445000000,  0.066683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 1  - symbol: Nb # 2    coordinates: [  0.933316445000000,  0.066683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 1  - symbol: Nb # 3    coordinates: [  0.433316445000000,  0.566683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 1  - symbol: Nb # 4    coordinates: [  0.933316445000000,  0.566683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 1  - symbol: Nb # 5    coordinates: [  0.366632900000000,  0.433316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 5  - symbol: Nb # 6    coordinates: [  0.866632900000000,  0.433316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 5  - symbol: Nb # 7    coordinates: [  0.366632900000000,  0.933316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 5  - symbol: Nb # 8    coordinates: [  0.866632900000000,  0.933316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 5  - symbol: Nb # 9    coordinates: [  0.066683555000000,  0.133367100000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 9  - symbol: Nb # 10    coordinates: [  0.566683555000000,  0.133367100000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 9  - symbol: Nb # 11    coordinates: [  0.066683555000000,  0.633367100000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 9  - symbol: Nb # 12    coordinates: [  0.566683555000000,  0.633367100000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 9  - symbol: Nb # 13    coordinates: [  0.433316445000000,  0.366632900000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 13  - symbol: Nb # 14    coordinates: [  0.933316445000000,  0.366632900000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 13  - symbol: Nb # 15    coordinates: [  0.433316445000000,  0.866632900000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 13  - symbol: Nb # 16    coordinates: [  0.933316445000000,  0.866632900000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 13  - symbol: Nb # 17    coordinates: [  0.133367100000000,  0.066683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 17  - symbol: Nb # 18    coordinates: [  0.633367100000000,  0.066683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 17  - symbol: Nb # 19    coordinates: [  0.133367100000000,  0.566683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 17  - symbol: Nb # 20    coordinates: [  0.633367100000000,  0.566683555000000,  0.249626430000000 ]    mass: 92.906380    reduced_to: 17  - symbol: Nb # 21    coordinates: [  0.066683555000000,  0.433316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 21  - symbol: Nb # 22    coordinates: [  0.566683555000000,  0.433316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 21  - symbol: Nb # 23    coordinates: [  0.066683555000000,  0.933316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 21  - symbol: Nb # 24    coordinates: [  0.566683555000000,  0.933316445000000,  0.749626430000000 ]    mass: 92.906380    reduced_to: 21  - symbol: Te # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.100538480000000 ]    mass: 127.600000    reduced_to: 25  - symbol: Te # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.100538480000000 ]    mass: 127.600000    reduced_to: 25  - symbol: Te # 27    coordinates: [  0.000000000000000,  0.500000000000000,  0.100538480000000 ]    mass: 127.600000    reduced_to: 25  - symbol: Te # 28    coordinates: [  0.500000000000000,  0.500000000000000,  0.100538480000000 ]    mass: 127.600000    reduced_to: 25  - symbol: Te # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.600538480000000 ]    mass: 127.600000    reduced_to: 29  - symbol: Te # 30    coordinates: [  0.500000000000000,  0.000000000000000,  0.600538480000000 ]    mass: 127.600000    reduced_to: 29  - symbol: Te # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.600538480000000 ]    mass: 127.600000    reduced_to: 29  - symbol: Te # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.600538480000000 ]    mass: 127.600000    reduced_to: 29  - symbol: I  # 33    coordinates: [  0.333333335000000,  0.166666665000000,  0.353067640000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 34    coordinates: [  0.833333335000000,  0.166666665000000,  0.353067640000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 35    coordinates: [  0.333333335000000,  0.666666665000000,  0.353067640000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 36    coordinates: [  0.833333335000000,  0.666666665000000,  0.353067640000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 37    coordinates: [  0.166666665000000,  0.333333335000000,  0.853067640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.666666665000000,  0.333333335000000,  0.853067640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.166666665000000,  0.833333335000000,  0.853067640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.666666665000000,  0.833333335000000,  0.853067640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.084562620000000,  0.415437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 42    coordinates: [  0.584562620000000,  0.415437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 43    coordinates: [  0.084562620000000,  0.915437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 44    coordinates: [  0.584562620000000,  0.915437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 45    coordinates: [  0.169125235000000,  0.084562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 46    coordinates: [  0.669125235000000,  0.084562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 47    coordinates: [  0.169125235000000,  0.584562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 48    coordinates: [  0.669125235000000,  0.584562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 49    coordinates: [  0.415437380000000,  0.330874765000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.915437380000000,  0.330874765000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.415437380000000,  0.830874765000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.915437380000000,  0.830874765000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 53    coordinates: [  0.084562620000000,  0.169125235000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 54    coordinates: [  0.584562620000000,  0.169125235000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 55    coordinates: [  0.084562620000000,  0.669125235000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 56    coordinates: [  0.584562620000000,  0.669125235000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 57    coordinates: [  0.330874765000000,  0.415437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 58    coordinates: [  0.830874765000000,  0.415437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 59    coordinates: [  0.330874765000000,  0.915437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 60    coordinates: [  0.830874765000000,  0.915437380000000,  0.381824710000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 61    coordinates: [  0.415437380000000,  0.084562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 62    coordinates: [  0.915437380000000,  0.084562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 63    coordinates: [  0.415437380000000,  0.584562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 64    coordinates: [  0.915437380000000,  0.584562620000000,  0.881824710000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 65    coordinates: [  0.248981845000000,  0.251018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 66    coordinates: [  0.748981845000000,  0.251018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 67    coordinates: [  0.248981845000000,  0.751018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 68    coordinates: [  0.748981845000000,  0.751018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 69    coordinates: [  0.497963690000000,  0.248981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 70    coordinates: [  0.997963690000000,  0.248981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 71    coordinates: [  0.497963690000000,  0.748981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 72    coordinates: [  0.997963690000000,  0.748981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 73    coordinates: [  0.251018155000000,  0.002036310000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.751018155000000,  0.002036310000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 75    coordinates: [  0.251018155000000,  0.502036310000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 76    coordinates: [  0.751018155000000,  0.502036310000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 77    coordinates: [  0.248981845000000,  0.497963690000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 78    coordinates: [  0.748981845000000,  0.497963690000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 79    coordinates: [  0.248981845000000,  0.997963690000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 80    coordinates: [  0.748981845000000,  0.997963690000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 81    coordinates: [  0.002036310000000,  0.251018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 81  - symbol: I  # 82    coordinates: [  0.502036310000000,  0.251018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 81  - symbol: I  # 83    coordinates: [  0.002036310000000,  0.751018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 81  - symbol: I  # 84    coordinates: [  0.502036310000000,  0.751018155000000,  0.139080140000000 ]    mass: 126.904470    reduced_to: 81  - symbol: I  # 85    coordinates: [  0.251018155000000,  0.248981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 86    coordinates: [  0.751018155000000,  0.248981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 87    coordinates: [  0.251018155000000,  0.748981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 88    coordinates: [  0.751018155000000,  0.748981845000000,  0.639080140000000 ]    mass: 126.904470    reduced_to: 85born_effective_charge:- # 1 (Nb)  - [  2.421013950000000, -0.406906870000000,  1.389041790000000 ]  - [ -0.406906860000000,  1.951158370000000, -0.801963650000000 ]  - [  0.232412710000000, -0.134183540000000,  1.069231750000000 ]- # 2 (Nb)  - [  2.421013947064285,  0.406906860456816,  1.389041786838320 ]  - [  0.406906872933056,  1.951158372935715,  0.801963653359065 ]  - [  0.232412709739908,  0.134183540804728,  1.069231750000000 ]- # 3 (Nb)  - [  1.716230582935715, -0.000000007851098,  0.000000003161680 ]  - [  0.000000004461226,  2.655941737064285, -1.603927303359066 ]  - [  0.000000000260093, -0.268367080804728,  1.069231750000000 ]- # 4 (Nb)  - [  1.716230582935715, -0.000000007851098, -0.000000003161680 ]  - [  0.000000004461226,  2.655941737064285,  1.603927303359066 ]  - [ -0.000000000260093,  0.268367080804728,  1.069231750000000 ]- # 5 (Nb)  - [  2.421013947064285,  0.406906860456816, -1.389041786838320 ]  - [  0.406906872933056,  1.951158372935715, -0.801963653359065 ]  - [ -0.232412709739908, -0.134183540804728,  1.069231750000000 ]- # 6 (Nb)  - [  2.421013950000000, -0.406906870000000, -1.389041790000000 ]  - [ -0.406906860000000,  1.951158370000000,  0.801963650000000 ]  - [ -0.232412710000000,  0.134183540000000,  1.069231750000000 ]- # 7 (Te)  - [  0.067811700000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.067811700000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.345303950000000 ]- # 8 (Te)  - [  0.067811700000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.067811700000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.345303950000000 ]- # 9 (I)  - [ -0.641882720000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.641882720000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.081972600000000 ]- # 10 (I)  - [ -0.641882720000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.641882720000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.081972600000000 ]- # 11 (I)  - [ -0.594947500000000,  0.055985770000000, -0.322802770000000 ]  - [  0.055985770000000, -0.530300700000000,  0.186370270000000 ]  - [ -0.709724720000000,  0.409759760000000, -0.358449280000000 ]- # 12 (I)  - [ -0.594947499070433, -0.055985770366335, -0.322802772871568 ]  - [ -0.055985770707037, -0.530300700929567, -0.186370264534294 ]  - [ -0.709724722616901, -0.409759756549131, -0.358449280000000 ]- # 13 (I)  - [ -0.497977300929567,  0.000000000695761,  0.000000002871568 ]  - [  0.000000000377611, -0.627270899070433,  0.372740534534294 ]  - [  0.000000002616900,  0.819519516549131, -0.358449280000000 ]- # 14 (I)  - [ -0.497977300929567,  0.000000000695761, -0.000000002871568 ]  - [  0.000000000377611, -0.627270899070433, -0.372740534534294 ]  - [ -0.000000002616900, -0.819519516549131, -0.358449280000000 ]- # 15 (I)  - [ -0.594947499070433, -0.055985770366335,  0.322802772871568 ]  - [ -0.055985770707037, -0.530300700929567,  0.186370264534294 ]  - [  0.709724722616901,  0.409759756549131, -0.358449280000000 ]- # 16 (I)  - [ -0.594947500000000,  0.055985770000000,  0.322802770000000 ]  - [  0.055985770000000, -0.530300700000000, -0.186370270000000 ]  - [  0.709724720000000, -0.409759760000000, -0.358449280000000 ]- # 17 (I)  - [ -1.089538190000000, -0.593343220000000,  0.182575380000000 ]  - [ -0.593343220000000, -1.774671920000000, -0.105409940000000 ]  - [  0.089731060000000, -0.051806250000000, -0.623005350000000 ]- # 18 (I)  - [ -1.089538185816741,  0.593343215779393,  0.182575375592014 ]  - [  0.593343219390196, -1.774671924183259,  0.105409947356582 ]  - [  0.089731058702286,  0.051806252384471, -0.623005350000000 ]- # 19 (I)  - [ -2.117238789183259,  0.000000000729314,  0.000000004407986 ]  - [  0.000000004101097, -0.746971320816741, -0.210819887356582 ]  - [  0.000000001297714, -0.103612502384471, -0.623005350000000 ]- # 20 (I)  - [ -2.117238789183259,  0.000000000729314, -0.000000004407986 ]  - [  0.000000004101097, -0.746971320816741,  0.210819887356582 ]  - [ -0.000000001297714,  0.103612502384471, -0.623005350000000 ]- # 21 (I)  - [ -1.089538185816741,  0.593343215779393, -0.182575375592014 ]  - [  0.593343219390196, -1.774671924183259, -0.105409947356582 ]  - [ -0.089731058702286, -0.051806252384471, -0.623005350000000 ]- # 22 (I)  - [ -1.089538190000000, -0.593343220000000, -0.182575380000000 ]  - [ -0.593343220000000, -1.774671920000001,  0.105409940000000 ]  - [ -0.089731060000000,  0.051806250000000, -0.623005350000000 ]dielectric_constant:  - [ 11.453006700000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 11.453006700000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  9.759248890000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1215454600000000,  0.0031101100000000,  0.0166702800000000 ]  - [  -0.0004853100000000, -0.0010362900000000,  0.0021714900000000 ]  - [   0.0003194700000000, -0.0005540300000000,  0.0021515600000000 ]  - [  -0.0000656600000000,  0.0012703800000000,  0.0011994400000000 ]  - [   0.0006502500000000,  0.0001034000000000,  0.0021131100000000 ]  - [   0.0006546700000000,  0.0007617900000000,  0.0022318800000000 ]  - [  -0.0007570300000000,  0.0000019600000000,  0.0013361100000000 ]  - [   0.0010901000000000,  0.0004108900000000,  0.0023621700000000 ]  - [   0.0002639100000000, -0.0009916000000000,  0.0023939500000000 ]  - [  -0.0000289400000000,  0.0004188400000000,  0.0019644400000000 ]  - [  -0.0003039100000000, -0.0006530800000000,  0.0021763400000000 ]  - [   0.0002509900000000, -0.0008766600000000,  0.0022510200000000 ]  - [  -0.0000375300000000, -0.0035301100000000,  0.0030298200000000 ]  - [   0.0010840800000000,  0.0000426200000000,  0.0013160700000000 ]  - [   0.0085165700000000, -0.0101670500000000,  0.0044430100000000 ]  - [  -0.0002404000000000,  0.0008191300000000,  0.0021921000000000 ]  - [   0.0084314400000000, -0.0013846200000000,  0.0001762200000000 ]  - [   0.0204364200000000,  0.0034238600000000,  0.0021307500000000 ]  - [  -0.0003742200000000, -0.0007448400000000,  0.0024221900000000 ]  - [  -0.0003598900000000,  0.0008085800000000,  0.0015137100000000 ]  - [  -0.0004803700000000,  0.0002152900000000,  0.0020244800000000 ]  - [  -0.0007494500000000,  0.0006702900000000,  0.0022755600000000 ]  - [  -0.0009173800000000,  0.0005820400000000,  0.0024859400000000 ]  - [   0.0009493900000000, -0.0001797900000000,  0.0013958100000000 ]  - [   0.0003731800000000,  0.0001174900000000,  0.0051013600000000 ]  - [   0.0260384700000000, -0.0111385000000000, -0.0237084100000000 ]  - [  -0.0000487800000000,  0.0000612800000000,  0.0045291100000000 ]  - [   0.0002466200000000, -0.0003839400000000,  0.0045150500000000 ]  - [  -0.0000155600000000, -0.0000033200000000,  0.0045762400000000 ]  - [  -0.0001746000000000, -0.0001970700000000,  0.0044155800000000 ]  - [   0.0000127500000000,  0.0000174900000000,  0.0046333800000000 ]  - [  -0.0000293400000000, -0.0000128900000000,  0.0046021300000000 ]  - [   0.0128665700000000, -0.0031692800000000, -0.0007997200000000 ]  - [   0.0002768000000000,  0.0005620200000000,  0.0043051800000000 ]  - [  -0.0004851400000000, -0.0000386600000000,  0.0037220300000000 ]  - [   0.0000029000000000, -0.0000359400000000,  0.0037380900000000 ]  - [  -0.0000195000000000,  0.0000402900000000,  0.0038124300000000 ]  - [   0.0000340100000000, -0.0000838200000000,  0.0037902600000000 ]  - [   0.0001272800000000, -0.0000387200000000,  0.0037821600000000 ]  - [  -0.0001444100000000,  0.0000267900000000,  0.0037771200000000 ]  - [   0.0002966600000000, -0.0002152200000000, -0.0019882600000000 ]  - [   0.0003873500000000, -0.0001070100000000, -0.0013382300000000 ]  - [  -0.0004079900000000, -0.0006012900000000, -0.0016669500000000 ]  - [   0.0030956800000000, -0.0034349000000000, -0.0003393600000000 ]  - [   0.0003401400000000,  0.0001102600000000, -0.0017917800000000 ]  - [   0.0008664800000000,  0.0006174500000000, -0.0021486500000000 ]  - [   0.0004473400000000,  0.0002206800000000, -0.0018753100000000 ]  - [   0.0003946600000000,  0.0002232100000000, -0.0019119300000000 ]  - [   0.0000033400000000, -0.0005376300000000, -0.0018381700000000 ]  - [   0.0000117000000000, -0.0005245500000000, -0.0018849300000000 ]  - [  -0.0000414700000000, -0.0012104200000000, -0.0019832000000000 ]  - [   0.0000086100000000, -0.0004361600000000, -0.0018961600000000 ]  - [   0.0001730900000000,  0.0007182300000000, -0.0021751700000000 ]  - [   0.0197161600000000,  0.0125264900000000,  0.0173427700000000 ]  - [  -0.0000271400000000,  0.0005835300000000, -0.0018191200000000 ]  - [   0.0000001400000000,  0.0006153500000000, -0.0019304300000000 ]  - [  -0.0001074800000000, -0.0000075800000000, -0.0023627700000000 ]  - [  -0.0008462800000000, -0.0007096600000000, -0.0013458800000000 ]  - [   0.0048192600000000,  0.0071895800000000, -0.0091476700000000 ]  - [  -0.0004839100000000, -0.0002966500000000, -0.0018108100000000 ]  - [  -0.0009999300000000,  0.0006668100000000, -0.0019455900000000 ]  - [  -0.0004430600000000,  0.0002269500000000, -0.0018886100000000 ]  - [  -0.0004310800000000,  0.0002491000000000, -0.0018752800000000 ]  - [  -0.0003774300000000,  0.0002429900000000, -0.0019049300000000 ]  - [  -0.0027161900000000,  0.0026699500000000, -0.0024319300000000 ]  - [  -0.0007153800000000,  0.0022406600000000, -0.0027937600000000 ]  - [  -0.0022287500000000,  0.0016023500000000, -0.0024679900000000 ]  - [  -0.0020368700000000,  0.0007516700000000, -0.0030341300000000 ]  - [  -0.0017953300000000, -0.0013344300000000, -0.0028982000000000 ]  - [  -0.0019596800000000, -0.0009493100000000, -0.0030328900000000 ]  - [  -0.0020475600000000, -0.0009016800000000, -0.0028557300000000 ]  - [  -0.0017528800000000, -0.0011434400000000, -0.0030561900000000 ]  - [   0.0003276000000000,  0.0021031700000000, -0.0028655000000000 ]  - [  -0.0002965200000000,  0.0021682500000000, -0.0029628600000000 ]  - [  -0.0000543900000000,  0.0021898500000000, -0.0029948500000000 ]  - [   0.0000356100000000,  0.0020863600000000, -0.0030482700000000 ]  - [  -0.0000446900000000, -0.0020858800000000, -0.0030166800000000 ]  - [   0.0000369600000000, -0.0022872600000000, -0.0026395400000000 ]  - [   0.0140963800000000,  0.0036302700000000,  0.0041996500000000 ]  - [   0.0004645300000000, -0.0027687300000000, -0.0044648800000000 ]  - [   0.0019360200000000,  0.0012799700000000, -0.0029778600000000 ]  - [   0.0055984700000000, -0.0016619800000000, -0.0061748600000000 ]  - [   0.0018344600000000,  0.0004857200000000, -0.0026180900000000 ]  - [   0.0020981900000000,  0.0017980600000000, -0.0034615600000000 ]  - [   0.0018926200000000, -0.0010013100000000, -0.0030455700000000 ]  - [   0.0018229200000000, -0.0012089400000000, -0.0029930500000000 ]  - [   0.0019798700000000, -0.0009292900000000, -0.0029945500000000 ]  - [   0.0017667700000000, -0.0010879100000000, -0.0030637600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1221011500000000, -0.0039322500000000, -0.0124139700000000 ]  - [   0.0016454500000000,  0.0003606700000000,  0.0019935600000000 ]  - [   0.0008639800000000, -0.0000989000000000,  0.0020126900000000 ]  - [   0.0012312600000000, -0.0019695600000000,  0.0029656700000000 ]  - [   0.0005162800000000,  0.0005926700000000,  0.0020556100000000 ]  - [   0.0005158500000000, -0.0000919100000000,  0.0019355800000000 ]  - [   0.0019345800000000,  0.0006713100000000,  0.0028040200000000 ]  - [   0.0000610000000000,  0.0002812000000000,  0.0018084700000000 ]  - [  -0.0002818000000000, -0.0003565600000000,  0.0017703200000000 ]  - [   0.0000435800000000, -0.0017600900000000,  0.0021882400000000 ]  - [   0.0003068800000000, -0.0006938300000000,  0.0019875000000000 ]  - [  -0.0002624300000000, -0.0004724100000000,  0.0019139400000000 ]  - [   0.0000718700000000,  0.0048916800000000,  0.0011370500000000 ]  - [  -0.0010811100000000,  0.0013065500000000,  0.0028646500000000 ]  - [  -0.0083541000000000,  0.0113530400000000, -0.0003689400000000 ]  - [   0.0002598100000000,  0.0005456900000000,  0.0019794600000000 ]  - [  -0.0096659100000000,  0.0007066200000000,  0.0039786100000000 ]  - [  -0.0206985100000000, -0.0041190500000000,  0.0020925500000000 ]  - [  -0.0007979400000000,  0.0000449300000000,  0.0017445900000000 ]  - [  -0.0007991200000000, -0.0014916600000000,  0.0026563400000000 ]  - [  -0.0006928600000000,  0.0004615000000000,  0.0021399900000000 ]  - [  -0.0004242500000000,  0.0000175700000000,  0.0018846200000000 ]  - [  -0.0002457200000000,  0.0000976000000000,  0.0016780800000000 ]  - [  -0.0021091000000000,  0.0008587000000000,  0.0027657900000000 ]  - [  -0.0003767600000000, -0.0001081400000000,  0.0041349900000000 ]  - [  -0.0257066100000000,  0.0107910600000000,  0.0320891200000000 ]  - [   0.0000513000000000, -0.0000675700000000,  0.0047103000000000 ]  - [  -0.0002322800000000,  0.0003835400000000,  0.0047098800000000 ]  - [   0.0000126600000000,  0.0000195200000000,  0.0046597500000000 ]  - [   0.0001837600000000,  0.0001963800000000,  0.0048224500000000 ]  - [  -0.0000051500000000, -0.0000191500000000,  0.0046027700000000 ]  - [   0.0000277000000000,  0.0000218100000000,  0.0046328100000000 ]  - [  -0.0134280300000000,  0.0034758500000000,  0.0086858000000000 ]  - [  -0.0002589200000000, -0.0005332100000000,  0.0032823700000000 ]  - [   0.0004627500000000,  0.0000393700000000,  0.0038588900000000 ]  - [  -0.0000157600000000,  0.0000322200000000,  0.0038305000000000 ]  - [   0.0000173100000000, -0.0000449100000000,  0.0037609300000000 ]  - [  -0.0000364600000000,  0.0000747400000000,  0.0037806500000000 ]  - [  -0.0001269800000000,  0.0000347900000000,  0.0037919800000000 ]  - [   0.0001408100000000, -0.0000366500000000,  0.0037888600000000 ]  - [   0.0006152000000000, -0.0003145800000000, -0.0018094700000000 ]  - [   0.0005294500000000, -0.0004244900000000, -0.0024529100000000 ]  - [   0.0013217800000000,  0.0000779900000000, -0.0021228700000000 ]  - [  -0.0021340000000000,  0.0028397700000000, -0.0034097200000000 ]  - [   0.0005733700000000,  0.0004261200000000, -0.0019931700000000 ]  - [   0.0000461900000000, -0.0000909600000000, -0.0016395900000000 ]  - [   0.0004703700000000,  0.0003098700000000, -0.0019124200000000 ]  - [   0.0005170000000000,  0.0003136100000000, -0.0018784300000000 ]  - [  -0.0000039900000000, -0.0005284300000000, -0.0019397100000000 ]  - [  -0.0000092500000000, -0.0005375300000000, -0.0018973900000000 ]  - [   0.0000468900000000,  0.0001466700000000, -0.0017831400000000 ]  - [  -0.0000110400000000, -0.0006306300000000, -0.0018823900000000 ]  - [  -0.0001815900000000,  0.0003478900000000, -0.0016059100000000 ]  - [  -0.0192421200000000, -0.0109550500000000, -0.0204205400000000 ]  - [   0.0000349000000000,  0.0004868500000000, -0.0019619600000000 ]  - [   0.0000108700000000,  0.0004470700000000, -0.0018551000000000 ]  - [  -0.0008230400000000, -0.0005354800000000, -0.0014138500000000 ]  - [  -0.0000654700000000,  0.0001725300000000, -0.0024451400000000 ]  - [  -0.0057150000000000, -0.0076035400000000,  0.0054032300000000 ]  - [  -0.0004434300000000, -0.0002362900000000, -0.0019664400000000 ]  - [   0.0000728300000000, -0.0001246800000000, -0.0018313300000000 ]  - [  -0.0004676400000000,  0.0003055000000000, -0.0018992400000000 ]  - [  -0.0004801800000000,  0.0002859900000000, -0.0019146700000000 ]  - [  -0.0005417800000000,  0.0002916100000000, -0.0018805100000000 ]  - [  -0.0010146700000000, -0.0005336700000000, -0.0035462700000000 ]  - [  -0.0030074200000000, -0.0000614800000000, -0.0031894700000000 ]  - [  -0.0015060500000000,  0.0005712300000000, -0.0035210800000000 ]  - [  -0.0017070300000000,  0.0013957200000000, -0.0029463400000000 ]  - [  -0.0019345900000000, -0.0008344600000000, -0.0030784800000000 ]  - [  -0.0017738500000000, -0.0012128000000000, -0.0029458600000000 ]  - [  -0.0016853400000000, -0.0012584700000000, -0.0031157900000000 ]  - [  -0.0019803200000000, -0.0010199300000000, -0.0029230500000000 ]  - [  -0.0003221600000000,  0.0022130700000000, -0.0031179800000000 ]  - [   0.0002918700000000,  0.0021460000000000, -0.0030178400000000 ]  - [   0.0000505500000000,  0.0021267700000000, -0.0029900900000000 ]  - [  -0.0000369300000000,  0.0022302000000000, -0.0029344500000000 ]  - [   0.0000359700000000, -0.0022273700000000, -0.0029671500000000 ]  - [  -0.0000467300000000, -0.0020251800000000, -0.0033371400000000 ]  - [  -0.0147889900000000, -0.0082218300000000, -0.0106105100000000 ]  - [  -0.0004369200000000, -0.0015616200000000, -0.0015341500000000 ]  - [   0.0017954200000000,  0.0008880600000000, -0.0030021800000000 ]  - [  -0.0018966100000000,  0.0038140600000000,  0.0002573400000000 ]  - [   0.0019102600000000,  0.0016878100000000, -0.0033737700000000 ]  - [   0.0016241400000000,  0.0003712600000000, -0.0024932300000000 ]  - [   0.0018394600000000, -0.0011633000000000, -0.0029371400000000 ]  - [   0.0019068200000000, -0.0009497700000000, -0.0029824200000000 ]  - [   0.0017529100000000, -0.0012285800000000, -0.0029844500000000 ]  - [   0.0019617100000000, -0.0010786700000000, -0.0029123000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0144891500000000, -0.0083653100000000, -0.1563741900000000 ]  - [   0.0006676300000000, -0.0003492700000000,  0.0025782800000000 ]  - [   0.0006362900000000, -0.0004035400000000,  0.0025782800000000 ]  - [  -0.0003034400000000,  0.0001751900000000,  0.0007668700000000 ]  - [   0.0007150800000000,  0.0003543100000000,  0.0022418200000000 ]  - [   0.0006047500000000,  0.0006906600000000,  0.0022421300000000 ]  - [  -0.0001541300000000,  0.0006392000000000,  0.0027645500000000 ]  - [   0.0008497700000000,  0.0003608500000000,  0.0021657900000000 ]  - [   0.0000506900000000, -0.0007964300000000,  0.0022418200000000 ]  - [  -0.0006306300000000, -0.0001861200000000,  0.0027645500000000 ]  - [  -0.0002957600000000, -0.0008690600000000,  0.0022421300000000 ]  - [   0.0001123800000000, -0.0009163500000000,  0.0021657900000000 ]  - [   0.0028226800000000,  0.0001241700000000, -0.0029928000000000 ]  - [   0.0006791800000000,  0.0004006400000000,  0.0018068700000000 ]  - [   0.0024674200000000,  0.0020667600000000,  0.0067960200000000 ]  - [  -0.0011062300000000,  0.0004011900000000,  0.0018110200000000 ]  - [   0.0013038100000000, -0.0025066000000000, -0.0029928000000000 ]  - [  -0.0005561500000000, -0.0031702300000000,  0.0067960200000000 ]  - [  -0.0000073800000000, -0.0007885100000000,  0.0018068700000000 ]  - [  -0.0009005600000000,  0.0007574300000000,  0.0018110200000000 ]  - [  -0.0005220000000000,  0.0003013800000000,  0.0020629400000000 ]  - [  -0.0007608600000000,  0.0006888300000000,  0.0022652100000000 ]  - [  -0.0009769700000000,  0.0003145100000000,  0.0022652100000000 ]  - [   0.0000988000000000, -0.0000570400000000,  0.0005699000000000 ]  - [   0.0002358400000000,  0.0000471300000000,  0.0050622000000000 ]  - [  -0.0323897400000000,  0.0187002200000000,  0.0541183400000000 ]  - [  -0.0000422100000000,  0.0000243700000000,  0.0047021400000000 ]  - [   0.0000771000000000, -0.0002278100000000,  0.0050622000000000 ]  - [  -0.0000344300000000,  0.0000144000000000,  0.0046591200000000 ]  - [  -0.0001458700000000,  0.0000842200000000,  0.0044790300000000 ]  - [   0.0000290900000000, -0.0000167900000000,  0.0046908300000000 ]  - [  -0.0000296900000000,  0.0000226200000000,  0.0046591200000000 ]  - [  -0.0050673000000000,  0.0029256100000000,  0.0146242400000000 ]  - [   0.0000395600000000,  0.0004700000000000,  0.0036209200000000 ]  - [  -0.0003872500000000, -0.0002692600000000,  0.0036209200000000 ]  - [  -0.0000459800000000,  0.0000265500000000,  0.0036876200000000 ]  - [  -0.0000082600000000,  0.0000047700000000,  0.0037742600000000 ]  - [  -0.0000156600000000, -0.0001529500000000,  0.0037533300000000 ]  - [   0.0001246300000000,  0.0000900300000000,  0.0037533300000000 ]  - [  -0.0001669200000000,  0.0000963700000000,  0.0037729100000000 ]  - [   0.0004400900000000, -0.0002540800000000, -0.0019163800000000 ]  - [   0.0007434100000000, -0.0000190300000000, -0.0010196000000000 ]  - [   0.0003881800000000, -0.0006343000000000, -0.0010196000000000 ]  - [   0.0012040200000000, -0.0006951400000000,  0.0006261800000000 ]  - [   0.0005099600000000,  0.0002081400000000, -0.0018414600000000 ]  - [   0.0006249200000000,  0.0004756600000000, -0.0015746200000000 ]  - [   0.0004096800000000,  0.0002097100000000, -0.0018653000000000 ]  - [   0.0003987200000000,  0.0001940700000000, -0.0018917500000000 ]  - [   0.0000747200000000, -0.0005457100000000, -0.0018414600000000 ]  - [   0.0000232300000000, -0.0004596500000000, -0.0018653000000000 ]  - [  -0.0000994800000000, -0.0007790300000000, -0.0015746200000000 ]  - [   0.0000312900000000, -0.0004423300000000, -0.0018917500000000 ]  - [  -0.0000749100000000,  0.0009580900000000, -0.0012246500000000 ]  - [   0.0219658400000000,  0.0191984400000000,  0.0276068400000000 ]  - [  -0.0000973700000000,  0.0008466400000000, -0.0012618600000000 ]  - [   0.0001439000000000,  0.0004389200000000, -0.0020306200000000 ]  - [  -0.0008671800000000, -0.0004141700000000, -0.0012246500000000 ]  - [  -0.0007819000000000, -0.0003390000000000, -0.0012618600000000 ]  - [  -0.0056434200000000, -0.0286222000000000,  0.0276068400000000 ]  - [  -0.0003081700000000, -0.0003440800000000, -0.0020306200000000 ]  - [  -0.0004126800000000,  0.0002382600000000, -0.0028695900000000 ]  - [  -0.0004208800000000,  0.0002695900000000, -0.0018783800000000 ]  - [  -0.0004439100000000,  0.0002296900000000, -0.0018783800000000 ]  - [  -0.0003644000000000,  0.0002103900000000, -0.0019152300000000 ]  - [  -0.0031271200000000,  0.0018054500000000, -0.0020751200000000 ]  - [  -0.0023726600000000,  0.0010182400000000, -0.0032281600000000 ]  - [  -0.0020681500000000,  0.0015456700000000, -0.0032281600000000 ]  - [  -0.0016746700000000,  0.0009668700000000, -0.0029807100000000 ]  - [  -0.0018243900000000, -0.0012388100000000, -0.0031979000000000 ]  - [  -0.0018712700000000, -0.0010446400000000, -0.0029919200000000 ]  - [  -0.0019709600000000, -0.0009032200000000, -0.0028401200000000 ]  - [  -0.0018551600000000, -0.0010875600000000, -0.0030342000000000 ]  - [   0.0001606500000000,  0.0021993700000000, -0.0031979000000000 ]  - [  -0.0002032700000000,  0.0021585100000000, -0.0028401200000000 ]  - [  -0.0000309500000000,  0.0021428800000000, -0.0029919200000000 ]  - [   0.0000142800000000,  0.0021503900000000, -0.0030342000000000 ]  - [  -0.0002149800000000, -0.0019507900000000, -0.0030254800000000 ]  - [   0.0002213900000000, -0.0023073000000000, -0.0025950700000000 ]  - [   0.0073375200000000,  0.0068308800000000,  0.0127724800000000 ]  - [  -0.0005021400000000, -0.0027829200000000, -0.0026064600000000 ]  - [   0.0015819500000000,  0.0011615700000000, -0.0030254800000000 ]  - [  -0.0022469500000000, -0.0097699200000000,  0.0127724800000000 ]  - [   0.0021088800000000,  0.0009619300000000, -0.0025950700000000 ]  - [   0.0021590200000000,  0.0018263200000000, -0.0026064600000000 ]  - [   0.0018138400000000, -0.0010472200000000, -0.0030338100000000 ]  - [   0.0019004900000000, -0.0011611200000000, -0.0028928300000000 ]  - [   0.0019558000000000, -0.0010653100000000, -0.0028928300000000 ]  - [   0.0018087600000000, -0.0010442900000000, -0.0030170300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0145702300000000,  0.0084121200000000,  0.1608610100000000 ]  - [   0.0005014500000000, -0.0003151200000000,  0.0015757100000000 ]  - [   0.0005236200000000, -0.0002767100000000,  0.0015757100000000 ]  - [   0.0014756700000000, -0.0008519800000000,  0.0033964200000000 ]  - [   0.0004430800000000,  0.0003199600000000,  0.0019185300000000 ]  - [   0.0005665700000000,  0.0000099100000000,  0.0019186100000000 ]  - [   0.0013367200000000,  0.0000539500000000,  0.0014012700000000 ]  - [   0.0003152500000000,  0.0003135800000000,  0.0019972500000000 ]  - [  -0.0000555500000000, -0.0005436900000000,  0.0019185300000000 ]  - [   0.0006216400000000, -0.0011846000000000,  0.0014012700000000 ]  - [   0.0002747000000000, -0.0004956200000000,  0.0019186100000000 ]  - [  -0.0001139500000000, -0.0004298100000000,  0.0019972500000000 ]  - [  -0.0028627100000000,  0.0012431100000000,  0.0072137400000000 ]  - [  -0.0006820200000000,  0.0009558500000000,  0.0023549900000000 ]  - [  -0.0023091300000000, -0.0007055300000000, -0.0027379000000000 ]  - [   0.0011162000000000,  0.0009199400000000,  0.0023547500000000 ]  - [  -0.0025079200000000,  0.0018576200000000,  0.0072137400000000 ]  - [  -0.0005435600000000,  0.0023525300000000, -0.0027379000000000 ]  - [  -0.0011688000000000,  0.0001127200000000,  0.0023549900000000 ]  - [  -0.0002385900000000, -0.0014266300000000,  0.0023547500000000 ]  - [  -0.0006504700000000,  0.0003755500000000,  0.0021003300000000 ]  - [  -0.0004014700000000, -0.0000119600000000,  0.0018889600000000 ]  - [  -0.0001903800000000,  0.0003536600000000,  0.0018889600000000 ]  - [  -0.0012951500000000,  0.0007477600000000,  0.0035863400000000 ]  - [  -0.0002411700000000, -0.0000491200000000,  0.0041873400000000 ]  - [   0.0335823400000000, -0.0193887700000000, -0.0461089500000000 ]  - [   0.0000346300000000, -0.0000199900000000,  0.0045627200000000 ]  - [  -0.0000780500000000,  0.0002334200000000,  0.0041873400000000 ]  - [   0.0000437600000000, -0.0000166700000000,  0.0045997800000000 ]  - [   0.0001556800000000, -0.0000898800000000,  0.0048017000000000 ]  - [  -0.0000348200000000,  0.0000201000000000,  0.0045750800000000 ]  - [   0.0000363100000000, -0.0000295600000000,  0.0045997800000000 ]  - [   0.0047829600000000, -0.0027614500000000, -0.0068305200000000 ]  - [  -0.0000525200000000, -0.0004852500000000,  0.0039320400000000 ]  - [   0.0003939800000000,  0.0002881100000000,  0.0039320400000000 ]  - [   0.0000407100000000, -0.0000235000000000,  0.0038459100000000 ]  - [   0.0000070400000000, -0.0000040700000000,  0.0037682000000000 ]  - [   0.0000125500000000,  0.0001494600000000,  0.0037979100000000 ]  - [  -0.0001231600000000, -0.0000856000000000,  0.0037979100000000 ]  - [   0.0001682000000000, -0.0000971100000000,  0.0037833200000000 ]  - [   0.0004711800000000, -0.0002720400000000, -0.0018817400000000 ]  - [   0.0001627400000000, -0.0005096900000000, -0.0027843100000000 ]  - [   0.0005227800000000,  0.0001139100000000, -0.0027843100000000 ]  - [  -0.0002727300000000,  0.0001574600000000, -0.0044025300000000 ]  - [   0.0004038500000000,  0.0003152900000000, -0.0019603600000000 ]  - [   0.0002807100000000,  0.0000530800000000, -0.0022090300000000 ]  - [   0.0004998600000000,  0.0003120900000000, -0.0019366100000000 ]  - [   0.0005169200000000,  0.0003268400000000, -0.0019042000000000 ]  - [  -0.0000711300000000, -0.0005073900000000, -0.0019603600000000 ]  - [  -0.0000203500000000, -0.0005889400000000, -0.0019366100000000 ]  - [   0.0000943900000000, -0.0002696400000000, -0.0022090300000000 ]  - [  -0.0000245900000000, -0.0006110800000000, -0.0019042000000000 ]  - [   0.0000811000000000,  0.0000883400000000, -0.0025804500000000 ]  - [  -0.0213411700000000, -0.0174964700000000, -0.0307904900000000 ]  - [   0.0000928700000000,  0.0001983300000000, -0.0025397200000000 ]  - [  -0.0001391900000000,  0.0006037300000000, -0.0017737200000000 ]  - [  -0.0000359500000000, -0.0001144100000000, -0.0025804500000000 ]  - [  -0.0001253300000000, -0.0001795900000000, -0.0025397200000000 ]  - [   0.0044818100000000,  0.0272302300000000, -0.0307904900000000 ]  - [  -0.0005924400000000, -0.0001813200000000, -0.0017737200000000 ]  - [  -0.0004896800000000,  0.0002827200000000, -0.0009478000000000 ]  - [  -0.0004853100000000,  0.0002599200000000, -0.0019193200000000 ]  - [  -0.0004677600000000,  0.0002903300000000, -0.0019193200000000 ]  - [  -0.0005424400000000,  0.0003131800000000, -0.0018854300000000 ]  - [  -0.0005926900000000,  0.0003421900000000, -0.0038934800000000 ]  - [  -0.0013546300000000,  0.0011422400000000, -0.0027421100000000 ]  - [  -0.0016665300000000,  0.0006020200000000, -0.0027421100000000 ]  - [  -0.0020479900000000,  0.0011824100000000, -0.0029698700000000 ]  - [  -0.0019107600000000, -0.0009193700000000, -0.0027679200000000 ]  - [  -0.0018564200000000, -0.0011062800000000, -0.0029666900000000 ]  - [  -0.0017675700000000, -0.0012544500000000, -0.0031317200000000 ]  - [  -0.0018790000000000, -0.0010663900000000, -0.0029332400000000 ]  - [  -0.0001591800000000,  0.0021144600000000, -0.0027679200000000 ]  - [   0.0002026000000000,  0.0021579900000000, -0.0031317200000000 ]  - [   0.0000298500000000,  0.0021608400000000, -0.0029666900000000 ]  - [  -0.0000159800000000,  0.0021604500000000, -0.0029332400000000 ]  - [   0.0002164300000000, -0.0023682600000000, -0.0029414100000000 ]  - [  -0.0002259200000000, -0.0020008000000000, -0.0033591300000000 ]  - [  -0.0076141100000000, -0.0113587900000000, -0.0189841000000000 ]  - [   0.0004960800000000, -0.0015236400000000, -0.0033445500000000 ]  - [   0.0021591900000000,  0.0009967000000000, -0.0029414100000000 ]  - [   0.0060299400000000,  0.0122734000000000, -0.0189841000000000 ]  - [   0.0016197900000000,  0.0011960500000000, -0.0033591300000000 ]  - [   0.0015675500000000,  0.0003322100000000, -0.0033445500000000 ]  - [   0.0019171000000000, -0.0011068400000000, -0.0029205300000000 ]  - [   0.0018290200000000, -0.0009965000000000, -0.0030750900000000 ]  - [   0.0017775000000000, -0.0010857200000000, -0.0030750900000000 ]  - [   0.0019321600000000, -0.0011155400000000, -0.0029578500000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0009701400000000, -0.0006592300000000,  0.0023220800000000 ]  - [   0.0263386000000000, -0.0111532600000000, -0.0305231200000000 ]  - [   0.0005705900000000, -0.0002798600000000,  0.0020409600000000 ]  - [   0.0008465700000000, -0.0003049700000000,  0.0021591200000000 ]  - [   0.0005624200000000,  0.0003732300000000,  0.0020483100000000 ]  - [   0.0005955000000000,  0.0003330200000000,  0.0021153700000000 ]  - [   0.0005836800000000,  0.0003645400000000,  0.0020400200000000 ]  - [   0.0004131400000000,  0.0005381700000000,  0.0019347500000000 ]  - [  -0.0005170100000000, -0.0006788100000000,  0.0020893700000000 ]  - [   0.0000410500000000, -0.0006856000000000,  0.0020813800000000 ]  - [  -0.0000440700000000, -0.0006911100000000,  0.0020800600000000 ]  - [  -0.0000524600000000, -0.0006869700000000,  0.0020859300000000 ]  - [   0.0000917600000000,  0.0009860500000000,  0.0022404200000000 ]  - [   0.0000749000000000,  0.0004064400000000,  0.0019312100000000 ]  - [   0.0000568600000000,  0.0006888900000000,  0.0020876900000000 ]  - [   0.0069092300000000,  0.0007709700000000,  0.0020002000000000 ]  - [   0.0254374800000000,  0.0107633900000000,  0.0354409200000000 ]  - [  -0.0002232000000000, -0.0000384700000000,  0.0018508700000000 ]  - [  -0.0006499800000000, -0.0004074800000000,  0.0021229700000000 ]  - [  -0.0003615100000000, -0.0003885400000000,  0.0019970300000000 ]  - [  -0.0006173400000000,  0.0003357000000000,  0.0021181500000000 ]  - [  -0.0005894100000000,  0.0003685800000000,  0.0020481900000000 ]  - [  -0.0007663900000000,  0.0001436600000000,  0.0022327200000000 ]  - [  -0.0006103400000000,  0.0003455200000000,  0.0021202900000000 ]  - [  -0.0757661000000000, -0.0004072900000000,  0.0039126800000000 ]  - [  -0.0000988200000000, -0.0000035500000000,  0.0046278500000000 ]  - [   0.0000146000000000,  0.0000676600000000,  0.0046616400000000 ]  - [   0.0000214800000000, -0.0000621100000000,  0.0045928000000000 ]  - [   0.0004010200000000, -0.0000033300000000,  0.0046299400000000 ]  - [   0.0000136500000000,  0.0000078500000000,  0.0046294500000000 ]  - [   0.0000083800000000,  0.0000042000000000,  0.0046239200000000 ]  - [   0.0000055400000000,  0.0000067700000000,  0.0046320000000000 ]  - [   0.0011078400000000,  0.0009406600000000,  0.0043025100000000 ]  - [   0.0011070500000000, -0.0009512900000000,  0.0032614200000000 ]  - [  -0.0000239800000000,  0.0000026700000000,  0.0037827000000000 ]  - [  -0.0005341000000000,  0.0000141900000000,  0.0037742700000000 ]  - [   0.0000539200000000, -0.0000031700000000,  0.0037815900000000 ]  - [   0.0000093600000000, -0.0000085900000000,  0.0037795700000000 ]  - [  -0.0000019100000000,  0.0000209000000000,  0.0038136000000000 ]  - [   0.0000042400000000, -0.0000313100000000,  0.0037519300000000 ]  - [   0.0005298900000000, -0.0002825700000000, -0.0018427700000000 ]  - [   0.0004496000000000, -0.0002508700000000, -0.0020522500000000 ]  - [  -0.0002512500000000, -0.0004881000000000,  0.0005515300000000 ]  - [   0.0005654000000000, -0.0002630200000000, -0.0017832500000000 ]  - [   0.0017178500000000,  0.0008736300000000, -0.0039967000000000 ]  - [   0.0004442400000000,  0.0002350700000000, -0.0019066800000000 ]  - [   0.0004640900000000,  0.0002666500000000, -0.0019113000000000 ]  - [   0.0004386700000000,  0.0002765900000000, -0.0018663200000000 ]  - [   0.0000059400000000, -0.0005439900000000, -0.0018603500000000 ]  - [   0.0000068800000000, -0.0005200500000000, -0.0019264300000000 ]  - [   0.0000130500000000, -0.0005318900000000, -0.0018896200000000 ]  - [   0.0002155000000000, -0.0005326900000000, -0.0018916300000000 ]  - [  -0.0010800400000000,  0.0005443300000000, -0.0018898500000000 ]  - [   0.0000085100000000,  0.0005322900000000, -0.0018932200000000 ]  - [   0.0000760900000000,  0.0005061400000000, -0.0019574700000000 ]  - [   0.0000856600000000,  0.0005478200000000, -0.0018376700000000 ]  - [  -0.0003849700000000, -0.0002501900000000, -0.0019469100000000 ]  - [  -0.0004690700000000, -0.0002770300000000, -0.0017411400000000 ]  - [  -0.0003467400000000, -0.0002675400000000, -0.0020117700000000 ]  - [  -0.0011670600000000, -0.0000596800000000, -0.0043233200000000 ]  - [  -0.0004587000000000,  0.0003042400000000, -0.0018951200000000 ]  - [   0.0007992500000000, -0.0003318800000000,  0.0001668400000000 ]  - [  -0.0004408400000000,  0.0002619300000000, -0.0018880200000000 ]  - [  -0.0004721400000000,  0.0002568600000000, -0.0019287000000000 ]  - [  -0.0009924200000000,  0.0028641800000000, -0.0032608100000000 ]  - [  -0.0019204200000000,  0.0011616200000000, -0.0029463200000000 ]  - [  -0.0018344700000000,  0.0010913500000000, -0.0029995500000000 ]  - [  -0.0007057100000000,  0.0037205700000000, -0.0044569400000000 ]  - [  -0.0018720000000000, -0.0010872800000000, -0.0029889700000000 ]  - [  -0.0018624100000000, -0.0010792200000000, -0.0029980500000000 ]  - [  -0.0018425500000000, -0.0010644400000000, -0.0029959400000000 ]  - [  -0.0018270300000000, -0.0010226900000000, -0.0030248200000000 ]  - [  -0.0000358700000000,  0.0020993400000000, -0.0030206300000000 ]  - [  -0.0000327400000000,  0.0022158400000000, -0.0029633400000000 ]  - [  -0.0000075700000000,  0.0021560600000000, -0.0029894300000000 ]  - [  -0.0000084100000000,  0.0021556200000000, -0.0029909200000000 ]  - [   0.0000502000000000, -0.0021594900000000, -0.0029916100000000 ]  - [   0.0000860500000000, -0.0021540200000000, -0.0029864500000000 ]  - [   0.0049188700000000, -0.0019626900000000, -0.0017685300000000 ]  - [   0.0047892900000000, -0.0023533300000000, -0.0041838300000000 ]  - [   0.0027340300000000, -0.0006882600000000, -0.0027204800000000 ]  - [   0.0018118300000000,  0.0009946600000000, -0.0030351400000000 ]  - [   0.0030148300000000, -0.0015933800000000, -0.0015032600000000 ]  - [   0.0018977900000000,  0.0010709200000000, -0.0029807000000000 ]  - [   0.0018712700000000, -0.0010807900000000, -0.0029772500000000 ]  - [   0.0018467600000000, -0.0010834700000000, -0.0029816900000000 ]  - [   0.0018829400000000, -0.0011044000000000, -0.0029845700000000 ]  - [   0.0019055400000000, -0.0011409100000000, -0.0029514000000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0010637200000000,  0.0000511900000000,  0.0025332400000000 ]  - [  -0.0278053900000000,  0.0160534500000000,  0.0528681400000000 ]  - [   0.0004914700000000, -0.0002837500000000,  0.0021638700000000 ]  - [   0.0004875300000000, -0.0009468000000000,  0.0025332400000000 ]  - [   0.0005680800000000,  0.0002966100000000,  0.0021217400000000 ]  - [   0.0006010600000000,  0.0003470200000000,  0.0021500200000000 ]  - [   0.0005409200000000,  0.0003436700000000,  0.0021217400000000 ]  - [   0.0003870800000000,  0.0002234800000000,  0.0019278600000000 ]  - [   0.0000000000000000, -0.0004469600000000,  0.0019278600000000 ]  - [   0.0000000000000000, -0.0006940400000000,  0.0021500200000000 ]  - [  -0.0000271700000000, -0.0006402800000000,  0.0021217400000000 ]  - [   0.0000271700000000, -0.0006402800000000,  0.0021217400000000 ]  - [   0.0005761900000000,  0.0008956100000000,  0.0025332400000000 ]  - [  -0.0005761900000000,  0.0008956100000000,  0.0025332400000000 ]  - [   0.0000000000000000,  0.0005675000000000,  0.0021638700000000 ]  - [   0.0000000000000000, -0.0321069000000000,  0.0528681400000000 ]  - [   0.0278053900000000,  0.0160534500000000,  0.0528681400000000 ]  - [  -0.0010637200000000,  0.0000511900000000,  0.0025332400000000 ]  - [  -0.0004914700000000, -0.0002837500000000,  0.0021638700000000 ]  - [  -0.0004875300000000, -0.0009468000000000,  0.0025332400000000 ]  - [  -0.0005680800000000,  0.0002966100000000,  0.0021217400000000 ]  - [  -0.0006010600000000,  0.0003470200000000,  0.0021500200000000 ]  - [  -0.0003870800000000,  0.0002234800000000,  0.0019278600000000 ]  - [  -0.0005409200000000,  0.0003436700000000,  0.0021217400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1507563400000000 ]  - [   0.0000000000000000, -0.0000377800000000,  0.0044497700000000 ]  - [   0.0000327100000000,  0.0000188900000000,  0.0044497700000000 ]  - [  -0.0000327100000000,  0.0000188900000000,  0.0044497700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045391900000000 ]  - [   0.0000000000000000, -0.0000069700000000,  0.0045889800000000 ]  - [   0.0000060400000000,  0.0000034900000000,  0.0045889800000000 ]  - [  -0.0000060400000000,  0.0000034900000000,  0.0045889800000000 ]  - [   0.0017063000000000,  0.0009851300000000,  0.0037546000000000 ]  - [  -0.0017063000000000,  0.0009851300000000,  0.0037546000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037719400000000 ]  - [   0.0000000000000000, -0.0019702600000000,  0.0037546000000000 ]  - [   0.0000000000000000,  0.0000317800000000,  0.0037194400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037963100000000 ]  - [   0.0000275300000000, -0.0000158900000000,  0.0037194400000000 ]  - [  -0.0000275300000000, -0.0000158900000000,  0.0037194400000000 ]  - [   0.0003442900000000, -0.0002486700000000, -0.0019730800000000 ]  - [   0.0002128700000000, -0.0001229000000000, -0.0021259800000000 ]  - [   0.0013616600000000, -0.0007861500000000, -0.0013136200000000 ]  - [   0.0003875000000000, -0.0001738300000000, -0.0019730800000000 ]  - [  -0.0006051700000000, -0.0003494000000000,  0.0007172600000000 ]  - [   0.0004453100000000,  0.0002486100000000, -0.0019594300000000 ]  - [   0.0004703200000000,  0.0002715400000000, -0.0019104100000000 ]  - [   0.0004379500000000,  0.0002613400000000, -0.0019594300000000 ]  - [  -0.0000073500000000, -0.0005099500000000, -0.0019594300000000 ]  - [   0.0000073500000000, -0.0005099500000000, -0.0019594300000000 ]  - [   0.0000000000000000, -0.0005430800000000, -0.0019104100000000 ]  - [   0.0000000000000000,  0.0006987900000000,  0.0007172600000000 ]  - [   0.0000000000000000,  0.0015723100000000, -0.0013136200000000 ]  - [   0.0000000000000000,  0.0002458000000000, -0.0021259800000000 ]  - [  -0.0000432100000000,  0.0004225000000000, -0.0019730800000000 ]  - [   0.0000432100000000,  0.0004225000000000, -0.0019730800000000 ]  - [  -0.0003442900000000, -0.0002486700000000, -0.0019730800000000 ]  - [  -0.0002128700000000, -0.0001229000000000, -0.0021259800000000 ]  - [  -0.0003875000000000, -0.0001738300000000, -0.0019730800000000 ]  - [  -0.0013616600000000, -0.0007861500000000, -0.0013136200000000 ]  - [  -0.0004453100000000,  0.0002486100000000, -0.0019594300000000 ]  - [   0.0006051700000000, -0.0003494000000000,  0.0007172600000000 ]  - [  -0.0004703200000000,  0.0002715400000000, -0.0019104100000000 ]  - [  -0.0004379500000000,  0.0002613400000000, -0.0019594300000000 ]  - [  -0.0024408600000000,  0.0011714000000000, -0.0042144300000000 ]  - [  -0.0018848000000000,  0.0010881900000000, -0.0029948600000000 ]  - [  -0.0017668600000000,  0.0010201000000000, -0.0029635000000000 ]  - [  -0.0022349000000000,  0.0015281500000000, -0.0042144300000000 ]  - [  -0.0018896600000000, -0.0010910000000000, -0.0030140400000000 ]  - [  -0.0018696100000000, -0.0011560600000000, -0.0029086800000000 ]  - [  -0.0018547900000000, -0.0010708600000000, -0.0029999500000000 ]  - [  -0.0019359800000000, -0.0010411000000000, -0.0029086800000000 ]  - [  -0.0000663700000000,  0.0021971600000000, -0.0029086800000000 ]  - [   0.0000663700000000,  0.0021971600000000, -0.0029086800000000 ]  - [   0.0000000000000000,  0.0021417200000000, -0.0029999500000000 ]  - [   0.0000000000000000,  0.0021819900000000, -0.0030140400000000 ]  - [   0.0000000000000000, -0.0020401900000000, -0.0029635000000000 ]  - [   0.0000000000000000, -0.0021763800000000, -0.0029948600000000 ]  - [  -0.0002059700000000, -0.0026995500000000, -0.0042144300000000 ]  - [   0.0002059700000000, -0.0026995500000000, -0.0042144300000000 ]  - [   0.0024408600000000,  0.0011714000000000, -0.0042144300000000 ]  - [   0.0018848000000000,  0.0010881900000000, -0.0029948600000000 ]  - [   0.0022349000000000,  0.0015281500000000, -0.0042144300000000 ]  - [   0.0017668600000000,  0.0010201000000000, -0.0029635000000000 ]  - [   0.0018696100000000, -0.0011560600000000, -0.0029086800000000 ]  - [   0.0018896600000000, -0.0010910000000000, -0.0030140400000000 ]  - [   0.0018547900000000, -0.0010708600000000, -0.0029999500000000 ]  - [   0.0019359800000000, -0.0010411000000000, -0.0029086800000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000975800000000, -0.0007198100000000,  0.0016451600000000 ]  - [   0.0279850100000000, -0.0161571500000000, -0.0473750900000000 ]  - [   0.0006699800000000, -0.0003868200000000,  0.0020110000000000 ]  - [   0.0006721600000000,  0.0002754000000000,  0.0016451600000000 ]  - [   0.0005959000000000,  0.0003744800000000,  0.0020478500000000 ]  - [   0.0005690700000000,  0.0003285500000000,  0.0020205900000000 ]  - [   0.0006222600000000,  0.0003288200000000,  0.0020478500000000 ]  - [   0.0007890000000000,  0.0004555300000000,  0.0022404000000000 ]  - [   0.0000000000000000, -0.0009110600000000,  0.0022404000000000 ]  - [   0.0000000000000000, -0.0006571100000000,  0.0020205900000000 ]  - [   0.0000263600000000, -0.0007033000000000,  0.0020478500000000 ]  - [  -0.0000263600000000, -0.0007033000000000,  0.0020478500000000 ]  - [  -0.0005745800000000,  0.0004444100000000,  0.0016451600000000 ]  - [   0.0005745800000000,  0.0004444100000000,  0.0016451600000000 ]  - [   0.0000000000000000,  0.0007736300000000,  0.0020110000000000 ]  - [   0.0000000000000000,  0.0323143100000000, -0.0473750900000000 ]  - [  -0.0279850100000000, -0.0161571500000000, -0.0473750900000000 ]  - [  -0.0000975800000000, -0.0007198100000000,  0.0016451600000000 ]  - [  -0.0006699800000000, -0.0003868200000000,  0.0020110000000000 ]  - [  -0.0006721600000000,  0.0002754000000000,  0.0016451600000000 ]  - [  -0.0005959000000000,  0.0003744800000000,  0.0020478500000000 ]  - [  -0.0005690700000000,  0.0003285500000000,  0.0020205900000000 ]  - [  -0.0007890000000000,  0.0004555300000000,  0.0022404000000000 ]  - [  -0.0006222600000000,  0.0003288200000000,  0.0020478500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1562842000000000 ]  - [   0.0000000000000000,  0.0000388200000000,  0.0047866100000000 ]  - [  -0.0000336200000000, -0.0000194100000000,  0.0047866100000000 ]  - [   0.0000336200000000, -0.0000194100000000,  0.0047866100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046984800000000 ]  - [   0.0000000000000000,  0.0000051200000000,  0.0046501000000000 ]  - [  -0.0000044400000000, -0.0000025600000000,  0.0046501000000000 ]  - [   0.0000044400000000, -0.0000025600000000,  0.0046501000000000 ]  - [  -0.0016849600000000, -0.0009728100000000,  0.0038099400000000 ]  - [   0.0016849600000000, -0.0009728100000000,  0.0038099400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037899000000000 ]  - [   0.0000000000000000,  0.0019456200000000,  0.0038099400000000 ]  - [   0.0000000000000000, -0.0000302400000000,  0.0038467800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037665300000000 ]  - [  -0.0000261900000000,  0.0000151200000000,  0.0038467800000000 ]  - [   0.0000261900000000,  0.0000151200000000,  0.0038467800000000 ]  - [   0.0005751400000000, -0.0002812200000000, -0.0018182600000000 ]  - [   0.0007060800000000, -0.0004076600000000, -0.0016674600000000 ]  - [  -0.0004284000000000,  0.0002473300000000, -0.0024715900000000 ]  - [   0.0005311100000000, -0.0003574800000000, -0.0018182600000000 ]  - [   0.0015369500000000,  0.0008873600000000, -0.0045585700000000 ]  - [   0.0004761900000000,  0.0002822800000000, -0.0018321300000000 ]  - [   0.0004485000000000,  0.0002589400000000, -0.0018822300000000 ]  - [   0.0004825500000000,  0.0002712500000000, -0.0018321300000000 ]  - [   0.0000063700000000, -0.0005535300000000, -0.0018321300000000 ]  - [  -0.0000063700000000, -0.0005535300000000, -0.0018321300000000 ]  - [   0.0000000000000000, -0.0005178800000000, -0.0018822300000000 ]  - [   0.0000000000000000, -0.0017747100000000, -0.0045585700000000 ]  - [   0.0000000000000000, -0.0004946700000000, -0.0024715900000000 ]  - [   0.0000000000000000,  0.0008153100000000, -0.0016674600000000 ]  - [   0.0000440300000000,  0.0006386900000000, -0.0018182600000000 ]  - [  -0.0000440300000000,  0.0006386900000000, -0.0018182600000000 ]  - [  -0.0005751400000000, -0.0002812200000000, -0.0018182600000000 ]  - [  -0.0007060800000000, -0.0004076600000000, -0.0016674600000000 ]  - [  -0.0005311100000000, -0.0003574800000000, -0.0018182600000000 ]  - [   0.0004284000000000,  0.0002473300000000, -0.0024715900000000 ]  - [  -0.0004761900000000,  0.0002822800000000, -0.0018321300000000 ]  - [  -0.0015369500000000,  0.0008873600000000, -0.0045585700000000 ]  - [  -0.0004485000000000,  0.0002589400000000, -0.0018822300000000 ]  - [  -0.0004825500000000,  0.0002712500000000, -0.0018321300000000 ]  - [  -0.0013135800000000,  0.0009732900000000, -0.0017858800000000 ]  - [  -0.0018490400000000,  0.0010675400000000, -0.0029883300000000 ]  - [  -0.0019642100000000,  0.0011340400000000, -0.0030169200000000 ]  - [  -0.0014996800000000,  0.0006509500000000, -0.0017858800000000 ]  - [  -0.0018435700000000, -0.0010643900000000, -0.0029669400000000 ]  - [  -0.0018654300000000, -0.0009956500000000, -0.0030750400000000 ]  - [  -0.0018812500000000, -0.0010861400000000, -0.0029814200000000 ]  - [  -0.0017949800000000, -0.0011176900000000, -0.0030750400000000 ]  - [   0.0000704600000000,  0.0021133400000000, -0.0030750400000000 ]  - [  -0.0000704600000000,  0.0021133400000000, -0.0030750400000000 ]  - [   0.0000000000000000,  0.0021722800000000, -0.0029814200000000 ]  - [   0.0000000000000000,  0.0021287700000000, -0.0029669400000000 ]  - [   0.0000000000000000, -0.0022680800000000, -0.0030169200000000 ]  - [   0.0000000000000000, -0.0021350900000000, -0.0029883300000000 ]  - [   0.0001861000000000, -0.0016242400000000, -0.0017858800000000 ]  - [  -0.0001861000000000, -0.0016242400000000, -0.0017858800000000 ]  - [   0.0013135800000000,  0.0009732900000000, -0.0017858800000000 ]  - [   0.0018490400000000,  0.0010675400000000, -0.0029883300000000 ]  - [   0.0014996800000000,  0.0006509500000000, -0.0017858800000000 ]  - [   0.0019642100000000,  0.0011340400000000, -0.0030169200000000 ]  - [   0.0018654300000000, -0.0009956500000000, -0.0030750400000000 ]  - [   0.0018435700000000, -0.0010643900000000, -0.0029669400000000 ]  - [   0.0018812500000000, -0.0010861400000000, -0.0029814200000000 ]  - [   0.0017949800000000, -0.0011176900000000, -0.0030750400000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0140205500000000, -0.0037844300000000, -0.0030052300000000 ]  - [   0.0008502700000000,  0.0000256900000000,  0.0021215500000000 ]  - [   0.0001323200000000, -0.0002347300000000,  0.0016839400000000 ]  - [   0.0005896500000000, -0.0003884200000000,  0.0020350500000000 ]  - [   0.0006266000000000,  0.0004431800000000,  0.0020698200000000 ]  - [   0.0005651300000000,  0.0002997100000000,  0.0020761600000000 ]  - [   0.0007296300000000,  0.0003940100000000,  0.0022016000000000 ]  - [   0.0004264600000000,  0.0003264700000000,  0.0019164300000000 ]  - [  -0.0000310800000000, -0.0006309400000000,  0.0019446700000000 ]  - [  -0.0000063200000000, -0.0007408000000000,  0.0022201900000000 ]  - [   0.0000496000000000, -0.0006785200000000,  0.0020822600000000 ]  - [  -0.0000901800000000, -0.0006873000000000,  0.0020809400000000 ]  - [   0.0074081300000000,  0.0006835900000000,  0.0020894900000000 ]  - [  -0.0000567900000000,  0.0006853200000000,  0.0020828400000000 ]  - [   0.0003263800000000,  0.0001822900000000,  0.0016380800000000 ]  - [   0.0003260300000000,  0.0011902400000000,  0.0025123400000000 ]  - [   0.0122666300000000,  0.0028358200000000,  0.0068378200000000 ]  - [  -0.0003362700000000, -0.0007289700000000,  0.0020304100000000 ]  - [  -0.0005882000000000, -0.0003210000000000,  0.0021257900000000 ]  - [  -0.0010767400000000, -0.0004787000000000,  0.0024654700000000 ]  - [  -0.0006063500000000,  0.0003820100000000,  0.0020901700000000 ]  - [  -0.0005558300000000,  0.0002649400000000,  0.0020929900000000 ]  - [  -0.0004530200000000,  0.0003222300000000,  0.0019551400000000 ]  - [  -0.0007310900000000,  0.0004028200000000,  0.0022483600000000 ]  - [   0.0011036000000000,  0.0009332400000000,  0.0063052800000000 ]  - [   0.0011051500000000, -0.0009487700000000,  0.0029102200000000 ]  - [  -0.0000232400000000, -0.0000060800000000,  0.0046194700000000 ]  - [  -0.0005292500000000, -0.0000116200000000,  0.0046219100000000 ]  - [  -0.0000015100000000, -0.0000123200000000,  0.0046446600000000 ]  - [   0.0000105900000000,  0.0000403900000000,  0.0045953100000000 ]  - [   0.0000125100000000, -0.0000000600000000,  0.0046170400000000 ]  - [   0.0000520400000000,  0.0000063200000000,  0.0046187000000000 ]  - [  -0.0545712600000000,  0.0002804400000000,  0.0041500200000000 ]  - [   0.0002895300000000,  0.0000030600000000,  0.0037872600000000 ]  - [  -0.0000205400000000, -0.0001776300000000,  0.0038867200000000 ]  - [  -0.0000216000000000,  0.0001822800000000,  0.0036919200000000 ]  - [   0.0000295700000000, -0.0000345200000000,  0.0037756600000000 ]  - [   0.0000315100000000,  0.0000192000000000,  0.0038002600000000 ]  - [  -0.0000194400000000, -0.0000078000000000,  0.0037937300000000 ]  - [   0.0000078200000000, -0.0000058200000000,  0.0037856900000000 ]  - [   0.0004212100000000, -0.0002382800000000, -0.0019319200000000 ]  - [   0.0014981200000000,  0.0028155600000000, -0.0024931900000000 ]  - [   0.0015177300000000,  0.0020553600000000, -0.0021279100000000 ]  - [   0.0004861100000000, -0.0002602500000000, -0.0018368700000000 ]  - [   0.0005209400000000,  0.0003048700000000, -0.0018902900000000 ]  - [   0.0003963700000000,  0.0002224800000000, -0.0019779300000000 ]  - [   0.0004574400000000,  0.0002711300000000, -0.0018976100000000 ]  - [   0.0004867600000000,  0.0002783900000000, -0.0018855400000000 ]  - [   0.0000093200000000, -0.0005357200000000, -0.0018869100000000 ]  - [  -0.0000111400000000, -0.0005345300000000, -0.0018884800000000 ]  - [   0.0000244200000000, -0.0004374000000000, -0.0019694900000000 ]  - [   0.0000133900000000, -0.0006406200000000, -0.0017966700000000 ]  - [   0.0056380000000000,  0.0009124700000000, -0.0015298400000000 ]  - [   0.0058016300000000,  0.0001388500000000, -0.0022569900000000 ]  - [   0.0000178700000000,  0.0005342100000000, -0.0018884000000000 ]  - [   0.0000382000000000,  0.0005367300000000, -0.0018863200000000 ]  - [   0.0005740400000000, -0.0033169900000000, -0.0012961200000000 ]  - [  -0.0004941300000000, -0.0003007700000000, -0.0018535100000000 ]  - [   0.0005934500000000, -0.0026035200000000, -0.0016559900000000 ]  - [  -0.0004352000000000, -0.0002757200000000, -0.0019436700000000 ]  - [  -0.0003884300000000,  0.0002424100000000, -0.0018924700000000 ]  - [  -0.0005098000000000,  0.0003101300000000, -0.0018197200000000 ]  - [  -0.0004249800000000,  0.0002602000000000, -0.0019037500000000 ]  - [  -0.0004631000000000,  0.0002620800000000, -0.0018865400000000 ]  - [  -0.0000749400000000, -0.0007224700000000,  0.0011329600000000 ]  - [  -0.0019088200000000,  0.0011129500000000, -0.0029678600000000 ]  - [  -0.0018294000000000,  0.0010868800000000, -0.0030086400000000 ]  - [  -0.0018062100000000,  0.0013006000000000, -0.0032748200000000 ]  - [  -0.0017711900000000, -0.0009954900000000, -0.0028519200000000 ]  - [  -0.0018522100000000, -0.0011109000000000, -0.0029313200000000 ]  - [  -0.0018187900000000, -0.0010973800000000, -0.0030276700000000 ]  - [  -0.0019088200000000, -0.0010452400000000, -0.0029622300000000 ]  - [  -0.0000681800000000,  0.0021594700000000, -0.0029980800000000 ]  - [   0.0000696100000000,  0.0021552800000000, -0.0029906500000000 ]  - [  -0.0000310500000000,  0.0021433400000000, -0.0029675800000000 ]  - [  -0.0000296300000000,  0.0021686900000000, -0.0030192000000000 ]  - [   0.0000301500000000, -0.0020750700000000, -0.0030296500000000 ]  - [   0.0000294400000000, -0.0022404900000000, -0.0029524200000000 ]  - [  -0.0013307900000000, -0.0021430800000000, -0.0029712000000000 ]  - [   0.0004388000000000, -0.0021581400000000, -0.0029955100000000 ]  - [   0.0018186200000000,  0.0010501200000000, -0.0030113600000000 ]  - [   0.0036611500000000,  0.0028836100000000, -0.0071486300000000 ]  - [   0.0019018300000000,  0.0010733500000000, -0.0029739200000000 ]  - [   0.0019232000000000,  0.0008589400000000, -0.0027087300000000 ]  - [   0.0019490200000000, -0.0011741000000000, -0.0031226100000000 ]  - [   0.0018706300000000, -0.0010605700000000, -0.0030464500000000 ]  - [   0.0018221800000000, -0.0011283800000000, -0.0030270500000000 ]  - [   0.0019061900000000, -0.0010678600000000, -0.0029494700000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0040956600000000,  0.0023646300000000,  0.0127505900000000 ]  - [   0.0010773900000000,  0.0000509400000000,  0.0019329900000000 ]  - [   0.0004945800000000, -0.0009585200000000,  0.0019329900000000 ]  - [   0.0005312300000000, -0.0003067100000000,  0.0020019300000000 ]  - [   0.0005812300000000,  0.0003186500000000,  0.0020604800000000 ]  - [   0.0006027700000000,  0.0003480100000000,  0.0020803300000000 ]  - [   0.0005665800000000,  0.0003440300000000,  0.0020604800000000 ]  - [   0.0005670600000000,  0.0003273900000000,  0.0020787000000000 ]  - [   0.0000146500000000, -0.0006626900000000,  0.0020604800000000 ]  - [  -0.0000146500000000, -0.0006626900000000,  0.0020604800000000 ]  - [   0.0000000000000000, -0.0006960200000000,  0.0020803300000000 ]  - [   0.0000000000000000, -0.0006547800000000,  0.0020787000000000 ]  - [   0.0000000000000000, -0.0047292600000000,  0.0127505900000000 ]  - [   0.0000000000000000,  0.0006134200000000,  0.0020019300000000 ]  - [  -0.0005828100000000,  0.0009075800000000,  0.0019329900000000 ]  - [   0.0005828100000000,  0.0009075800000000,  0.0019329900000000 ]  - [   0.0040956600000000,  0.0023646300000000,  0.0127505900000000 ]  - [  -0.0010773900000000,  0.0000509400000000,  0.0019329900000000 ]  - [  -0.0005312300000000, -0.0003067100000000,  0.0020019300000000 ]  - [  -0.0004945800000000, -0.0009585200000000,  0.0019329900000000 ]  - [  -0.0006027700000000,  0.0003480100000000,  0.0020803300000000 ]  - [  -0.0005812300000000,  0.0003186500000000,  0.0020604800000000 ]  - [  -0.0005665800000000,  0.0003440300000000,  0.0020604800000000 ]  - [  -0.0005670600000000,  0.0003273900000000,  0.0020787000000000 ]  - [   0.0005333200000000,  0.0003079100000000,  0.0045918800000000 ]  - [  -0.0005333200000000,  0.0003079100000000,  0.0045918800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046082800000000 ]  - [   0.0000000000000000, -0.0006158200000000,  0.0045918800000000 ]  - [   0.0000339500000000,  0.0000196000000000,  0.0045503800000000 ]  - [  -0.0000339500000000,  0.0000196000000000,  0.0045503800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046326000000000 ]  - [   0.0000000000000000, -0.0000392100000000,  0.0045503800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0395053300000000 ]  - [   0.0000000000000000, -0.0001065900000000,  0.0036727100000000 ]  - [   0.0000923100000000,  0.0000533000000000,  0.0036727100000000 ]  - [  -0.0000923100000000,  0.0000533000000000,  0.0036727100000000 ]  - [   0.0000145800000000, -0.0000084200000000,  0.0037921700000000 ]  - [  -0.0000145800000000, -0.0000084200000000,  0.0037921700000000 ]  - [   0.0000000000000000,  0.0000168400000000,  0.0037921700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037829700000000 ]  - [   0.0005181900000000, -0.0002991800000000, -0.0018545200000000 ]  - [   0.0003196300000000,  0.0009049700000000, -0.0027043000000000 ]  - [  -0.0006239100000000, -0.0007292900000000, -0.0027043000000000 ]  - [   0.0004944300000000, -0.0002854600000000, -0.0018209400000000 ]  - [   0.0004316000000000,  0.0002491800000000, -0.0018326900000000 ]  - [   0.0004463400000000,  0.0002416400000000, -0.0018622000000000 ]  - [   0.0004639400000000,  0.0002678500000000, -0.0018964300000000 ]  - [   0.0004324400000000,  0.0002657200000000, -0.0018622000000000 ]  - [   0.0000000000000000, -0.0004983700000000, -0.0018326900000000 ]  - [   0.0000000000000000, -0.0005357100000000, -0.0018964300000000 ]  - [   0.0000139000000000, -0.0005073600000000, -0.0018622000000000 ]  - [  -0.0000139000000000, -0.0005073600000000, -0.0018622000000000 ]  - [  -0.0009435400000000, -0.0001756800000000, -0.0027043000000000 ]  - [   0.0009435400000000, -0.0001756800000000, -0.0027043000000000 ]  - [   0.0000000000000000,  0.0005983500000000, -0.0018545200000000 ]  - [   0.0000000000000000,  0.0005709200000000, -0.0018209400000000 ]  - [  -0.0003196300000000,  0.0009049700000000, -0.0027043000000000 ]  - [  -0.0005181900000000, -0.0002991800000000, -0.0018545200000000 ]  - [   0.0006239100000000, -0.0007292900000000, -0.0027043000000000 ]  - [  -0.0004944300000000, -0.0002854600000000, -0.0018209400000000 ]  - [  -0.0004316000000000,  0.0002491800000000, -0.0018326900000000 ]  - [  -0.0004463400000000,  0.0002416400000000, -0.0018622000000000 ]  - [  -0.0004324400000000,  0.0002657200000000, -0.0018622000000000 ]  - [  -0.0004639400000000,  0.0002678500000000, -0.0018964300000000 ]  - [   0.0022132100000000, -0.0012778000000000,  0.0028404600000000 ]  - [  -0.0017970300000000,  0.0010417500000000, -0.0029652800000000 ]  - [  -0.0018007000000000,  0.0010353900000000, -0.0029652800000000 ]  - [  -0.0019435400000000,  0.0011221000000000, -0.0032541000000000 ]  - [  -0.0017789200000000, -0.0010270600000000, -0.0027970600000000 ]  - [  -0.0018527900000000, -0.0010791900000000, -0.0030031700000000 ]  - [  -0.0018658700000000, -0.0010772600000000, -0.0029933100000000 ]  - [  -0.0018610000000000, -0.0010649700000000, -0.0030031700000000 ]  - [   0.0000000000000000,  0.0020541300000000, -0.0027970600000000 ]  - [   0.0000000000000000,  0.0021545200000000, -0.0029933100000000 ]  - [   0.0000082100000000,  0.0021441600000000, -0.0030031700000000 ]  - [  -0.0000082100000000,  0.0021441600000000, -0.0030031700000000 ]  - [  -0.0000036700000000, -0.0020771500000000, -0.0029652800000000 ]  - [   0.0000036700000000, -0.0020771500000000, -0.0029652800000000 ]  - [   0.0000000000000000,  0.0025556000000000,  0.0028404600000000 ]  - [   0.0000000000000000, -0.0022442100000000, -0.0032541000000000 ]  - [   0.0017970300000000,  0.0010417500000000, -0.0029652800000000 ]  - [  -0.0022132100000000, -0.0012778000000000,  0.0028404600000000 ]  - [   0.0018007000000000,  0.0010353900000000, -0.0029652800000000 ]  - [   0.0019435400000000,  0.0011221000000000, -0.0032541000000000 ]  - [   0.0017789200000000, -0.0010270600000000, -0.0027970600000000 ]  - [   0.0018527900000000, -0.0010791900000000, -0.0030031700000000 ]  - [   0.0018610000000000, -0.0010649700000000, -0.0030031700000000 ]  - [   0.0018658700000000, -0.0010772600000000, -0.0029933100000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0053999500000000, -0.0031176700000000, -0.0087029900000000 ]  - [   0.0000648900000000, -0.0007100300000000,  0.0022446100000000 ]  - [   0.0006473500000000,  0.0002988200000000,  0.0022446100000000 ]  - [   0.0006291200000000, -0.0003632200000000,  0.0021699100000000 ]  - [   0.0005712000000000,  0.0003403700000000,  0.0021068500000000 ]  - [   0.0005550000000000,  0.0003204300000000,  0.0020888500000000 ]  - [   0.0005803700000000,  0.0003244900000000,  0.0021068500000000 ]  - [   0.0005852600000000,  0.0003379000000000,  0.0020911500000000 ]  - [  -0.0000091700000000, -0.0006648600000000,  0.0021068500000000 ]  - [   0.0000091700000000, -0.0006648600000000,  0.0021068500000000 ]  - [   0.0000000000000000, -0.0006408500000000,  0.0020888500000000 ]  - [   0.0000000000000000, -0.0006758000000000,  0.0020911500000000 ]  - [   0.0000000000000000,  0.0062353300000000, -0.0087029900000000 ]  - [   0.0000000000000000,  0.0007264400000000,  0.0021699100000000 ]  - [   0.0005824600000000,  0.0004112100000000,  0.0022446100000000 ]  - [  -0.0005824600000000,  0.0004112100000000,  0.0022446100000000 ]  - [  -0.0053999500000000, -0.0031176700000000, -0.0087029900000000 ]  - [  -0.0000648900000000, -0.0007100300000000,  0.0022446100000000 ]  - [  -0.0006291200000000, -0.0003632200000000,  0.0021699100000000 ]  - [  -0.0006473500000000,  0.0002988200000000,  0.0022446100000000 ]  - [  -0.0005550000000000,  0.0003204300000000,  0.0020888500000000 ]  - [  -0.0005712000000000,  0.0003403700000000,  0.0021068500000000 ]  - [  -0.0005803700000000,  0.0003244900000000,  0.0021068500000000 ]  - [  -0.0005852600000000,  0.0003379000000000,  0.0020911500000000 ]  - [  -0.0005207400000000, -0.0003006500000000,  0.0046564100000000 ]  - [   0.0005207400000000, -0.0003006500000000,  0.0046564100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046308000000000 ]  - [   0.0000000000000000,  0.0006012900000000,  0.0046564100000000 ]  - [  -0.0000313400000000, -0.0000181000000000,  0.0046840500000000 ]  - [   0.0000313400000000, -0.0000181000000000,  0.0046840500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046066000000000 ]  - [   0.0000000000000000,  0.0000361900000000,  0.0046840500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0477327400000000 ]  - [   0.0000000000000000,  0.0001075700000000,  0.0038900000000000 ]  - [  -0.0000931600000000, -0.0000537800000000,  0.0038900000000000 ]  - [   0.0000931600000000, -0.0000537800000000,  0.0038900000000000 ]  - [  -0.0000141400000000,  0.0000081700000000,  0.0037718100000000 ]  - [   0.0000141400000000,  0.0000081700000000,  0.0037718100000000 ]  - [   0.0000000000000000, -0.0000163300000000,  0.0037718100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037774700000000 ]  - [   0.0004007300000000, -0.0002313600000000, -0.0019353600000000 ]  - [   0.0005868400000000, -0.0014511000000000, -0.0010949100000000 ]  - [   0.0015501100000000,  0.0002173300000000, -0.0010949100000000 ]  - [   0.0004235700000000, -0.0002445500000000, -0.0019671900000000 ]  - [   0.0004911700000000,  0.0002835800000000, -0.0019530600000000 ]  - [   0.0004735700000000,  0.0002898200000000, -0.0019263800000000 ]  - [   0.0004545300000000,  0.0002624200000000, -0.0018920200000000 ]  - [   0.0004877800000000,  0.0002652100000000, -0.0019263800000000 ]  - [   0.0000000000000000, -0.0005671500000000, -0.0019530600000000 ]  - [   0.0000000000000000, -0.0005248400000000, -0.0018920200000000 ]  - [  -0.0000142100000000, -0.0005550400000000, -0.0019263800000000 ]  - [   0.0000142100000000, -0.0005550400000000, -0.0019263800000000 ]  - [   0.0009632700000000,  0.0012337700000000, -0.0010949100000000 ]  - [  -0.0009632700000000,  0.0012337700000000, -0.0010949100000000 ]  - [   0.0000000000000000,  0.0004627200000000, -0.0019353600000000 ]  - [   0.0000000000000000,  0.0004891000000000, -0.0019671900000000 ]  - [  -0.0005868400000000, -0.0014511000000000, -0.0010949100000000 ]  - [  -0.0004007300000000, -0.0002313600000000, -0.0019353600000000 ]  - [  -0.0015501100000000,  0.0002173300000000, -0.0010949100000000 ]  - [  -0.0004235700000000, -0.0002445500000000, -0.0019671900000000 ]  - [  -0.0004911700000000,  0.0002835800000000, -0.0019530600000000 ]  - [  -0.0004735700000000,  0.0002898200000000, -0.0019263800000000 ]  - [  -0.0004877800000000,  0.0002652100000000, -0.0019263800000000 ]  - [  -0.0004545300000000,  0.0002624200000000, -0.0018920200000000 ]  - [  -0.0060414600000000,  0.0034880400000000, -0.0089343500000000 ]  - [  -0.0019408000000000,  0.0011180200000000, -0.0030165600000000 ]  - [  -0.0019386300000000,  0.0011217700000000, -0.0030165600000000 ]  - [  -0.0017928600000000,  0.0010351100000000, -0.0027277100000000 ]  - [  -0.0019535000000000, -0.0011278500000000, -0.0031732500000000 ]  - [  -0.0018829200000000, -0.0010772800000000, -0.0029787600000000 ]  - [  -0.0018705100000000, -0.0010799400000000, -0.0029852000000000 ]  - [  -0.0018744100000000, -0.0010920200000000, -0.0029787600000000 ]  - [   0.0000000000000000,  0.0022557000000000, -0.0031732500000000 ]  - [   0.0000000000000000,  0.0021598800000000, -0.0029852000000000 ]  - [  -0.0000085100000000,  0.0021693000000000, -0.0029787600000000 ]  - [   0.0000085100000000,  0.0021693000000000, -0.0029787600000000 ]  - [   0.0000021700000000, -0.0022397900000000, -0.0030165600000000 ]  - [  -0.0000021700000000, -0.0022397900000000, -0.0030165600000000 ]  - [   0.0000000000000000, -0.0069760700000000, -0.0089343500000000 ]  - [   0.0000000000000000, -0.0020702100000000, -0.0027277100000000 ]  - [   0.0019408000000000,  0.0011180200000000, -0.0030165600000000 ]  - [   0.0060414600000000,  0.0034880400000000, -0.0089343500000000 ]  - [   0.0019386300000000,  0.0011217700000000, -0.0030165600000000 ]  - [   0.0017928600000000,  0.0010351100000000, -0.0027277100000000 ]  - [   0.0019535000000000, -0.0011278500000000, -0.0031732500000000 ]  - [   0.0018829200000000, -0.0010772800000000, -0.0029787600000000 ]  - [   0.0018744100000000, -0.0010920200000000, -0.0029787600000000 ]  - [   0.0018705100000000, -0.0010799400000000, -0.0029852000000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0004064200000000, -0.0002787100000000,  0.0020660900000000 ]  - [   0.0005042600000000, -0.0002090600000000,  0.0023781700000000 ]  - [  -0.0003132100000000, -0.0006227700000000,  0.0020184000000000 ]  - [   0.0031469500000000, -0.0034320500000000,  0.0028177200000000 ]  - [   0.0004451600000000,  0.0004025600000000,  0.0021397500000000 ]  - [   0.0009769800000000,  0.0007466800000000,  0.0022565800000000 ]  - [   0.0005044200000000,  0.0002728000000000,  0.0020265800000000 ]  - [   0.0005548500000000,  0.0003371800000000,  0.0020441900000000 ]  - [  -0.0002012600000000, -0.0005414000000000,  0.0020632500000000 ]  - [   0.0000108800000000, -0.0005585500000000,  0.0019986800000000 ]  - [  -0.0001000600000000, -0.0012974000000000,  0.0023529600000000 ]  - [  -0.0000384400000000, -0.0006164400000000,  0.0020191800000000 ]  - [  -0.0005628600000000,  0.0009895300000000,  0.0023277100000000 ]  - [   0.0285725300000000,  0.0067768400000000,  0.0282962500000000 ]  - [   0.0006581500000000,  0.0005693400000000,  0.0024282200000000 ]  - [   0.0000353300000000,  0.0007201600000000,  0.0020858300000000 ]  - [  -0.0009602000000000, -0.0001659600000000,  0.0024115100000000 ]  - [  -0.0002130000000000, -0.0006171300000000,  0.0024975600000000 ]  - [   0.0047175600000000, -0.0039227100000000,  0.0071936100000000 ]  - [  -0.0005714600000000, -0.0003905600000000,  0.0019478300000000 ]  - [  -0.0011050800000000,  0.0007226700000000,  0.0020415800000000 ]  - [  -0.0005520400000000,  0.0002984300000000,  0.0020481100000000 ]  - [  -0.0005405600000000,  0.0002969100000000,  0.0020724400000000 ]  - [  -0.0004903500000000,  0.0002979400000000,  0.0020001200000000 ]  - [   0.0000749400000000, -0.0000141400000000,  0.0044990500000000 ]  - [  -0.0000105200000000,  0.0000112100000000,  0.0043671500000000 ]  - [  -0.0006858200000000, -0.0002251300000000,  0.0054993400000000 ]  - [   0.0001015100000000,  0.0000022100000000,  0.0045304000000000 ]  - [  -0.0000167900000000,  0.0000295400000000,  0.0045920700000000 ]  - [   0.0000075100000000, -0.0000037200000000,  0.0046236800000000 ]  - [   0.0012540000000000, -0.0006001000000000,  0.0035516900000000 ]  - [  -0.0000047900000000, -0.0000046300000000,  0.0045944200000000 ]  - [  -0.0000401300000000,  0.0000360600000000,  0.0038377500000000 ]  - [   0.0010387800000000,  0.0023212700000000,  0.0036540200000000 ]  - [   0.0010640800000000,  0.0030915500000000,  0.0026888100000000 ]  - [   0.0000227300000000,  0.0000083500000000,  0.0038142200000000 ]  - [   0.0000651200000000, -0.0000346500000000,  0.0037517900000000 ]  - [  -0.0000573200000000, -0.0000603600000000,  0.0037659800000000 ]  - [   0.0000353100000000,  0.0000938300000000,  0.0037529800000000 ]  - [  -0.0000021000000000, -0.0000085700000000,  0.0037831800000000 ]  - [  -0.0590826100000000, -0.0014692100000000, -0.0330544300000000 ]  - [   0.0007317800000000, -0.0001884200000000, -0.0017478800000000 ]  - [   0.0004502600000000, -0.0003440500000000, -0.0018753000000000 ]  - [   0.0003412600000000, -0.0000993300000000, -0.0020214500000000 ]  - [   0.0005002900000000,  0.0002815800000000, -0.0019014700000000 ]  - [   0.0004976600000000,  0.0002723500000000, -0.0018928600000000 ]  - [   0.0005162300000000,  0.0003773000000000, -0.0018561500000000 ]  - [   0.0004699800000000,  0.0002831700000000, -0.0019065400000000 ]  - [  -0.0000112200000000, -0.0005703200000000, -0.0019164200000000 ]  - [  -0.0000309500000000, -0.0006926500000000, -0.0018566700000000 ]  - [  -0.0000107400000000, -0.0005687600000000, -0.0019005900000000 ]  - [   0.0000056200000000, -0.0005497000000000, -0.0019089200000000 ]  - [   0.0012707600000000, -0.0024116500000000, -0.0022038000000000 ]  - [   0.0001208600000000,  0.0005622400000000, -0.0018809500000000 ]  - [   0.0025605000000000, -0.0014832600000000, -0.0012403900000000 ]  - [   0.0000291000000000,  0.0006106900000000, -0.0018826900000000 ]  - [   0.0058178300000000, -0.0001742600000000, -0.0024032200000000 ]  - [   0.0077777300000000, -0.0015945200000000, -0.0015113000000000 ]  - [  -0.0004588600000000, -0.0003243100000000, -0.0019163800000000 ]  - [  -0.0004564700000000, -0.0002217500000000, -0.0019125600000000 ]  - [  -0.0004969200000000,  0.0002792400000000, -0.0018909500000000 ]  - [  -0.0004359600000000,  0.0002154900000000, -0.0018705600000000 ]  - [  -0.0003450200000000,  0.0002663000000000, -0.0018549600000000 ]  - [  -0.0006286400000000,  0.0003975000000000, -0.0019194300000000 ]  - [  -0.0017190100000000,  0.0009835200000000, -0.0031975700000000 ]  - [  -0.0000378300000000,  0.0035691000000000, -0.0020067200000000 ]  - [  -0.0024676000000000,  0.0002849900000000, -0.0033718400000000 ]  - [  -0.0018245800000000,  0.0010220800000000, -0.0030086700000000 ]  - [  -0.0018720300000000, -0.0010895200000000, -0.0029769200000000 ]  - [  -0.0017099300000000, -0.0012091400000000, -0.0030539700000000 ]  - [  -0.0018708400000000, -0.0010706700000000, -0.0029525900000000 ]  - [  -0.0018877500000000, -0.0010364400000000, -0.0030009900000000 ]  - [   0.0000212900000000,  0.0021682700000000, -0.0029842100000000 ]  - [  -0.0000116900000000,  0.0021428500000000, -0.0029528600000000 ]  - [   0.0003255700000000,  0.0021559800000000, -0.0026094300000000 ]  - [  -0.0000271700000000,  0.0021396700000000, -0.0029882100000000 ]  - [   0.0014207900000000, -0.0011524700000000, -0.0047739200000000 ]  - [   0.0000115800000000, -0.0021745400000000, -0.0029892500000000 ]  - [   0.0001325100000000, -0.0021962400000000, -0.0030290100000000 ]  - [  -0.0001262400000000, -0.0021759900000000, -0.0030252200000000 ]  - [   0.0013115500000000,  0.0013123900000000, -0.0026500400000000 ]  - [   0.0020070200000000,  0.0009691900000000, -0.0030136000000000 ]  - [   0.0018554500000000,  0.0011108500000000, -0.0030459500000000 ]  - [   0.0019857600000000,  0.0013615600000000, -0.0029571200000000 ]  - [   0.0019204900000000, -0.0011000800000000, -0.0030301000000000 ]  - [   0.0019021400000000, -0.0011531800000000, -0.0029459200000000 ]  - [   0.0019342100000000, -0.0010551700000000, -0.0029678400000000 ]  - [   0.0018623400000000, -0.0010817200000000, -0.0029810700000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007570500000000, -0.0003860200000000,  0.0020969800000000 ]  - [   0.0006655100000000, -0.0004612200000000,  0.0017920100000000 ]  - [   0.0014774400000000, -0.0000617100000000,  0.0021461100000000 ]  - [  -0.0020392900000000,  0.0027963900000000,  0.0013297400000000 ]  - [   0.0007071900000000,  0.0002805600000000,  0.0020305800000000 ]  - [   0.0001749500000000, -0.0000778300000000,  0.0019135500000000 ]  - [   0.0006677600000000,  0.0004318800000000,  0.0021345000000000 ]  - [   0.0005863800000000,  0.0003464100000000,  0.0021291600000000 ]  - [   0.0001865400000000, -0.0007889600000000,  0.0021013700000000 ]  - [  -0.0000171000000000, -0.0007861900000000,  0.0021666400000000 ]  - [   0.0000950400000000, -0.0000311700000000,  0.0018163000000000 ]  - [   0.0000326900000000, -0.0007195800000000,  0.0021479900000000 ]  - [   0.0005706200000000,  0.0003573300000000,  0.0018552900000000 ]  - [  -0.0293200100000000, -0.0057355200000000, -0.0251404500000000 ]  - [  -0.0006493700000000,  0.0007721800000000,  0.0017476200000000 ]  - [  -0.0000249400000000,  0.0006148100000000,  0.0020845800000000 ]  - [  -0.0001969900000000, -0.0005133600000000,  0.0017588200000000 ]  - [  -0.0009543600000000, -0.0000459500000000,  0.0016603400000000 ]  - [  -0.0058547100000000,  0.0031037500000000, -0.0029353300000000 ]  - [  -0.0005692400000000, -0.0003028600000000,  0.0022194800000000 ]  - [  -0.0000478300000000, -0.0000595800000000,  0.0021176400000000 ]  - [  -0.0006093000000000,  0.0003784200000000,  0.0021120800000000 ]  - [  -0.0006118400000000,  0.0003810700000000,  0.0020927800000000 ]  - [  -0.0006697800000000,  0.0003918500000000,  0.0021660800000000 ]  - [  -0.0000672600000000,  0.0000140400000000,  0.0047363600000000 ]  - [   0.0000047700000000, -0.0000085500000000,  0.0048666200000000 ]  - [   0.0007278800000000,  0.0002092200000000,  0.0037200400000000 ]  - [  -0.0001014400000000, -0.0000110300000000,  0.0046880100000000 ]  - [   0.0000149500000000, -0.0000160800000000,  0.0046424900000000 ]  - [  -0.0000136000000000,  0.0000142900000000,  0.0046129900000000 ]  - [  -0.0012633600000000,  0.0006046700000000,  0.0056991100000000 ]  - [   0.0000061900000000,  0.0000077900000000,  0.0046346900000000 ]  - [   0.0000343700000000, -0.0000280700000000,  0.0037284500000000 ]  - [  -0.0010372900000000, -0.0023210800000000,  0.0039248400000000 ]  - [  -0.0010634000000000, -0.0030559800000000,  0.0048769900000000 ]  - [  -0.0000272900000000, -0.0000037700000000,  0.0037495400000000 ]  - [  -0.0000657700000000,  0.0000273600000000,  0.0038187500000000 ]  - [   0.0000575100000000,  0.0000488600000000,  0.0037982100000000 ]  - [  -0.0000311000000000, -0.0000990600000000,  0.0038206100000000 ]  - [   0.0000042300000000, -0.0000007300000000,  0.0037811900000000 ]  - [   0.0607757000000000,  0.0013009400000000,  0.0301698300000000 ]  - [   0.0001827400000000, -0.0003419300000000, -0.0020439000000000 ]  - [   0.0004628400000000, -0.0001852000000000, -0.0019189500000000 ]  - [   0.0005760900000000, -0.0004296100000000, -0.0017684300000000 ]  - [   0.0004149200000000,  0.0002559000000000, -0.0018859600000000 ]  - [   0.0004114800000000,  0.0002634200000000, -0.0019022800000000 ]  - [   0.0004000500000000,  0.0001542600000000, -0.0019304000000000 ]  - [   0.0004442500000000,  0.0002504100000000, -0.0018874100000000 ]  - [   0.0000112700000000, -0.0004957900000000, -0.0018656300000000 ]  - [   0.0000309600000000, -0.0003687500000000, -0.0019248300000000 ]  - [   0.0000083300000000, -0.0004975100000000, -0.0018800700000000 ]  - [  -0.0000102400000000, -0.0005158100000000, -0.0018727500000000 ]  - [  -0.0012580200000000,  0.0034352000000000, -0.0015851000000000 ]  - [  -0.0001241900000000,  0.0004989800000000, -0.0019083500000000 ]  - [  -0.0025565600000000,  0.0025553900000000, -0.0025545300000000 ]  - [  -0.0000268900000000,  0.0004579100000000, -0.0018962500000000 ]  - [  -0.0065369500000000, -0.0003566900000000, -0.0014006000000000 ]  - [  -0.0089193100000000,  0.0010514300000000, -0.0022846300000000 ]  - [  -0.0004616700000000, -0.0002049900000000, -0.0018676200000000 ]  - [  -0.0004598900000000, -0.0003118200000000, -0.0018723600000000 ]  - [  -0.0004136600000000,  0.0002547100000000, -0.0019035400000000 ]  - [  -0.0004758900000000,  0.0003165600000000, -0.0019222100000000 ]  - [  -0.0005649200000000,  0.0002656000000000, -0.0019350600000000 ]  - [  -0.0002887300000000,  0.0001314600000000, -0.0018709400000000 ]  - [  -0.0020128600000000,  0.0011739700000000, -0.0027791500000000 ]  - [  -0.0037112400000000, -0.0014186900000000, -0.0039767200000000 ]  - [  -0.0012688500000000,  0.0018539000000000, -0.0026007800000000 ]  - [  -0.0019083900000000,  0.0011379700000000, -0.0029684700000000 ]  - [  -0.0018550500000000, -0.0010769500000000, -0.0029934000000000 ]  - [  -0.0020216800000000, -0.0009530900000000, -0.0029214700000000 ]  - [  -0.0018604200000000, -0.0010934200000000, -0.0030219300000000 ]  - [  -0.0018463000000000, -0.0011294500000000, -0.0029801800000000 ]  - [  -0.0000136000000000,  0.0021486900000000, -0.0029992200000000 ]  - [   0.0000162600000000,  0.0021732800000000, -0.0030278800000000 ]  - [  -0.0003201400000000,  0.0021581800000000, -0.0033626700000000 ]  - [   0.0000274900000000,  0.0021727900000000, -0.0029907000000000 ]  - [  -0.0014160000000000, -0.0031567100000000, -0.0012101200000000 ]  - [  -0.0000144400000000, -0.0021424500000000, -0.0029842000000000 ]  - [  -0.0001351800000000, -0.0021158700000000, -0.0029478900000000 ]  - [   0.0001189800000000, -0.0021363900000000, -0.0029564300000000 ]  - [   0.0024122800000000,  0.0008677100000000, -0.0033040300000000 ]  - [   0.0017247200000000,  0.0011851300000000, -0.0029638700000000 ]  - [   0.0018747800000000,  0.0010558600000000, -0.0029301000000000 ]  - [   0.0017458900000000,  0.0008022000000000, -0.0030280400000000 ]  - [   0.0018123300000000, -0.0010637100000000, -0.0029502700000000 ]  - [   0.0018244400000000, -0.0010099500000000, -0.0030282000000000 ]  - [   0.0018011100000000, -0.0011013200000000, -0.0030121800000000 ]  - [   0.0018683800000000, -0.0010823300000000, -0.0029929100000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0004827000000000, -0.0002786800000000,  0.0020604800000000 ]  - [   0.0011237400000000, -0.0002686200000000,  0.0029694200000000 ]  - [   0.0007945100000000, -0.0008388800000000,  0.0029694200000000 ]  - [   0.0020836400000000, -0.0012029900000000,  0.0045767000000000 ]  - [   0.0006652600000000,  0.0003376400000000,  0.0021423800000000 ]  - [   0.0003174000000000,  0.0003677200000000,  0.0024060600000000 ]  - [   0.0005583400000000,  0.0003371200000000,  0.0020900500000000 ]  - [   0.0005832600000000,  0.0003260800000000,  0.0021205900000000 ]  - [   0.0000402300000000, -0.0007449500000000,  0.0021423800000000 ]  - [  -0.0000127800000000, -0.0006521000000000,  0.0020900500000000 ]  - [  -0.0001597600000000, -0.0004587400000000,  0.0024060600000000 ]  - [   0.0000092400000000, -0.0006681600000000,  0.0021205900000000 ]  - [  -0.0004781600000000,  0.0010146100000000,  0.0027250900000000 ]  - [   0.0257212700000000,  0.0072443000000000,  0.0309494300000000 ]  - [   0.0001971100000000,  0.0002299000000000,  0.0027608700000000 ]  - [  -0.0001165200000000,  0.0006753600000000,  0.0019572600000000 ]  - [  -0.0011177600000000, -0.0000932100000000,  0.0027250900000000 ]  - [  -0.0001005400000000, -0.0002856500000000,  0.0027608700000000 ]  - [   0.0065868800000000, -0.0258974200000000,  0.0309494300000000 ]  - [  -0.0006431400000000, -0.0002367700000000,  0.0019572600000000 ]  - [  -0.0005157600000000,  0.0002977700000000,  0.0011146400000000 ]  - [  -0.0005762400000000,  0.0003514300000000,  0.0020998700000000 ]  - [  -0.0005924700000000,  0.0003233300000000,  0.0020998700000000 ]  - [  -0.0005630100000000,  0.0003250500000000,  0.0020734600000000 ]  - [   0.0000526300000000, -0.0000941700000000,  0.0045352300000000 ]  - [  -0.0001566100000000,  0.0000904200000000,  0.0043890200000000 ]  - [   0.0024262700000000, -0.0014008100000000,  0.0051848600000000 ]  - [   0.0001078700000000,  0.0000015000000000,  0.0045352300000000 ]  - [   0.0000301100000000,  0.0000221100000000,  0.0045535100000000 ]  - [  -0.0000145300000000,  0.0000083900000000,  0.0046055700000000 ]  - [  -0.0021075500000000,  0.0012167900000000,  0.0072960100000000 ]  - [  -0.0000040900000000, -0.0000371300000000,  0.0045535100000000 ]  - [  -0.0000376100000000,  0.0000217100000000,  0.0038159100000000 ]  - [  -0.0005823900000000, -0.0000557800000000,  0.0029802500000000 ]  - [  -0.0002428900000000,  0.0005322600000000,  0.0029802500000000 ]  - [   0.0000438100000000, -0.0000252900000000,  0.0038456900000000 ]  - [  -0.0000017700000000,  0.0000010200000000,  0.0038360800000000 ]  - [  -0.0000785700000000, -0.0000587000000000,  0.0038123100000000 ]  - [   0.0000115500000000,  0.0000973900000000,  0.0038123100000000 ]  - [  -0.0000026900000000,  0.0000015500000000,  0.0037742000000000 ]  - [  -0.0305578000000000,  0.0176425600000000, -0.0722019700000000 ]  - [   0.0005967700000000, -0.0002083800000000, -0.0019686300000000 ]  - [   0.0004788400000000, -0.0004126300000000, -0.0019686300000000 ]  - [   0.0003319900000000, -0.0001916700000000, -0.0022191800000000 ]  - [   0.0004637400000000,  0.0002585500000000, -0.0019192000000000 ]  - [   0.0004484200000000,  0.0002441700000000, -0.0019208600000000 ]  - [   0.0005002100000000,  0.0002844100000000, -0.0017290500000000 ]  - [   0.0004503500000000,  0.0002525300000000, -0.0018865600000000 ]  - [   0.0000079600000000, -0.0005308900000000, -0.0019192000000000 ]  - [   0.0000038000000000, -0.0005754000000000, -0.0017290500000000 ]  - [   0.0000127600000000, -0.0005104300000000, -0.0019208600000000 ]  - [   0.0000064800000000, -0.0005162800000000, -0.0018865600000000 ]  - [   0.0001871800000000,  0.0000777200000000, -0.0030358400000000 ]  - [   0.0000245700000000,  0.0005247100000000, -0.0019153500000000 ]  - [   0.0002860500000000,  0.0011251400000000, -0.0030078800000000 ]  - [   0.0000378600000000,  0.0005222100000000, -0.0019148000000000 ]  - [   0.0000262800000000, -0.0002009600000000, -0.0030358400000000 ]  - [  -0.0008313700000000, -0.0008103000000000, -0.0030078800000000 ]  - [  -0.0004421300000000, -0.0002836400000000, -0.0019153500000000 ]  - [  -0.0004333200000000, -0.0002939000000000, -0.0019148000000000 ]  - [  -0.0004647800000000,  0.0002683400000000, -0.0019171200000000 ]  - [  -0.0004816600000000,  0.0002951300000000, -0.0019546200000000 ]  - [  -0.0004964200000000,  0.0002695700000000, -0.0019546200000000 ]  - [  -0.0004369100000000,  0.0002522500000000, -0.0018985300000000 ]  - [  -0.0019919100000000,  0.0011500300000000, -0.0031843700000000 ]  - [  -0.0007866900000000,  0.0032525700000000, -0.0027773800000000 ]  - [  -0.0032101600000000, -0.0009449900000000, -0.0027773800000000 ]  - [  -0.0019296200000000,  0.0011140700000000, -0.0029871200000000 ]  - [  -0.0018598100000000, -0.0010877100000000, -0.0029854600000000 ]  - [  -0.0019993900000000, -0.0013015900000000, -0.0023900600000000 ]  - [  -0.0018874600000000, -0.0010946400000000, -0.0029880600000000 ]  - [  -0.0018403600000000, -0.0011319300000000, -0.0030262700000000 ]  - [   0.0000120800000000,  0.0021545000000000, -0.0029854600000000 ]  - [   0.0000042600000000,  0.0021819000000000, -0.0029880600000000 ]  - [   0.0001275200000000,  0.0023823200000000, -0.0023900600000000 ]  - [   0.0000601000000000,  0.0021597600000000, -0.0030262700000000 ]  - [  -0.0024680500000000, -0.0031561900000000,  0.0014890400000000 ]  - [  -0.0000461900000000, -0.0021366000000000, -0.0030721500000000 ]  - [   0.0001391300000000, -0.0021480400000000, -0.0030519600000000 ]  - [  -0.0000998400000000, -0.0019835500000000, -0.0031516800000000 ]  - [   0.0014993200000000,  0.0037154900000000,  0.0014890400000000 ]  - [   0.0019298300000000,  0.0009535300000000, -0.0030519600000000 ]  - [   0.0018272500000000,  0.0011083000000000, -0.0030721500000000 ]  - [   0.0016678800000000,  0.0010782400000000, -0.0031516800000000 ]  - [   0.0018085800000000, -0.0010441800000000, -0.0029823500000000 ]  - [   0.0018302200000000, -0.0011263000000000, -0.0029943800000000 ]  - [   0.0018905200000000, -0.0010218600000000, -0.0029943800000000 ]  - [   0.0018729200000000, -0.0010813300000000, -0.0029843300000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0006688000000000, -0.0003861300000000,  0.0021002400000000 ]  - [   0.0000335300000000, -0.0004007700000000,  0.0012039000000000 ]  - [   0.0003638500000000,  0.0001713500000000,  0.0012039000000000 ]  - [  -0.0009549400000000,  0.0005513300000000, -0.0004600100000000 ]  - [   0.0004726700000000,  0.0003340700000000,  0.0020240800000000 ]  - [   0.0008415800000000,  0.0003121100000000,  0.0017744500000000 ]  - [   0.0005969000000000,  0.0003323300000000,  0.0020739700000000 ]  - [   0.0005610600000000,  0.0003342500000000,  0.0020504100000000 ]  - [  -0.0000529800000000, -0.0005763800000000,  0.0020240800000000 ]  - [   0.0000106400000000, -0.0006830900000000,  0.0020739700000000 ]  - [   0.0001504900000000, -0.0008848800000000,  0.0017744500000000 ]  - [  -0.0000089300000000, -0.0006530200000000,  0.0020504100000000 ]  - [   0.0004814000000000,  0.0003107500000000,  0.0014494800000000 ]  - [  -0.0266124600000000, -0.0061287600000000, -0.0274443600000000 ]  - [  -0.0001851000000000,  0.0011066100000000,  0.0014015900000000 ]  - [   0.0001157800000000,  0.0006382000000000,  0.0022194000000000 ]  - [  -0.0000284200000000, -0.0005722800000000,  0.0014494800000000 ]  - [  -0.0010509000000000, -0.0003930100000000,  0.0014015900000000 ]  - [  -0.0079985700000000,  0.0261114500000000, -0.0274443600000000 ]  - [  -0.0004948100000000, -0.0004193700000000,  0.0022194000000000 ]  - [  -0.0006501700000000,  0.0003753800000000,  0.0030445500000000 ]  - [  -0.0005670000000000,  0.0003210300000000,  0.0020629700000000 ]  - [  -0.0005615200000000,  0.0003305200000000,  0.0020629700000000 ]  - [  -0.0005926200000000,  0.0003421500000000,  0.0020946600000000 ]  - [  -0.0000576000000000,  0.0000996500000000,  0.0047039700000000 ]  - [   0.0001524700000000, -0.0000880300000000,  0.0048594100000000 ]  - [  -0.0024800600000000,  0.0014318600000000,  0.0040418900000000 ]  - [  -0.0001151000000000,  0.0000000600000000,  0.0047039700000000 ]  - [  -0.0000286600000000, -0.0000215400000000,  0.0046927900000000 ]  - [   0.0000107400000000, -0.0000062000000000,  0.0046443500000000 ]  - [   0.0020508100000000, -0.0011840300000000,  0.0020322000000000 ]  - [   0.0000043300000000,  0.0000355900000000,  0.0046927900000000 ]  - [   0.0000425200000000, -0.0000245500000000,  0.0037357500000000 ]  - [   0.0006047300000000,  0.0000781900000000,  0.0045881500000000 ]  - [   0.0002346500000000, -0.0005628100000000,  0.0045881500000000 ]  - [  -0.0000433200000000,  0.0000250100000000,  0.0036925100000000 ]  - [   0.0000080500000000, -0.0000046500000000,  0.0037120200000000 ]  - [   0.0000763200000000,  0.0000544500000000,  0.0037416900000000 ]  - [  -0.0000089900000000, -0.0000933200000000,  0.0037416900000000 ]  - [   0.0000054800000000, -0.0000031600000000,  0.0037800700000000 ]  - [   0.0326654700000000, -0.0188594200000000,  0.0697300900000000 ]  - [   0.0003107100000000, -0.0003166400000000, -0.0018312900000000 ]  - [   0.0004295800000000, -0.0001107600000000, -0.0018312900000000 ]  - [   0.0005755400000000, -0.0003322900000000, -0.0015795600000000 ]  - [   0.0004497200000000,  0.0002699100000000, -0.0018806200000000 ]  - [   0.0004574500000000,  0.0002865900000000, -0.0018780900000000 ]  - [   0.0004147600000000,  0.0002483800000000, -0.0020664700000000 ]  - [   0.0004633500000000,  0.0002723600000000, -0.0019108000000000 ]  - [  -0.0000088800000000, -0.0005244300000000, -0.0018806200000000 ]  - [  -0.0000077200000000, -0.0004833800000000, -0.0020664700000000 ]  - [  -0.0000194700000000, -0.0005394600000000, -0.0018780900000000 ]  - [  -0.0000042000000000, -0.0005374500000000, -0.0019108000000000 ]  - [  -0.0001945700000000,  0.0009965200000000, -0.0007650100000000 ]  - [  -0.0000308900000000,  0.0005287500000000, -0.0018831900000000 ]  - [  -0.0002749900000000, -0.0000917200000000, -0.0007681400000000 ]  - [  -0.0000372600000000,  0.0005266800000000, -0.0018850900000000 ]  - [  -0.0009603000000000, -0.0003297600000000, -0.0007650100000000 ]  - [  -0.0000580600000000,  0.0002840100000000, -0.0007681400000000 ]  - [  -0.0004733500000000, -0.0002376200000000, -0.0018831900000000 ]  - [  -0.0004747400000000, -0.0002310700000000, -0.0018850900000000 ]  - [  -0.0004466300000000,  0.0002578600000000, -0.0018862300000000 ]  - [  -0.0004239600000000,  0.0002328800000000, -0.0018459800000000 ]  - [  -0.0004136600000000,  0.0002507200000000, -0.0018459800000000 ]  - [  -0.0004764100000000,  0.0002750600000000, -0.0019046200000000 ]  - [  -0.0017430000000000,  0.0010063200000000, -0.0027837100000000 ]  - [  -0.0029551900000000, -0.0011103100000000, -0.0032016500000000 ]  - [  -0.0005160300000000,  0.0031144200000000, -0.0032016500000000 ]  - [  -0.0017990700000000,  0.0010386900000000, -0.0029720000000000 ]  - [  -0.0018752800000000, -0.0010738300000000, -0.0029796900000000 ]  - [  -0.0017289600000000, -0.0008693900000000, -0.0035502300000000 ]  - [  -0.0018485800000000, -0.0010654400000000, -0.0029822200000000 ]  - [  -0.0018933200000000, -0.0010266500000000, -0.0029418400000000 ]  - [  -0.0000076800000000,  0.0021609600000000, -0.0029796900000000 ]  - [  -0.0000015900000000,  0.0021336400000000, -0.0029822200000000 ]  - [  -0.0001115700000000,  0.0019320200000000, -0.0035502300000000 ]  - [  -0.0000575500000000,  0.0021529900000000, -0.0029418400000000 ]  - [   0.0025086500000000, -0.0011372400000000, -0.0075394600000000 ]  - [   0.0000503200000000, -0.0021725800000000, -0.0028863400000000 ]  - [  -0.0001288400000000, -0.0021608000000000, -0.0029138900000000 ]  - [   0.0001009000000000, -0.0023281900000000, -0.0028207300000000 ]  - [   0.0022392000000000, -0.0016039400000000, -0.0075394600000000 ]  - [   0.0018068900000000,  0.0011919800000000, -0.0029138900000000 ]  - [   0.0019066700000000,  0.0010427100000000, -0.0028863400000000 ]  - [   0.0020667200000000,  0.0010767200000000, -0.0028207300000000 ]  - [   0.0019242600000000, -0.0011109700000000, -0.0029760700000000 ]  - [   0.0019003300000000, -0.0010298800000000, -0.0029723200000000 ]  - [   0.0018420700000000, -0.0011308000000000, -0.0029723200000000 ]  - [   0.0018645300000000, -0.0010764900000000, -0.0029844700000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002829800000000,  0.0012849600000000,  0.0008081400000000 ]  - [   0.0016990800000000,  0.0010489000000000,  0.0015843000000000 ]  - [   0.0001927500000000, -0.0000344600000000,  0.0018896000000000 ]  - [   0.0004105000000000, -0.0006519100000000,  0.0022697300000000 ]  - [   0.0006332500000000,  0.0005276500000000,  0.0021324700000000 ]  - [   0.0004784300000000,  0.0003206700000000,  0.0020808900000000 ]  - [   0.0006788900000000,  0.0003571500000000,  0.0020958400000000 ]  - [   0.0003849000000000,  0.0002521700000000,  0.0019833100000000 ]  - [  -0.0000695800000000, -0.0004821900000000,  0.0019652900000000 ]  - [  -0.0000496800000000, -0.0006767900000000,  0.0020794000000000 ]  - [   0.0000676200000000, -0.0006967400000000,  0.0021090300000000 ]  - [  -0.0000771100000000, -0.0007659400000000,  0.0021873400000000 ]  - [   0.0119994000000000,  0.0082479700000000,  0.0139145400000000 ]  - [  -0.0006270500000000,  0.0009088100000000,  0.0020672100000000 ]  - [   0.0002427300000000,  0.0005592300000000,  0.0021604900000000 ]  - [   0.0004459400000000,  0.0000504900000000,  0.0012985400000000 ]  - [   0.0031629300000000, -0.0000590000000000,  0.0061791500000000 ]  - [  -0.0004982100000000, -0.0004638900000000,  0.0023728500000000 ]  - [  -0.0006118600000000, -0.0001559500000000,  0.0018437400000000 ]  - [  -0.0003159800000000,  0.0004108000000000,  0.0017890800000000 ]  - [  -0.0005504100000000,  0.0004093100000000,  0.0021376600000000 ]  - [  -0.0006064000000000,  0.0003826400000000,  0.0020473200000000 ]  - [  -0.0004489500000000,  0.0002872500000000,  0.0019929600000000 ]  - [  -0.0006659300000000,  0.0003154300000000,  0.0021481800000000 ]  - [   0.0008736300000000,  0.0024849500000000,  0.0040563300000000 ]  - [  -0.0000518200000000,  0.0000810900000000,  0.0045996700000000 ]  - [   0.0000361700000000,  0.0000123300000000,  0.0047154800000000 ]  - [   0.0011513700000000,  0.0019616400000000,  0.0042399800000000 ]  - [   0.0000394200000000,  0.0000178900000000,  0.0045477500000000 ]  - [   0.0000183900000000, -0.0000242200000000,  0.0046276400000000 ]  - [  -0.0000083100000000,  0.0000000700000000,  0.0045935600000000 ]  - [   0.0000046800000000, -0.0000811700000000,  0.0046115800000000 ]  - [   0.0017948100000000, -0.0018104700000000,  0.0079294400000000 ]  - [  -0.0000442000000000, -0.0000411300000000,  0.0038489800000000 ]  - [   0.0000415000000000,  0.0000765000000000,  0.0038463700000000 ]  - [   0.0000555400000000,  0.0002210000000000,  0.0037030800000000 ]  - [   0.0000882500000000, -0.0000909900000000,  0.0038664900000000 ]  - [   0.0000092600000000, -0.0000097900000000,  0.0037921900000000 ]  - [  -0.0000398700000000, -0.0000051500000000,  0.0037856400000000 ]  - [   0.0000429700000000,  0.0000139300000000,  0.0037780500000000 ]  - [   0.0006058300000000, -0.0003553400000000, -0.0020202100000000 ]  - [   0.0023035200000000,  0.0003546200000000, -0.0008097700000000 ]  - [  -0.0001370900000000,  0.0008272100000000, -0.0032407800000000 ]  - [   0.0004985100000000, -0.0003259800000000, -0.0019615400000000 ]  - [   0.0006162200000000,  0.0003628100000000, -0.0020285700000000 ]  - [   0.0004529400000000,  0.0002627800000000, -0.0018880000000000 ]  - [   0.0004555000000000,  0.0002747000000000, -0.0019142400000000 ]  - [   0.0004375700000000,  0.0002784700000000, -0.0018701000000000 ]  - [   0.0001268900000000, -0.0004188100000000, -0.0021574600000000 ]  - [  -0.0000135800000000, -0.0005432300000000, -0.0019170400000000 ]  - [   0.0000012000000000, -0.0005123000000000, -0.0018972200000000 ]  - [   0.0000007400000000, -0.0005609600000000, -0.0019285900000000 ]  - [   0.0014883500000000,  0.0014779000000000, -0.0040044300000000 ]  - [   0.0002283800000000,  0.0003018500000000, -0.0017975400000000 ]  - [   0.0000127800000000,  0.0005580300000000, -0.0018270500000000 ]  - [   0.0000031200000000,  0.0005111300000000, -0.0018997600000000 ]  - [  -0.0010177800000000, -0.0001288700000000, -0.0015367800000000 ]  - [  -0.0003144100000000, -0.0002272200000000, -0.0019580000000000 ]  - [  -0.0003396700000000, -0.0003876600000000, -0.0016930000000000 ]  - [  -0.0004689600000000, -0.0002357900000000, -0.0018569700000000 ]  - [  -0.0004088400000000,  0.0002408800000000, -0.0018358900000000 ]  - [  -0.0004198700000000,  0.0002638500000000, -0.0018604800000000 ]  - [  -0.0003896300000000,  0.0002046400000000, -0.0019165300000000 ]  - [  -0.0004634300000000,  0.0002647200000000, -0.0019012700000000 ]  - [  -0.0449841700000000, -0.0085685500000000, -0.0174936300000000 ]  - [  -0.0014619800000000,  0.0011438500000000, -0.0028981400000000 ]  - [  -0.0018646600000000,  0.0009108100000000, -0.0030015000000000 ]  - [  -0.0017266100000000,  0.0013550400000000, -0.0030807400000000 ]  - [  -0.0018071600000000, -0.0010452300000000, -0.0029738900000000 ]  - [  -0.0018064800000000, -0.0011289600000000, -0.0029859400000000 ]  - [  -0.0018669500000000, -0.0010530400000000, -0.0030043800000000 ]  - [  -0.0019043400000000, -0.0010244600000000, -0.0030196200000000 ]  - [  -0.0000540900000000,  0.0021354100000000, -0.0029593800000000 ]  - [   0.0000436000000000,  0.0021557200000000, -0.0029857700000000 ]  - [   0.0000112200000000,  0.0020966600000000, -0.0030060400000000 ]  - [   0.0000772900000000,  0.0021668600000000, -0.0029974700000000 ]  - [   0.0015043300000000, -0.0049953100000000, -0.0028930300000000 ]  - [   0.0000668200000000, -0.0021819000000000, -0.0030945000000000 ]  - [   0.0018317300000000, -0.0052429500000000, -0.0026977400000000 ]  - [   0.0001481600000000, -0.0022279300000000, -0.0029769300000000 ]  - [   0.0079783400000000,  0.0012158300000000, -0.0034888800000000 ]  - [   0.0117919700000000, -0.0004574600000000, -0.0025515000000000 ]  - [   0.0018428700000000,  0.0012512600000000, -0.0028882600000000 ]  - [   0.0018400200000000,  0.0011493200000000, -0.0030293900000000 ]  - [   0.0018392600000000, -0.0011420200000000, -0.0029765400000000 ]  - [   0.0018738500000000, -0.0010672200000000, -0.0029878400000000 ]  - [   0.0018555600000000, -0.0010759500000000, -0.0029897700000000 ]  - [   0.0019090600000000, -0.0010402300000000, -0.0029772500000000 ]- atom:   65  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0014218500000000, -0.0019212200000000,  0.0033455200000000 ]  - [  -0.0005890800000000, -0.0017255900000000,  0.0025971300000000 ]  - [   0.0008983100000000, -0.0005988700000000,  0.0022899100000000 ]  - [   0.0007387200000000,  0.0000004600000000,  0.0018948900000000 ]  - [   0.0004936300000000,  0.0001208100000000,  0.0020425100000000 ]  - [   0.0006582500000000,  0.0003373200000000,  0.0020904900000000 ]  - [   0.0004544400000000,  0.0002990500000000,  0.0020712000000000 ]  - [   0.0007467600000000,  0.0004077900000000,  0.0021902100000000 ]  - [   0.0000668600000000, -0.0008264600000000,  0.0021994900000000 ]  - [   0.0000334600000000, -0.0006214200000000,  0.0020887300000000 ]  - [  -0.0000697000000000, -0.0006170700000000,  0.0020595100000000 ]  - [   0.0000728600000000, -0.0005276700000000,  0.0019837800000000 ]  - [  -0.0117048700000000, -0.0065854900000000, -0.0093164800000000 ]  - [   0.0006414000000000,  0.0003921400000000,  0.0021034000000000 ]  - [  -0.0002418700000000,  0.0007582400000000,  0.0020127700000000 ]  - [  -0.0004382800000000,  0.0012574100000000,  0.0028860400000000 ]  - [  -0.0043360000000000, -0.0005551900000000, -0.0020947000000000 ]  - [  -0.0006336600000000, -0.0001962300000000,  0.0017932900000000 ]  - [  -0.0005300400000000, -0.0005037800000000,  0.0023246700000000 ]  - [  -0.0007707700000000, -0.0010479900000000,  0.0023805300000000 ]  - [  -0.0005920800000000,  0.0002465000000000,  0.0020294800000000 ]  - [  -0.0005232200000000,  0.0002621300000000,  0.0021183000000000 ]  - [  -0.0006804600000000,  0.0003708400000000,  0.0021744300000000 ]  - [  -0.0004682800000000,  0.0003237900000000,  0.0020235800000000 ]  - [  -0.0008675000000000, -0.0025067300000000,  0.0051859400000000 ]  - [   0.0000472400000000, -0.0000809800000000,  0.0046360500000000 ]  - [  -0.0000331800000000, -0.0000061600000000,  0.0045202600000000 ]  - [  -0.0011554700000000, -0.0019440300000000,  0.0049712800000000 ]  - [  -0.0000343600000000, -0.0000160600000000,  0.0046908100000000 ]  - [  -0.0000300500000000,  0.0000149500000000,  0.0046027200000000 ]  - [   0.0000128800000000,  0.0000009900000000,  0.0046422000000000 ]  - [  -0.0000024100000000,  0.0000734500000000,  0.0046165100000000 ]  - [  -0.0017869100000000,  0.0018086600000000, -0.0003241500000000 ]  - [   0.0000446300000000,  0.0000424700000000,  0.0037031900000000 ]  - [  -0.0000391400000000, -0.0000797600000000,  0.0037061500000000 ]  - [  -0.0000521700000000, -0.0002187100000000,  0.0038530200000000 ]  - [  -0.0000866700000000,  0.0000899200000000,  0.0036889800000000 ]  - [  -0.0000125700000000,  0.0000102200000000,  0.0037621600000000 ]  - [   0.0000458900000000,  0.0000065700000000,  0.0037704900000000 ]  - [  -0.0000431300000000, -0.0000178400000000,  0.0037734700000000 ]  - [   0.0003133700000000, -0.0001652800000000, -0.0017694000000000 ]  - [  -0.0013785100000000, -0.0008955600000000, -0.0029728900000000 ]  - [   0.0010599600000000, -0.0013447100000000, -0.0005466900000000 ]  - [   0.0004113600000000, -0.0002046800000000, -0.0018343100000000 ]  - [   0.0003006900000000,  0.0001670200000000, -0.0017638300000000 ]  - [   0.0004614800000000,  0.0002647400000000, -0.0019030300000000 ]  - [   0.0004581700000000,  0.0002556500000000, -0.0018764500000000 ]  - [   0.0004810600000000,  0.0002491400000000, -0.0019248800000000 ]  - [  -0.0001240100000000, -0.0006412500000000, -0.0016406900000000 ]  - [   0.0000150900000000, -0.0005117800000000, -0.0018729400000000 ]  - [  -0.0000100300000000, -0.0005421200000000, -0.0018957100000000 ]  - [   0.0000003700000000, -0.0004940200000000, -0.0018633500000000 ]  - [  -0.0014911400000000, -0.0004325600000000,  0.0002279300000000 ]  - [  -0.0002284100000000,  0.0007498400000000, -0.0019929000000000 ]  - [  -0.0000090600000000,  0.0004955200000000, -0.0019688200000000 ]  - [  -0.0000129400000000,  0.0005476500000000, -0.0018872800000000 ]  - [   0.0000964800000000, -0.0004041200000000, -0.0022728500000000 ]  - [  -0.0005973500000000, -0.0003003500000000, -0.0018316800000000 ]  - [  -0.0005766900000000, -0.0001427900000000, -0.0020946400000000 ]  - [  -0.0004423300000000, -0.0002877900000000, -0.0019363300000000 ]  - [  -0.0005095000000000,  0.0002795700000000, -0.0019566400000000 ]  - [  -0.0004906900000000,  0.0002641100000000, -0.0019329900000000 ]  - [  -0.0005231000000000,  0.0003212200000000, -0.0018724900000000 ]  - [  -0.0004498300000000,  0.0002628800000000, -0.0018926800000000 ]  - [   0.0409170000000000,  0.0103491500000000,  0.0111155800000000 ]  - [  -0.0022783400000000,  0.0010114500000000, -0.0030741300000000 ]  - [  -0.0018727000000000,  0.0012467400000000, -0.0029736900000000 ]  - [  -0.0020096900000000,  0.0008084700000000, -0.0028939200000000 ]  - [  -0.0019322700000000, -0.0011101600000000, -0.0029943600000000 ]  - [  -0.0019302800000000, -0.0010316000000000, -0.0029881000000000 ]  - [  -0.0018726600000000, -0.0011032000000000, -0.0029641300000000 ]  - [  -0.0018317200000000, -0.0011357200000000, -0.0029554000000000 ]  - [   0.0000634600000000,  0.0021800300000000, -0.0030149700000000 ]  - [  -0.0000408000000000,  0.0021606300000000, -0.0029883200000000 ]  - [  -0.0000101900000000,  0.0022194400000000, -0.0029741000000000 ]  - [  -0.0000795100000000,  0.0021480100000000, -0.0029758400000000 ]  - [  -0.0014987700000000,  0.0007093100000000, -0.0030806400000000 ]  - [  -0.0000622700000000, -0.0021375100000000, -0.0028839100000000 ]  - [  -0.0018419600000000,  0.0009115000000000, -0.0032800900000000 ]  - [  -0.0001455800000000, -0.0020872100000000, -0.0029976100000000 ]  - [  -0.0044342700000000,  0.0009431900000000, -0.0024744400000000 ]  - [  -0.0078183200000000,  0.0025889500000000, -0.0034192200000000 ]  - [   0.0018982700000000,  0.0009090100000000, -0.0030848400000000 ]  - [   0.0018927200000000,  0.0010020400000000, -0.0029459200000000 ]  - [   0.0019016400000000, -0.0010169700000000, -0.0029986000000000 ]  - [   0.0018629800000000, -0.0010876600000000, -0.0029874600000000 ]  - [   0.0018844200000000, -0.0010727800000000, -0.0029846100000000 ]  - [   0.0018290600000000, -0.0011219000000000, -0.0029934800000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0011236200000000, -0.0006487200000000,  0.0029945500000000 ]  - [   0.0007560600000000, -0.0008133100000000,  0.0018281900000000 ]  - [   0.0010823800000000, -0.0002481200000000,  0.0018281900000000 ]  - [   0.0005290400000000, -0.0003054400000000,  0.0020813900000000 ]  - [   0.0006486300000000,  0.0004166300000000,  0.0018727000000000 ]  - [   0.0005320000000000,  0.0003547800000000,  0.0020770100000000 ]  - [   0.0005014300000000,  0.0003051500000000,  0.0020319800000000 ]  - [   0.0006950100000000,  0.0002778100000000,  0.0022297400000000 ]  - [  -0.0000365000000000, -0.0007700500000000,  0.0018727000000000 ]  - [  -0.0000135500000000, -0.0005868300000000,  0.0020319800000000 ]  - [  -0.0000412500000000, -0.0006381100000000,  0.0020770100000000 ]  - [   0.0001069100000000, -0.0007408000000000,  0.0022297400000000 ]  - [   0.0107981200000000,  0.0031450800000000,  0.0180653200000000 ]  - [  -0.0000199900000000,  0.0010811300000000,  0.0024691200000000 ]  - [  -0.0000342200000000,  0.0006423300000000,  0.0020415200000000 ]  - [  -0.0009993700000000, -0.0004970000000000,  0.0024634400000000 ]  - [   0.0026753500000000, -0.0109239900000000,  0.0180653200000000 ]  - [  -0.0005733800000000, -0.0002915300000000,  0.0020415200000000 ]  - [  -0.0009462800000000, -0.0005232500000000,  0.0024691200000000 ]  - [  -0.0000692700000000,  0.0011139800000000,  0.0024634400000000 ]  - [  -0.0005169600000000,  0.0002984700000000,  0.0020303000000000 ]  - [  -0.0005556800000000,  0.0003280500000000,  0.0021752900000000 ]  - [  -0.0005619400000000,  0.0003172000000000,  0.0021752900000000 ]  - [  -0.0004855300000000,  0.0002803200000000,  0.0020513700000000 ]  - [  -0.0002831900000000,  0.0015559600000000,  0.0034088900000000 ]  - [   0.0000433300000000, -0.0000250100000000,  0.0046233400000000 ]  - [  -0.0000118800000000,  0.0000068600000000,  0.0046537100000000 ]  - [  -0.0014891000000000, -0.0005327300000000,  0.0034088900000000 ]  - [  -0.0000361500000000, -0.0000154200000000,  0.0047098900000000 ]  - [  -0.0000056300000000,  0.0000032500000000,  0.0046164700000000 ]  - [  -0.0000024400000000,  0.0000014100000000,  0.0046021000000000 ]  - [  -0.0000047200000000,  0.0000390100000000,  0.0047098900000000 ]  - [   0.0041960100000000, -0.0024225700000000,  0.0097213500000000 ]  - [   0.0000287800000000,  0.0000251900000000,  0.0038030900000000 ]  - [  -0.0000074200000000, -0.0000375100000000,  0.0038030900000000 ]  - [  -0.0002849900000000,  0.0001645400000000,  0.0035156300000000 ]  - [   0.0001292000000000, -0.0000745900000000,  0.0039607700000000 ]  - [   0.0000544000000000, -0.0000019300000000,  0.0037664900000000 ]  - [   0.0000288700000000, -0.0000461400000000,  0.0037664900000000 ]  - [  -0.0000420000000000,  0.0000242500000000,  0.0037691600000000 ]  - [   0.0002436400000000, -0.0001406600000000, -0.0021005300000000 ]  - [   0.0014297600000000,  0.0007482800000000, -0.0016935600000000 ]  - [   0.0000668500000000, -0.0016123500000000, -0.0016935600000000 ]  - [   0.0004371700000000, -0.0002524000000000, -0.0019031900000000 ]  - [   0.0003916800000000,  0.0007224900000000, -0.0013317400000000 ]  - [   0.0004623000000000,  0.0002620400000000, -0.0019026000000000 ]  - [   0.0004889300000000,  0.0002846200000000, -0.0019038300000000 ]  - [   0.0004425700000000,  0.0002648800000000, -0.0019431100000000 ]  - [  -0.0004298500000000, -0.0007004500000000, -0.0013317400000000 ]  - [  -0.0000020200000000, -0.0005657400000000, -0.0019038300000000 ]  - [   0.0000042100000000, -0.0005313800000000, -0.0019026000000000 ]  - [  -0.0000081100000000, -0.0005157100000000, -0.0019431100000000 ]  - [  -0.0021464600000000, -0.0003268000000000,  0.0026623300000000 ]  - [  -0.0000720600000000,  0.0005231600000000, -0.0020636400000000 ]  - [  -0.0000201000000000,  0.0004867700000000, -0.0019683700000000 ]  - [   0.0000507000000000,  0.0004884500000000, -0.0019878500000000 ]  - [  -0.0007902200000000,  0.0020222900000000,  0.0026623300000000 ]  - [  -0.0004316000000000, -0.0002259800000000, -0.0019683700000000 ]  - [  -0.0004891000000000, -0.0001991800000000, -0.0020636400000000 ]  - [  -0.0003976600000000, -0.0002881300000000, -0.0019878500000000 ]  - [  -0.0004152700000000,  0.0002397600000000, -0.0018977200000000 ]  - [  -0.0004983600000000,  0.0002596800000000, -0.0019066700000000 ]  - [  -0.0004740700000000,  0.0003017500000000, -0.0019066700000000 ]  - [  -0.0004597300000000,  0.0002654300000000, -0.0019016100000000 ]  - [  -0.0163613200000000,  0.0094462100000000, -0.0464544900000000 ]  - [  -0.0017799000000000,  0.0011446900000000, -0.0030262200000000 ]  - [  -0.0018812800000000,  0.0009691000000000, -0.0030262200000000 ]  - [  -0.0019652700000000,  0.0011346500000000, -0.0032778400000000 ]  - [  -0.0018666800000000, -0.0010934500000000, -0.0029205500000000 ]  - [  -0.0018573400000000, -0.0010479300000000, -0.0029197200000000 ]  - [  -0.0018860500000000, -0.0010619900000000, -0.0029869500000000 ]  - [  -0.0019004700000000, -0.0010689200000000, -0.0029659600000000 ]  - [   0.0000136200000000,  0.0021633100000000, -0.0029205500000000 ]  - [  -0.0000233100000000,  0.0021643700000000, -0.0029869500000000 ]  - [  -0.0000211400000000,  0.0021324700000000, -0.0029197200000000 ]  - [  -0.0000245200000000,  0.0021803100000000, -0.0029659600000000 ]  - [   0.0006128400000000, -0.0024026000000000, -0.0037526400000000 ]  - [   0.0000566500000000, -0.0021743000000000, -0.0029617200000000 ]  - [  -0.0001465400000000, -0.0017208300000000, -0.0039491400000000 ]  - [  -0.0001979800000000, -0.0021573900000000, -0.0029568000000000 ]  - [   0.0023871300000000,  0.0006705700000000, -0.0037526400000000 ]  - [   0.0014170100000000,  0.0009873200000000, -0.0039491400000000 ]  - [   0.0019113300000000,  0.0010380900000000, -0.0029617200000000 ]  - [   0.0017693700000000,  0.0012501500000000, -0.0029568000000000 ]  - [   0.0018559200000000, -0.0010715200000000, -0.0030490000000000 ]  - [   0.0018679500000000, -0.0010816800000000, -0.0029903700000000 ]  - [   0.0018707400000000, -0.0010768500000000, -0.0029903700000000 ]  - [   0.0018583800000000, -0.0010729300000000, -0.0029828900000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000215900000000, -0.0000124700000000,  0.0011749900000000 ]  - [   0.0003737900000000,  0.0001793000000000,  0.0023116500000000 ]  - [   0.0000316200000000, -0.0004133600000000,  0.0023116500000000 ]  - [   0.0006208300000000, -0.0003584300000000,  0.0020842800000000 ]  - [   0.0004852800000000,  0.0002328100000000,  0.0023010900000000 ]  - [   0.0006181500000000,  0.0003190900000000,  0.0020910300000000 ]  - [   0.0006411000000000,  0.0003621700000000,  0.0021338500000000 ]  - [   0.0004398800000000,  0.0003692800000000,  0.0019390000000000 ]  - [   0.0000410300000000, -0.0005366700000000,  0.0023010900000000 ]  - [   0.0000069000000000, -0.0007362900000000,  0.0021338500000000 ]  - [   0.0000327400000000, -0.0006948800000000,  0.0020910300000000 ]  - [  -0.0000998600000000, -0.0005655800000000,  0.0019390000000000 ]  - [  -0.0104337400000000, -0.0016772900000000, -0.0136945000000000 ]  - [   0.0000333700000000,  0.0002453000000000,  0.0016979200000000 ]  - [   0.0000397000000000,  0.0006726700000000,  0.0021233500000000 ]  - [   0.0009729200000000,  0.0017578300000000,  0.0017233700000000 ]  - [  -0.0037643000000000,  0.0098745300000000, -0.0136945000000000 ]  - [  -0.0005627000000000, -0.0003707200000000,  0.0021233500000000 ]  - [  -0.0001957500000000, -0.0001515500000000,  0.0016979200000000 ]  - [  -0.0010358600000000, -0.0017214900000000,  0.0017233700000000 ]  - [  -0.0006286100000000,  0.0003629300000000,  0.0021313600000000 ]  - [  -0.0005802900000000,  0.0003304700000000,  0.0019901500000000 ]  - [  -0.0005763300000000,  0.0003373100000000,  0.0019901500000000 ]  - [  -0.0006487700000000,  0.0003745700000000,  0.0021157400000000 ]  - [   0.0002756400000000, -0.0015358900000000,  0.0058253200000000 ]  - [  -0.0000511900000000,  0.0000295500000000,  0.0046222600000000 ]  - [   0.0000102800000000, -0.0000059400000000,  0.0045989100000000 ]  - [   0.0014679400000000,  0.0005292300000000,  0.0058253200000000 ]  - [   0.0000449900000000,  0.0000090900000000,  0.0045354500000000 ]  - [   0.0000024500000000, -0.0000014100000000,  0.0046312500000000 ]  - [   0.0000078700000000, -0.0000045500000000,  0.0046508300000000 ]  - [   0.0000146200000000, -0.0000435000000000,  0.0045354500000000 ]  - [  -0.0040955500000000,  0.0023645700000000, -0.0020546700000000 ]  - [  -0.0000224800000000, -0.0000265100000000,  0.0037516200000000 ]  - [   0.0000117200000000,  0.0000327200000000,  0.0037516200000000 ]  - [   0.0002853500000000, -0.0001647400000000,  0.0040330500000000 ]  - [  -0.0001433100000000,  0.0000827400000000,  0.0035814800000000 ]  - [  -0.0000632600000000,  0.0000004600000000,  0.0037881600000000 ]  - [  -0.0000320300000000,  0.0000545600000000,  0.0037881600000000 ]  - [   0.0000409500000000, -0.0000236400000000,  0.0037805300000000 ]  - [   0.0006680200000000, -0.0003856800000000, -0.0017004800000000 ]  - [  -0.0005443100000000, -0.0012851800000000, -0.0021222600000000 ]  - [   0.0008408400000000,  0.0011139800000000, -0.0021222600000000 ]  - [   0.0004703300000000, -0.0002715400000000, -0.0018938900000000 ]  - [   0.0005271800000000, -0.0002226700000000, -0.0024908400000000 ]  - [   0.0004454200000000,  0.0002649100000000, -0.0018987800000000 ]  - [   0.0004228200000000,  0.0002348600000000, -0.0018994300000000 ]  - [   0.0004703500000000,  0.0002538100000000, -0.0018611000000000 ]  - [   0.0004564300000000, -0.0003452100000000, -0.0024908400000000 ]  - [   0.0000080200000000, -0.0004836100000000, -0.0018994300000000 ]  - [  -0.0000067100000000, -0.0005182000000000, -0.0018987800000000 ]  - [   0.0000153700000000, -0.0005342400000000, -0.0018611000000000 ]  - [   0.0020925300000000,  0.0013645600000000, -0.0063588400000000 ]  - [   0.0000626200000000,  0.0005291200000000, -0.0017352400000000 ]  - [   0.0000169600000000,  0.0005638000000000, -0.0018304800000000 ]  - [  -0.0000562200000000,  0.0005618600000000, -0.0018043200000000 ]  - [  -0.0001354800000000, -0.0024944700000000, -0.0063588400000000 ]  - [  -0.0004797800000000, -0.0002965900000000, -0.0018304800000000 ]  - [  -0.0004269200000000, -0.0003187900000000, -0.0017352400000000 ]  - [  -0.0005147000000000, -0.0002322400000000, -0.0018043200000000 ]  - [  -0.0004975100000000,  0.0002872400000000, -0.0019035200000000 ]  - [  -0.0004138400000000,  0.0002681800000000, -0.0018879900000000 ]  - [  -0.0004391700000000,  0.0002243100000000, -0.0018879900000000 ]  - [  -0.0004496100000000,  0.0002595800000000, -0.0018980500000000 ]  - [   0.0122497100000000, -0.0070723800000000,  0.0398569300000000 ]  - [  -0.0019574500000000,  0.0010107400000000, -0.0029462900000000 ]  - [  -0.0018540500000000,  0.0011898300000000, -0.0029462900000000 ]  - [  -0.0017714700000000,  0.0010227600000000, -0.0026903300000000 ]  - [  -0.0018696900000000, -0.0010611300000000, -0.0030449100000000 ]  - [  -0.0018793700000000, -0.0010959700000000, -0.0030441000000000 ]  - [  -0.0018491200000000, -0.0010909800000000, -0.0029781500000000 ]  - [  -0.0018370200000000, -0.0010784300000000, -0.0030034100000000 ]  - [  -0.0000158800000000,  0.0021497600000000, -0.0030449100000000 ]  - [   0.0000202500000000,  0.0021468800000000, -0.0029781500000000 ]  - [   0.0000094500000000,  0.0021755700000000, -0.0030441000000000 ]  - [   0.0000154300000000,  0.0021301200000000, -0.0030034100000000 ]  - [  -0.0005972200000000, -0.0019306000000000, -0.0022066700000000 ]  - [  -0.0000539500000000, -0.0021398100000000, -0.0030055400000000 ]  - [   0.0001359200000000, -0.0025562500000000, -0.0020160100000000 ]  - [   0.0001994700000000, -0.0021502100000000, -0.0030097400000000 ]  - [   0.0013733400000000,  0.0014825100000000, -0.0022066700000000 ]  - [   0.0022817400000000,  0.0011604200000000, -0.0020160100000000 ]  - [   0.0018261600000000,  0.0011166200000000, -0.0030055400000000 ]  - [   0.0019618700000000,  0.0009023600000000, -0.0030097400000000 ]  - [   0.0018824400000000, -0.0010868300000000, -0.0029228800000000 ]  - [   0.0018666300000000, -0.0010768100000000, -0.0029814100000000 ]  - [   0.0018658600000000, -0.0010781400000000, -0.0029814100000000 ]  - [   0.0018776200000000, -0.0010840500000000, -0.0029816800000000 ]