# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dcace1c1-b492-4ba7-8096-8f27953effc0/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 CsK2Ho(PO4)2 / P-3m1 (164) / materials id 573324](https://mdr.nims.go.jp/datasets/fc95fd19-2e28-45a9-8ffc-83b93c2038cc)

## 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: "P-3m1"  number: 164  Hall_symbol: "-P 3 2\""supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.655515890000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.827757950000000,     4.897820430000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.912859440000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452  - symbol: K  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.240745820000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.759254180000000 ]    mass: 39.098300  - symbol: Ho # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320  - symbol: P  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.232011300000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.767988700000000 ]    mass: 30.973762  - symbol: O  # 7    coordinates: [  0.631340150000000,  0.815670080000000,  0.161748740000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.576119540000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.423880460000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.184329920000000,  0.368659850000000,  0.161748740000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.815670080000000,  0.184329920000000,  0.838251260000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.368659850000000,  0.184329920000000,  0.838251260000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.815670080000000,  0.631340150000000,  0.838251260000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.184329920000000,  0.815670080000000,  0.161748740000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.176818528928225,     0.102086225501757,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.204172450642499,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.126376565587016 ] # c*unit_cell:  lattice:  - [     5.655515890000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.827757950000000,     4.897820430000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.912859440000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.240745820000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.759254180000000 ]    mass: 39.098300    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.232011300000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.767988700000000 ]    mass: 30.973762    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.631340150000000,  0.815670080000000,  0.161748740000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.576119540000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.423880460000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.184329920000000,  0.368659850000000,  0.161748740000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.815670080000000,  0.184329920000000,  0.838251260000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.368659850000000,  0.184329920000000,  0.838251260000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.815670080000000,  0.631340150000000,  0.838251260000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.184329920000000,  0.815670080000000,  0.161748740000000 ]    mass: 15.999400    reduced_to: 14supercell:  lattice:  - [    11.311031780000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.655515900000000,     9.795640860000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.825718880000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: K  # 9    coordinates: [  0.333333335000000,  0.166666665000000,  0.120372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.833333335000000,  0.166666665000000,  0.120372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.333333335000000,  0.666666665000000,  0.120372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 12    coordinates: [  0.833333335000000,  0.666666665000000,  0.120372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 13    coordinates: [  0.333333335000000,  0.166666665000000,  0.620372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 14    coordinates: [  0.833333335000000,  0.166666665000000,  0.620372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 15    coordinates: [  0.333333335000000,  0.666666665000000,  0.620372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 16    coordinates: [  0.833333335000000,  0.666666665000000,  0.620372910000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 17    coordinates: [  0.166666665000000,  0.333333335000000,  0.379627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 18    coordinates: [  0.666666665000000,  0.333333335000000,  0.379627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 19    coordinates: [  0.166666665000000,  0.833333335000000,  0.379627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 20    coordinates: [  0.666666665000000,  0.833333335000000,  0.379627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 21    coordinates: [  0.166666665000000,  0.333333335000000,  0.879627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 22    coordinates: [  0.666666665000000,  0.333333335000000,  0.879627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 23    coordinates: [  0.166666665000000,  0.833333335000000,  0.879627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 24    coordinates: [  0.666666665000000,  0.833333335000000,  0.879627090000000 ]    mass: 39.098300    reduced_to: 17  - symbol: Ho # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 27    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 28    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 30    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: Ho # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 25  - symbol: P  # 33    coordinates: [  0.166666665000000,  0.333333335000000,  0.116005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 34    coordinates: [  0.666666665000000,  0.333333335000000,  0.116005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 35    coordinates: [  0.166666665000000,  0.833333335000000,  0.116005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 36    coordinates: [  0.666666665000000,  0.833333335000000,  0.116005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 37    coordinates: [  0.166666665000000,  0.333333335000000,  0.616005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 38    coordinates: [  0.666666665000000,  0.333333335000000,  0.616005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 39    coordinates: [  0.166666665000000,  0.833333335000000,  0.616005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 40    coordinates: [  0.666666665000000,  0.833333335000000,  0.616005650000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 41    coordinates: [  0.333333335000000,  0.166666665000000,  0.383994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 42    coordinates: [  0.833333335000000,  0.166666665000000,  0.383994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 43    coordinates: [  0.333333335000000,  0.666666665000000,  0.383994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 44    coordinates: [  0.833333335000000,  0.666666665000000,  0.383994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 45    coordinates: [  0.333333335000000,  0.166666665000000,  0.883994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 46    coordinates: [  0.833333335000000,  0.166666665000000,  0.883994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 47    coordinates: [  0.333333335000000,  0.666666665000000,  0.883994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 48    coordinates: [  0.833333335000000,  0.666666665000000,  0.883994350000000 ]    mass: 30.973762    reduced_to: 41  - symbol: O  # 49    coordinates: [  0.315670075000000,  0.407835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.815670075000000,  0.407835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.315670075000000,  0.907835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.815670075000000,  0.907835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.315670075000000,  0.407835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 54    coordinates: [  0.815670075000000,  0.407835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 55    coordinates: [  0.315670075000000,  0.907835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 56    coordinates: [  0.815670075000000,  0.907835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 57    coordinates: [  0.333333335000000,  0.166666665000000,  0.288059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.833333335000000,  0.166666665000000,  0.288059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.333333335000000,  0.666666665000000,  0.288059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.833333335000000,  0.666666665000000,  0.288059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.333333335000000,  0.166666665000000,  0.788059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 62    coordinates: [  0.833333335000000,  0.166666665000000,  0.788059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 63    coordinates: [  0.333333335000000,  0.666666665000000,  0.788059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 64    coordinates: [  0.833333335000000,  0.666666665000000,  0.788059770000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 65    coordinates: [  0.166666665000000,  0.333333335000000,  0.211940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.666666665000000,  0.333333335000000,  0.211940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.166666665000000,  0.833333335000000,  0.211940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.666666665000000,  0.833333335000000,  0.211940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.166666665000000,  0.333333335000000,  0.711940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 70    coordinates: [  0.666666665000000,  0.333333335000000,  0.711940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 71    coordinates: [  0.166666665000000,  0.833333335000000,  0.711940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 72    coordinates: [  0.666666665000000,  0.833333335000000,  0.711940230000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 73    coordinates: [  0.092164960000000,  0.184329925000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.592164960000000,  0.184329925000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.092164960000000,  0.684329925000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.592164960000000,  0.684329925000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.092164960000000,  0.184329925000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.592164960000000,  0.184329925000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.092164960000000,  0.684329925000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.592164960000000,  0.684329925000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.407835040000000,  0.092164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.907835040000000,  0.092164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 83    coordinates: [  0.407835040000000,  0.592164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 84    coordinates: [  0.907835040000000,  0.592164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 85    coordinates: [  0.407835040000000,  0.092164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 86    coordinates: [  0.907835040000000,  0.092164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 87    coordinates: [  0.407835040000000,  0.592164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 88    coordinates: [  0.907835040000000,  0.592164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 89    coordinates: [  0.184329925000000,  0.092164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 90    coordinates: [  0.684329925000000,  0.092164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 91    coordinates: [  0.184329925000000,  0.592164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 92    coordinates: [  0.684329925000000,  0.592164960000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 93    coordinates: [  0.184329925000000,  0.092164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 94    coordinates: [  0.684329925000000,  0.092164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 95    coordinates: [  0.184329925000000,  0.592164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 96    coordinates: [  0.684329925000000,  0.592164960000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 97    coordinates: [  0.407835040000000,  0.315670075000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.907835040000000,  0.315670075000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 99    coordinates: [  0.407835040000000,  0.815670075000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 100    coordinates: [  0.907835040000000,  0.815670075000000,  0.419125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 101    coordinates: [  0.407835040000000,  0.315670075000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 102    coordinates: [  0.907835040000000,  0.315670075000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 103    coordinates: [  0.407835040000000,  0.815670075000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 104    coordinates: [  0.907835040000000,  0.815670075000000,  0.919125630000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 105    coordinates: [  0.092164960000000,  0.407835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 106    coordinates: [  0.592164960000000,  0.407835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 107    coordinates: [  0.092164960000000,  0.907835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 108    coordinates: [  0.592164960000000,  0.907835040000000,  0.080874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 109    coordinates: [  0.092164960000000,  0.407835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 110    coordinates: [  0.592164960000000,  0.407835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 111    coordinates: [  0.092164960000000,  0.907835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 112    coordinates: [  0.592164960000000,  0.907835040000000,  0.580874370000000 ]    mass: 15.999400    reduced_to: 105born_effective_charge:- # 1 (Cs)  - [  1.348403960000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.348403960000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.418921290000000 ]- # 2 (K)  - [  1.227524010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.227524010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.256396910000000 ]- # 3 (K)  - [  1.227524010000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.227524010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.256396910000000 ]- # 4 (Ho)  - [  4.324824980000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.324824980000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.960401680000000 ]- # 5 (P)  - [  3.697469410000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.697469410000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.228528140000000 ]- # 6 (P)  - [  3.697469410000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.697469410000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.228528140000001 ]- # 7 (O)  - [ -2.587426920000000, -0.766089710000000,  0.779833000000000 ]  - [ -0.766089710000000, -1.702822720000000,  0.450236790000000 ]  - [  0.595082650000000,  0.343571130000000, -1.632140500000000 ]- # 8 (O)  - [ -1.326233440000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.326233440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.278165010000000 ]- # 9 (O)  - [ -1.326233440000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.326233440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.278165010000000 ]- # 10 (O)  - [ -1.260520619562146, -0.000000001453188, -0.000000003009934 ]  - [  0.000000001958777, -3.029729020437854, -0.900473583621155 ]  - [  0.000000002249512, -0.687142257318726, -1.632140500000000 ]- # 11 (O)  - [ -2.587426920437853,  0.766089709044417, -0.779832996990066 ]  - [  0.766089710449994, -1.702822719562147,  0.450236793621155 ]  - [ -0.595082652249512,  0.343571127318726, -1.632140500000000 ]- # 12 (O)  - [ -2.587426920000000, -0.766089710000000,  0.779833000000000 ]  - [ -0.766089710000000, -1.702822720000000,  0.450236790000000 ]  - [  0.595082650000000,  0.343571130000000, -1.632140500000000 ]- # 13 (O)  - [ -1.260520619562146, -0.000000001453188, -0.000000003009934 ]  - [  0.000000001958777, -3.029729020437854, -0.900473583621155 ]  - [  0.000000002249512, -0.687142257318726, -1.632140500000000 ]- # 14 (O)  - [ -2.587426920437853,  0.766089709044417, -0.779832996990066 ]  - [  0.766089710449994, -1.702822719562147,  0.450236793621155 ]  - [ -0.595082652249512,  0.343571127318726, -1.632140500000000 ]dielectric_constant:  - [  2.892906070000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.892906070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.811641700000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0172091000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0021845500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000845400000000, -0.0012124800000000,  0.0002944100000000 ]  - [   0.0000845400000000,  0.0012124800000000, -0.0002944100000000 ]  - [  -0.0000868100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001130900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000171200000000, -0.0000556900000000, -0.0000298600000000 ]  - [   0.0000171200000000,  0.0000556900000000,  0.0000298600000000 ]  - [   0.0019029500000000,  0.0019079600000000, -0.0025142200000000 ]  - [   0.0018955500000000, -0.0018894500000000,  0.0021213700000000 ]  - [   0.0008007000000000, -0.0000021500000000, -0.0001845900000000 ]  - [  -0.0013894500000000,  0.0000067900000000, -0.0001791200000000 ]  - [   0.0000462000000000,  0.0000412600000000,  0.0001055000000000 ]  - [   0.0000463000000000, -0.0000406800000000, -0.0004742000000000 ]  - [   0.0000546700000000, -0.0000002900000000, -0.0001846400000000 ]  - [  -0.0000251500000000, -0.0000001100000000, -0.0001854900000000 ]  - [  -0.0013894500000000, -0.0000067900000000,  0.0001791200000000 ]  - [   0.0008007000000000,  0.0000021500000000,  0.0001845900000000 ]  - [   0.0019029500000000, -0.0019079600000000,  0.0025142200000000 ]  - [   0.0018955500000000,  0.0018894500000000, -0.0021213700000000 ]  - [  -0.0000251500000000,  0.0000001100000000,  0.0001854900000000 ]  - [   0.0000546700000000,  0.0000002900000000,  0.0001846400000000 ]  - [   0.0000462000000000, -0.0000412600000000, -0.0001055000000000 ]  - [   0.0000463000000000,  0.0000406800000000,  0.0004742000000000 ]  - [  -0.0042582500000000,  0.0000051700000000,  0.0000126000000000 ]  - [   0.0022140600000000,  0.0000036300000000, -0.0000027700000000 ]  - [   0.0000099500000000, -0.0012797800000000, -0.0005304700000000 ]  - [   0.0000074200000000,  0.0012746200000000,  0.0005274800000000 ]  - [  -0.0042582500000000, -0.0000051700000000, -0.0000126000000000 ]  - [   0.0022140600000000, -0.0000036300000000,  0.0000027700000000 ]  - [   0.0000074200000000, -0.0012746200000000, -0.0005274800000000 ]  - [   0.0000099500000000,  0.0012797800000000,  0.0005304700000000 ]  - [  -0.0008794700000000, -0.0000162100000000,  0.0001214600000000 ]  - [   0.0004799900000000,  0.0000029500000000,  0.0001062500000000 ]  - [   0.0036989700000000, -0.0026512000000000, -0.0068172800000000 ]  - [   0.0036917600000000,  0.0026293600000000,  0.0069741000000000 ]  - [  -0.0004242400000000, -0.0000017000000000,  0.0001082700000000 ]  - [   0.0004270700000000,  0.0000017400000000,  0.0001091800000000 ]  - [   0.0000825700000000, -0.0002923100000000,  0.0003636300000000 ]  - [   0.0000880300000000,  0.0002930400000000, -0.0001470700000000 ]  - [   0.0036989700000000,  0.0026512000000000,  0.0068172800000000 ]  - [   0.0036917600000000, -0.0026293600000000, -0.0069741000000000 ]  - [   0.0004799900000000, -0.0000029500000000, -0.0001062500000000 ]  - [  -0.0008794700000000,  0.0000162100000000, -0.0001214600000000 ]  - [   0.0000825700000000,  0.0002923100000000, -0.0003636300000000 ]  - [   0.0000880300000000, -0.0002930400000000,  0.0001470700000000 ]  - [   0.0004270700000000, -0.0000017400000000, -0.0001091800000000 ]  - [  -0.0004242400000000,  0.0000017000000000, -0.0001082700000000 ]  - [   0.0000502700000000, -0.0003065600000000,  0.0000207100000000 ]  - [  -0.0003040400000000,  0.0001696200000000, -0.0000403600000000 ]  - [  -0.0023476600000000, -0.0007234000000000,  0.0018148400000000 ]  - [   0.0015740500000000,  0.0001511000000000, -0.0016625400000000 ]  - [   0.0000851400000000, -0.0001371000000000, -0.0001552000000000 ]  - [  -0.0004079800000000, -0.0000815500000000,  0.0001914100000000 ]  - [  -0.0003596500000000, -0.0000363100000000, -0.0000991200000000 ]  - [   0.0000604100000000, -0.0002258600000000,  0.0002027800000000 ]  - [  -0.0009739300000000, -0.0013285400000000, -0.0016834300000000 ]  - [  -0.0010463800000000,  0.0013577800000000,  0.0020201100000000 ]  - [  -0.0004671900000000,  0.0000018100000000,  0.0001594700000000 ]  - [   0.0013174300000000, -0.0000082300000000,  0.0001638400000000 ]  - [   0.0000061300000000, -0.0000470600000000,  0.0001886100000000 ]  - [   0.0000050400000000,  0.0000472300000000,  0.0001307600000000 ]  - [  -0.0000576100000000,  0.0000003700000000,  0.0001608400000000 ]  - [   0.0000884800000000, -0.0000006900000000,  0.0001600600000000 ]  - [   0.0013174300000000,  0.0000082300000000, -0.0001638400000000 ]  - [  -0.0004671900000000, -0.0000018100000000, -0.0001594700000000 ]  - [  -0.0009739300000000,  0.0013285400000000,  0.0016834300000000 ]  - [  -0.0010463800000000, -0.0013577800000000, -0.0020201100000000 ]  - [   0.0000884800000000,  0.0000006900000000, -0.0001600600000000 ]  - [  -0.0000576100000000, -0.0000003700000000, -0.0001608400000000 ]  - [   0.0000061300000000,  0.0000470600000000, -0.0001886100000000 ]  - [   0.0000050400000000, -0.0000472300000000, -0.0001307600000000 ]  - [   0.0013134000000000,  0.0002159300000000,  0.0000209300000000 ]  - [  -0.0006020600000000,  0.0002111400000000,  0.0000261900000000 ]  - [  -0.0002571600000000,  0.0024963000000000,  0.0018175700000000 ]  - [  -0.0002588900000000, -0.0020618500000000, -0.0017560600000000 ]  - [   0.0004516500000000,  0.0002150000000000,  0.0000261000000000 ]  - [  -0.0002701200000000,  0.0002129200000000,  0.0000241100000000 ]  - [   0.0000113500000000,  0.0005501300000000,  0.0000828500000000 ]  - [   0.0000094300000000, -0.0001259900000000, -0.0000335600000000 ]  - [  -0.0023476600000000,  0.0007234000000000, -0.0018148400000000 ]  - [   0.0015740500000000, -0.0001511000000000,  0.0016625400000000 ]  - [  -0.0003040400000000, -0.0001696200000000,  0.0000403600000000 ]  - [   0.0000502700000000,  0.0003065600000000, -0.0000207100000000 ]  - [  -0.0003596500000000,  0.0000363100000000,  0.0000991200000000 ]  - [   0.0000604100000000,  0.0002258600000000, -0.0002027800000000 ]  - [  -0.0004079800000000,  0.0000815500000000, -0.0001914100000000 ]  - [   0.0000851400000000,  0.0001371000000000,  0.0001552000000000 ]  - [   0.0019841200000000,  0.0003871800000000, -0.0016919700000000 ]  - [  -0.0019816400000000, -0.0005109100000000,  0.0017580900000000 ]  - [   0.0000625400000000,  0.0003862900000000, -0.0000906800000000 ]  - [   0.0004047100000000, -0.0001009500000000, -0.0000201500000000 ]  - [   0.0004284300000000, -0.0000123700000000,  0.0001541600000000 ]  - [   0.0000016100000000,  0.0001756700000000, -0.0001439300000000 ]  - [  -0.0000425200000000,  0.0001334400000000,  0.0001446700000000 ]  - [   0.0004504700000000,  0.0000750300000000, -0.0002025000000000 ]  - [  -0.0002571600000000, -0.0024963000000000, -0.0018175700000000 ]  - [  -0.0002588900000000,  0.0020618500000000,  0.0017560600000000 ]  - [  -0.0006020600000000, -0.0002111400000000, -0.0000261900000000 ]  - [   0.0013134000000000, -0.0002159300000000, -0.0000209300000000 ]  - [   0.0000113500000000, -0.0005501300000000, -0.0000828500000000 ]  - [   0.0000094300000000,  0.0001259900000000,  0.0000335600000000 ]  - [  -0.0002701200000000, -0.0002129200000000, -0.0000241100000000 ]  - [   0.0004516500000000, -0.0002150000000000, -0.0000261000000000 ]  - [   0.0004047100000000,  0.0001009500000000,  0.0000201500000000 ]  - [   0.0000625400000000, -0.0003862900000000,  0.0000906800000000 ]  - [   0.0019841200000000, -0.0003871800000000,  0.0016919700000000 ]  - [  -0.0019816400000000,  0.0005109100000000, -0.0017580900000000 ]  - [   0.0004504700000000, -0.0000750300000000,  0.0002025000000000 ]  - [  -0.0000425200000000, -0.0001334400000000, -0.0001446700000000 ]  - [   0.0004284300000000,  0.0000123700000000, -0.0001541600000000 ]  - [   0.0000016100000000, -0.0001756700000000,  0.0001439300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0343257500000000 ]  - [   0.0000000000000000, -0.0003405300000000, -0.0011614400000000 ]  - [   0.0002949100000000,  0.0001702700000000, -0.0011614400000000 ]  - [  -0.0002949100000000,  0.0001702700000000, -0.0011614400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009908700000000 ]  - [   0.0000000000000000,  0.0000343800000000,  0.0006865900000000 ]  - [  -0.0000297800000000, -0.0000171900000000,  0.0006865900000000 ]  - [   0.0000297800000000, -0.0000171900000000,  0.0006865900000000 ]  - [  -0.0022505500000000, -0.0012993500000000, -0.0002796100000000 ]  - [   0.0022505500000000, -0.0012993500000000, -0.0002796100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005541600000000 ]  - [   0.0000000000000000,  0.0025987100000000, -0.0002796100000000 ]  - [   0.0001768600000000,  0.0001021100000000,  0.0005748000000000 ]  - [  -0.0001768600000000,  0.0001021100000000,  0.0005748000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002431700000000 ]  - [   0.0000000000000000, -0.0002042200000000,  0.0005748000000000 ]  - [   0.0000000000000000,  0.0026110200000000,  0.0000773200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001909800000000 ]  - [   0.0022612100000000, -0.0013055100000000,  0.0000773200000000 ]  - [  -0.0022612100000000, -0.0013055100000000,  0.0000773200000000 ]  - [   0.0000000000000000, -0.0002019600000000,  0.0009414800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006102200000000 ]  - [  -0.0001749000000000,  0.0001009800000000,  0.0009414800000000 ]  - [   0.0001749000000000,  0.0001009800000000,  0.0009414800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0102084500000000 ]  - [   0.0000000000000000, -0.0004971400000000,  0.0010074300000000 ]  - [   0.0004305300000000,  0.0002485700000000,  0.0010074300000000 ]  - [  -0.0004305300000000,  0.0002485700000000,  0.0010074300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0103292200000000 ]  - [   0.0000000000000000, -0.0004969700000000,  0.0010024400000000 ]  - [   0.0004303900000000,  0.0002484800000000,  0.0010024400000000 ]  - [  -0.0004303900000000,  0.0002484800000000,  0.0010024400000000 ]  - [   0.0000000000000000, -0.0070731200000000, -0.0012453400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017261500000000 ]  - [  -0.0061255100000000,  0.0035365600000000, -0.0012453400000000 ]  - [   0.0061255100000000,  0.0035365600000000, -0.0012453400000000 ]  - [   0.0000000000000000,  0.0011553900000000,  0.0019011100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015099300000000 ]  - [   0.0010006000000000, -0.0005776900000000,  0.0019011100000000 ]  - [  -0.0010006000000000, -0.0005776900000000,  0.0019011100000000 ]  - [   0.0061539300000000,  0.0035529700000000, -0.0014851300000000 ]  - [  -0.0061539300000000,  0.0035529700000000, -0.0014851300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019441700000000 ]  - [   0.0000000000000000, -0.0071059500000000, -0.0014851300000000 ]  - [  -0.0009950100000000, -0.0005744700000000,  0.0016868400000000 ]  - [   0.0009950100000000, -0.0005744700000000,  0.0016868400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012978600000000 ]  - [   0.0000000000000000,  0.0011489400000000,  0.0016868400000000 ]  - [   0.0008258500000000,  0.0013655500000000,  0.0000432800000000 ]  - [  -0.0004777200000000, -0.0002758100000000,  0.0005315500000000 ]  - [   0.0015955200000000,  0.0000324300000000,  0.0000432800000000 ]  - [  -0.0020336400000000, -0.0011741300000000,  0.0015918400000000 ]  - [  -0.0001032200000000, -0.0003083300000000, -0.0005525600000000 ]  - [   0.0000492200000000,  0.0000284200000000, -0.0005825100000000 ]  - [  -0.0003186400000000,  0.0000647700000000, -0.0005525600000000 ]  - [   0.0010350300000000,  0.0005975800000000, -0.0015858400000000 ]  - [  -0.0013190800000000, -0.0007615700000000,  0.0028283000000000 ]  - [   0.0013190800000000, -0.0007615700000000,  0.0028283000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015446200000000 ]  - [   0.0000000000000000,  0.0015231400000000,  0.0028283000000000 ]  - [   0.0001648700000000,  0.0000951900000000, -0.0010715700000000 ]  - [  -0.0001648700000000,  0.0000951900000000, -0.0010715700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007781600000000 ]  - [   0.0000000000000000, -0.0001903700000000, -0.0010715700000000 ]  - [   0.0000000000000000,  0.0015236000000000,  0.0024675800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012029300000000 ]  - [   0.0013194800000000, -0.0007618000000000,  0.0024675800000000 ]  - [  -0.0013194800000000, -0.0007618000000000,  0.0024675800000000 ]  - [   0.0000000000000000, -0.0001905900000000, -0.0014105600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011141700000000 ]  - [  -0.0001650600000000,  0.0000953000000000, -0.0014105600000000 ]  - [   0.0001650600000000,  0.0000953000000000, -0.0014105600000000 ]  - [   0.0000000000000000,  0.0023482500000000,  0.0015918400000000 ]  - [   0.0000000000000000,  0.0005516200000000,  0.0005315500000000 ]  - [   0.0007696700000000, -0.0013979800000000,  0.0000432800000000 ]  - [  -0.0007696700000000, -0.0013979800000000,  0.0000432800000000 ]  - [   0.0000000000000000, -0.0011951500000000, -0.0015858400000000 ]  - [   0.0000000000000000, -0.0000568300000000, -0.0005825100000000 ]  - [  -0.0002154100000000,  0.0002435600000000, -0.0005525600000000 ]  - [   0.0002154100000000,  0.0002435600000000, -0.0005525600000000 ]  - [  -0.0019437000000000,  0.0002287100000000,  0.0000126900000000 ]  - [   0.0016327200000000, -0.0009426500000000,  0.0016708300000000 ]  - [   0.0001330100000000, -0.0000767900000000,  0.0004967200000000 ]  - [  -0.0011699200000000,  0.0015689400000000,  0.0000126900000000 ]  - [  -0.0000299000000000,  0.0002660100000000, -0.0005908000000000 ]  - [  -0.0013728000000000,  0.0007925900000000, -0.0016160700000000 ]  - [  -0.0003960700000000,  0.0002286700000000, -0.0006198900000000 ]  - [  -0.0002453200000000, -0.0001071100000000, -0.0005908000000000 ]  - [  -0.0016327200000000, -0.0009426500000000,  0.0016708300000000 ]  - [   0.0019437000000000,  0.0002287100000000,  0.0000126900000000 ]  - [  -0.0001330100000000, -0.0000767900000000,  0.0004967200000000 ]  - [   0.0011699200000000,  0.0015689400000000,  0.0000126900000000 ]  - [   0.0013728000000000,  0.0007925900000000, -0.0016160700000000 ]  - [   0.0000299000000000,  0.0002660100000000, -0.0005908000000000 ]  - [   0.0003960700000000,  0.0002286700000000, -0.0006198900000000 ]  - [   0.0002453200000000, -0.0001071100000000, -0.0005908000000000 ]  - [  -0.0007737800000000, -0.0017976500000000,  0.0000126900000000 ]  - [   0.0007737800000000, -0.0017976500000000,  0.0000126900000000 ]  - [   0.0000000000000000,  0.0001535900000000,  0.0004967200000000 ]  - [   0.0000000000000000,  0.0018853000000000,  0.0016708300000000 ]  - [   0.0002154300000000, -0.0001589000000000, -0.0005908000000000 ]  - [  -0.0002154300000000, -0.0001589000000000, -0.0005908000000000 ]  - [   0.0000000000000000, -0.0004573400000000, -0.0006198900000000 ]  - [   0.0000000000000000, -0.0015851800000000, -0.0016160700000000 ]  - [  -0.0008258500000000,  0.0013655500000000,  0.0000432800000000 ]  - [   0.0004777200000000, -0.0002758100000000,  0.0005315500000000 ]  - [   0.0020336400000000, -0.0011741300000000,  0.0015918400000000 ]  - [  -0.0015955200000000,  0.0000324300000000,  0.0000432800000000 ]  - [   0.0001032200000000, -0.0003083300000000, -0.0005525600000000 ]  - [  -0.0000492200000000,  0.0000284200000000, -0.0005825100000000 ]  - [  -0.0010350300000000,  0.0005975800000000, -0.0015858400000000 ]  - [   0.0003186400000000,  0.0000647700000000, -0.0005525600000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0018814300000000,  0.0018925100000000, -0.0022448000000000 ]  - [   0.0018872500000000, -0.0019094500000000,  0.0022667500000000 ]  - [   0.0007857200000000,  0.0000020700000000,  0.0000010100000000 ]  - [  -0.0014066200000000, -0.0000086300000000, -0.0000024900000000 ]  - [   0.0000296400000000,  0.0000405600000000,  0.0001753400000000 ]  - [   0.0000295100000000, -0.0000413100000000, -0.0001757800000000 ]  - [   0.0000383800000000, -0.0000001500000000, -0.0000006200000000 ]  - [  -0.0000416900000000, -0.0000000600000000, -0.0000006600000000 ]  - [  -0.0295450400000000, -0.0000862700000000, -0.0000616000000000 ]  - [   0.0018348100000000, -0.0000000500000000, -0.0001913300000000 ]  - [   0.0001445100000000, -0.0009749900000000, -0.0002194400000000 ]  - [   0.0001458300000000,  0.0009762400000000, -0.0001615200000000 ]  - [  -0.0000643900000000,  0.0000002500000000, -0.0001912300000000 ]  - [   0.0000670600000000,  0.0000000300000000, -0.0001902700000000 ]  - [   0.0000000800000000, -0.0000393000000000, -0.0001941400000000 ]  - [  -0.0000002100000000,  0.0000387200000000, -0.0001872700000000 ]  - [   0.0000465200000000, -0.0001769500000000, -0.0004846000000000 ]  - [   0.0000426900000000,  0.0001768100000000,  0.0008687400000000 ]  - [  -0.0002621800000000,  0.0000016800000000,  0.0001900600000000 ]  - [   0.0002855000000000, -0.0000012400000000,  0.0001915500000000 ]  - [   0.0001435700000000, -0.0002841000000000,  0.0008970000000000 ]  - [   0.0001426900000000,  0.0002849900000000, -0.0005182500000000 ]  - [  -0.0003498500000000,  0.0000007000000000,  0.0001918100000000 ]  - [   0.0002048600000000, -0.0000002000000000,  0.0001898500000000 ]  - [   0.0043290700000000,  0.0052816800000000,  0.0051631300000000 ]  - [   0.0043484500000000, -0.0053283200000000, -0.0052060700000000 ]  - [   0.0023884100000000,  0.0000041000000000, -0.0000020900000000 ]  - [  -0.0048499000000000, -0.0000116400000000,  0.0000030200000000 ]  - [  -0.0000145800000000,  0.0000518600000000, -0.0003550200000000 ]  - [  -0.0000204800000000, -0.0000485700000000,  0.0003542600000000 ]  - [   0.0001083900000000,  0.0000018400000000,  0.0000012500000000 ]  - [  -0.0001039100000000, -0.0000032100000000, -0.0000014000000000 ]  - [   0.0104312900000000, -0.0107797600000000,  0.0011588900000000 ]  - [   0.0105735000000000,  0.0109174500000000, -0.0009789900000000 ]  - [  -0.0082877100000000,  0.0000299700000000,  0.0001123600000000 ]  - [   0.0023276700000000, -0.0000030900000000,  0.0001055600000000 ]  - [   0.0000001200000000, -0.0001058600000000,  0.0001448100000000 ]  - [  -0.0000017400000000,  0.0001051800000000,  0.0000657200000000 ]  - [  -0.0001838900000000,  0.0000006000000000,  0.0001055100000000 ]  - [   0.0001902700000000, -0.0000001900000000,  0.0001052500000000 ]  - [  -0.0007414200000000,  0.0000005600000000, -0.0001311800000000 ]  - [   0.0009236900000000,  0.0000002000000000, -0.0001017500000000 ]  - [  -0.0000073000000000, -0.0005388900000000, -0.0001673500000000 ]  - [  -0.0000091900000000,  0.0005382800000000, -0.0000400600000000 ]  - [  -0.0048602400000000,  0.0000035400000000, -0.0000953200000000 ]  - [   0.0021347900000000,  0.0000007100000000, -0.0001065800000000 ]  - [   0.0001080200000000, -0.0011702800000000, -0.0001202300000000 ]  - [   0.0001081600000000,  0.0011699900000000, -0.0000899100000000 ]  - [   0.0025783900000000,  0.0019467800000000, -0.0011138000000000 ]  - [  -0.0030892100000000, -0.0023600400000000,  0.0012508700000000 ]  - [   0.0036193100000000,  0.0012568600000000, -0.0007395100000000 ]  - [  -0.0018020500000000, -0.0010231800000000,  0.0004055200000000 ]  - [  -0.0001161900000000, -0.0000523100000000, -0.0000102800000000 ]  - [  -0.0002359400000000, -0.0001545200000000,  0.0000252400000000 ]  - [  -0.0000597600000000, -0.0000555800000000, -0.0000381200000000 ]  - [  -0.0002955900000000, -0.0001566000000000,  0.0000512300000000 ]  - [   0.0014627900000000, -0.0000000700000000,  0.0001458900000000 ]  - [  -0.0008562900000000,  0.0000015000000000,  0.0001501400000000 ]  - [   0.0000133300000000,  0.0005007200000000,  0.0002160600000000 ]  - [   0.0000127700000000, -0.0004991700000000,  0.0000886100000000 ]  - [   0.0008021800000000, -0.0000003000000000,  0.0001515400000000 ]  - [  -0.0003998300000000, -0.0000001100000000,  0.0001523200000000 ]  - [  -0.0000135800000000,  0.0002236900000000,  0.0002637800000000 ]  - [  -0.0000124200000000, -0.0002223100000000,  0.0000409800000000 ]  - [  -0.0021445500000000,  0.0022947000000000,  0.0013606200000000 ]  - [  -0.0021530700000000, -0.0023167600000000, -0.0016805800000000 ]  - [   0.0018436900000000, -0.0000086500000000, -0.0001534900000000 ]  - [  -0.0007852400000000,  0.0000011900000000, -0.0001524000000000 ]  - [   0.0000014700000000,  0.0000432500000000, -0.0002547900000000 ]  - [   0.0000029100000000, -0.0000429200000000, -0.0000513900000000 ]  - [   0.0000748300000000, -0.0000008800000000, -0.0001524700000000 ]  - [  -0.0000760700000000,  0.0000003100000000, -0.0001528100000000 ]  - [   0.0002013200000000,  0.0007537400000000, -0.0003943500000000 ]  - [   0.0004478800000000, -0.0003140900000000,  0.0003676900000000 ]  - [   0.0009931500000000,  0.0001985200000000,  0.0000062700000000 ]  - [  -0.0000301200000000,  0.0002067400000000,  0.0000098300000000 ]  - [   0.0000037300000000,  0.0002549500000000,  0.0000382400000000 ]  - [   0.0000052900000000,  0.0001568400000000, -0.0000185000000000 ]  - [   0.0000278900000000,  0.0002039600000000,  0.0000096100000000 ]  - [  -0.0000267000000000,  0.0002058800000000,  0.0000098400000000 ]  - [   0.0003700800000000, -0.0001130900000000,  0.0000156000000000 ]  - [  -0.0006676200000000,  0.0002653800000000,  0.0001289700000000 ]  - [  -0.0002117100000000,  0.0002556000000000, -0.0000265700000000 ]  - [  -0.0001289400000000, -0.0000578100000000, -0.0000004500000000 ]  - [   0.0017131700000000, -0.0001127200000000,  0.0021776700000000 ]  - [  -0.0016428900000000,  0.0003792100000000, -0.0009522000000000 ]  - [  -0.0001161500000000,  0.0005189500000000, -0.0002132200000000 ]  - [  -0.0001987100000000, -0.0002593800000000,  0.0001067800000000 ]  - [   0.0007090300000000,  0.0003109000000000, -0.0000174100000000 ]  - [  -0.0003138900000000, -0.0000571000000000, -0.0001489800000000 ]  - [   0.0002242100000000,  0.0002636300000000, -0.0000169800000000 ]  - [   0.0001410300000000, -0.0000485300000000,  0.0000096800000000 ]  - [   0.0020523300000000,  0.0003176500000000, -0.0021937700000000 ]  - [  -0.0012930300000000, -0.0001746200000000,  0.0009387200000000 ]  - [   0.0001506700000000,  0.0004641200000000, -0.0001220900000000 ]  - [   0.0002370400000000, -0.0003126900000000,  0.0001978700000000 ]  - [   0.0001717700000000, -0.0001997200000000, -0.0000013900000000 ]  - [  -0.0002336900000000, -0.0002043700000000, -0.0000103300000000 ]  - [   0.0000106600000000,  0.0001905400000000, -0.0001682800000000 ]  - [   0.0000092600000000, -0.0006000400000000,  0.0001474400000000 ]  - [   0.0015101200000000, -0.0002031800000000, -0.0000131700000000 ]  - [  -0.0006511500000000, -0.0002065300000000, -0.0000091100000000 ]  - [  -0.0001032100000000,  0.0010505400000000,  0.0007316400000000 ]  - [  -0.0001034800000000, -0.0014552400000000, -0.0007480500000000 ]  - [  -0.0027319300000000,  0.0021481400000000, -0.0012290600000000 ]  - [   0.0029896400000000, -0.0021219400000000,  0.0011260600000000 ]  - [   0.0039344600000000, -0.0015064100000000,  0.0007368000000000 ]  - [  -0.0014524500000000,  0.0008211300000000, -0.0003891200000000 ]  - [   0.0001134600000000, -0.0000496900000000, -0.0000095200000000 ]  - [   0.0002374200000000, -0.0001522600000000,  0.0000277200000000 ]  - [   0.0002916600000000, -0.0001514300000000,  0.0000553000000000 ]  - [   0.0000569900000000, -0.0000492000000000, -0.0000343000000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0023276200000000, -0.0013438500000000, -0.0001267800000000 ]  - [   0.0023276200000000, -0.0013438500000000, -0.0001267800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003944800000000 ]  - [   0.0000000000000000,  0.0026877000000000, -0.0001267800000000 ]  - [   0.0002882800000000,  0.0001664400000000,  0.0007381000000000 ]  - [  -0.0002882800000000,  0.0001664400000000,  0.0007381000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004069500000000 ]  - [   0.0000000000000000, -0.0003328800000000,  0.0007381000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0185855000000000 ]  - [   0.0000000000000000,  0.0000345700000000, -0.0008990200000000 ]  - [  -0.0000299400000000, -0.0000172800000000, -0.0008990200000000 ]  - [   0.0000299400000000, -0.0000172800000000, -0.0008990200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007898800000000 ]  - [   0.0000000000000000,  0.0000040300000000,  0.0002525200000000 ]  - [  -0.0000034900000000, -0.0000020200000000,  0.0002525200000000 ]  - [   0.0000034900000000, -0.0000020200000000,  0.0002525200000000 ]  - [  -0.0006798200000000,  0.0003925000000000,  0.0005764900000000 ]  - [   0.0006798200000000,  0.0003925000000000,  0.0005764900000000 ]  - [   0.0000000000000000, -0.0007849900000000,  0.0005764900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003175400000000 ]  - [   0.0007050500000000, -0.0004070600000000,  0.0006524200000000 ]  - [  -0.0007050500000000, -0.0004070600000000,  0.0006524200000000 ]  - [   0.0000000000000000,  0.0008141300000000,  0.0006524200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003092900000000 ]  - [   0.0051708000000000,  0.0029853700000000, -0.0008559300000000 ]  - [  -0.0051708000000000,  0.0029853700000000, -0.0008559300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007795200000000 ]  - [   0.0000000000000000, -0.0059707300000000, -0.0008559300000000 ]  - [  -0.0010311000000000, -0.0005953000000000,  0.0020405900000000 ]  - [   0.0010311000000000, -0.0005953000000000,  0.0020405900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010436300000000 ]  - [   0.0000000000000000,  0.0011906100000000,  0.0020405900000000 ]  - [   0.0015762600000000, -0.0009100600000000, -0.0066886200000000 ]  - [  -0.0015762600000000, -0.0009100600000000, -0.0066886200000000 ]  - [   0.0000000000000000,  0.0018201100000000, -0.0066886200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020893700000000 ]  - [  -0.0001964300000000,  0.0001134100000000,  0.0016461700000000 ]  - [   0.0001964300000000,  0.0001134100000000,  0.0016461700000000 ]  - [   0.0000000000000000, -0.0002268200000000,  0.0016461700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013145000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0113866300000000 ]  - [   0.0000000000000000,  0.0003614800000000, -0.0000129600000000 ]  - [  -0.0003130500000000, -0.0001807400000000, -0.0000129600000000 ]  - [   0.0003130500000000, -0.0001807400000000, -0.0000129600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079381000000000 ]  - [   0.0000000000000000, -0.0005035600000000,  0.0005787200000000 ]  - [   0.0004360900000000,  0.0002517800000000,  0.0005787200000000 ]  - [  -0.0004360900000000,  0.0002517800000000,  0.0005787200000000 ]  - [  -0.0012618200000000, -0.0000407900000000,  0.0027539600000000 ]  - [   0.0000977200000000,  0.0000564200000000,  0.0011403700000000 ]  - [  -0.0006662300000000, -0.0010723700000000,  0.0027539600000000 ]  - [  -0.0008233500000000, -0.0004753600000000,  0.0011875000000000 ]  - [   0.0002198900000000, -0.0000155900000000, -0.0008423200000000 ]  - [  -0.0000413300000000, -0.0000238600000000, -0.0005652400000000 ]  - [   0.0000964400000000,  0.0001982300000000, -0.0008423200000000 ]  - [   0.0001594700000000,  0.0000920700000000, -0.0007115300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0091320200000000 ]  - [   0.0000000000000000, -0.0001623000000000,  0.0002815500000000 ]  - [   0.0001405600000000,  0.0000811500000000,  0.0002815500000000 ]  - [  -0.0001405600000000,  0.0000811500000000,  0.0002815500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024451800000000 ]  - [   0.0000000000000000,  0.0001023200000000, -0.0003607900000000 ]  - [  -0.0000886100000000, -0.0000511600000000, -0.0003607900000000 ]  - [   0.0000886100000000, -0.0000511600000000, -0.0003607900000000 ]  - [   0.0013871400000000, -0.0008008600000000,  0.0026369700000000 ]  - [  -0.0013871400000000, -0.0008008600000000,  0.0026369700000000 ]  - [   0.0000000000000000,  0.0016017300000000,  0.0026369700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013289400000000 ]  - [  -0.0000817100000000,  0.0000471700000000, -0.0012547500000000 ]  - [   0.0000817100000000,  0.0000471700000000, -0.0012547500000000 ]  - [   0.0000000000000000, -0.0000943500000000, -0.0012547500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010558600000000 ]  - [  -0.0005955800000000,  0.0011131600000000,  0.0027539600000000 ]  - [   0.0005955800000000,  0.0011131600000000,  0.0027539600000000 ]  - [   0.0000000000000000, -0.0001128400000000,  0.0011403700000000 ]  - [   0.0000000000000000,  0.0009507200000000,  0.0011875000000000 ]  - [   0.0001234500000000, -0.0001826300000000, -0.0008423200000000 ]  - [  -0.0001234500000000, -0.0001826300000000, -0.0008423200000000 ]  - [   0.0000000000000000,  0.0000477300000000, -0.0005652400000000 ]  - [   0.0000000000000000, -0.0001841500000000, -0.0007115300000000 ]  - [  -0.0022737700000000,  0.0013127600000000, -0.0031968600000000 ]  - [   0.0000281800000000,  0.0000501500000000, -0.0002447300000000 ]  - [  -0.0000293400000000, -0.0000494800000000, -0.0002447300000000 ]  - [  -0.0004363800000000,  0.0002519400000000, -0.0002485100000000 ]  - [   0.0015119600000000, -0.0008729300000000, -0.0024986900000000 ]  - [  -0.0007091400000000,  0.0002526600000000, -0.0002775600000000 ]  - [  -0.0005733800000000,  0.0004878000000000, -0.0002775600000000 ]  - [   0.0000759900000000, -0.0000438700000000,  0.0000370700000000 ]  - [   0.0022737700000000,  0.0013127600000000, -0.0031968600000000 ]  - [  -0.0000281800000000,  0.0000501500000000, -0.0002447300000000 ]  - [   0.0004363800000000,  0.0002519400000000, -0.0002485100000000 ]  - [   0.0000293400000000, -0.0000494800000000, -0.0002447300000000 ]  - [  -0.0015119600000000, -0.0008729300000000, -0.0024986900000000 ]  - [   0.0007091400000000,  0.0002526600000000, -0.0002775600000000 ]  - [  -0.0000759900000000, -0.0000438700000000,  0.0000370700000000 ]  - [   0.0005733800000000,  0.0004878000000000, -0.0002775600000000 ]  - [   0.0000000000000000, -0.0026255200000000, -0.0031968600000000 ]  - [   0.0000000000000000, -0.0005038800000000, -0.0002485100000000 ]  - [  -0.0000575200000000, -0.0000006700000000, -0.0002447300000000 ]  - [   0.0000575200000000, -0.0000006700000000, -0.0002447300000000 ]  - [   0.0000000000000000,  0.0017458600000000, -0.0024986900000000 ]  - [   0.0000000000000000,  0.0000877400000000,  0.0000370700000000 ]  - [   0.0001357600000000, -0.0007404600000000, -0.0002775600000000 ]  - [  -0.0001357600000000, -0.0007404600000000, -0.0002775600000000 ]  - [  -0.0000977200000000,  0.0000564200000000,  0.0011403700000000 ]  - [   0.0012618200000000, -0.0000407900000000,  0.0027539600000000 ]  - [   0.0006662300000000, -0.0010723700000000,  0.0027539600000000 ]  - [   0.0008233500000000, -0.0004753600000000,  0.0011875000000000 ]  - [   0.0000413300000000, -0.0000238600000000, -0.0005652400000000 ]  - [  -0.0002198900000000, -0.0000155900000000, -0.0008423200000000 ]  - [  -0.0000964400000000,  0.0001982300000000, -0.0008423200000000 ]  - [  -0.0001594700000000,  0.0000920700000000, -0.0007115300000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0023137300000000,  0.0013358300000000,  0.0001165800000000 ]  - [  -0.0023137300000000,  0.0013358300000000,  0.0001165800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003915500000000 ]  - [   0.0000000000000000, -0.0026716700000000,  0.0001165800000000 ]  - [  -0.0002927300000000, -0.0001690100000000, -0.0007397000000000 ]  - [   0.0002927300000000, -0.0001690100000000, -0.0007397000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004057900000000 ]  - [   0.0000000000000000,  0.0003380100000000, -0.0007397000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0174109400000000 ]  - [   0.0000000000000000, -0.0000321400000000,  0.0005132700000000 ]  - [   0.0000278400000000,  0.0000160700000000,  0.0005132700000000 ]  - [  -0.0000278400000000,  0.0000160700000000,  0.0005132700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011727300000000 ]  - [   0.0000000000000000, -0.0000040800000000, -0.0006351400000000 ]  - [   0.0000035300000000,  0.0000020400000000, -0.0006351400000000 ]  - [  -0.0000035300000000,  0.0000020400000000, -0.0006351400000000 ]  - [   0.0006734200000000, -0.0003888000000000, -0.0001932100000000 ]  - [  -0.0006734200000000, -0.0003888000000000, -0.0001932100000000 ]  - [   0.0000000000000000,  0.0007776000000000, -0.0001932100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000660500000000 ]  - [  -0.0007099900000000,  0.0004099100000000, -0.0002666300000000 ]  - [   0.0007099900000000,  0.0004099100000000, -0.0002666300000000 ]  - [   0.0000000000000000, -0.0008198300000000, -0.0002666300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000745500000000 ]  - [  -0.0051810000000000, -0.0029912500000000,  0.0008955000000000 ]  - [   0.0051810000000000, -0.0029912500000000,  0.0008955000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007958000000000 ]  - [   0.0000000000000000,  0.0059825100000000,  0.0008955000000000 ]  - [   0.0010221900000000,  0.0005901600000000, -0.0020374600000000 ]  - [  -0.0010221900000000,  0.0005901600000000, -0.0020374600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010467200000000 ]  - [   0.0000000000000000, -0.0011803200000000, -0.0020374600000000 ]  - [  -0.0015144400000000,  0.0008743600000000,  0.0068721200000000 ]  - [   0.0015144400000000,  0.0008743600000000,  0.0068721200000000 ]  - [   0.0000000000000000, -0.0017487300000000,  0.0068721200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022883000000000 ]  - [   0.0001939100000000, -0.0001119500000000, -0.0014323900000000 ]  - [  -0.0001939100000000, -0.0001119500000000, -0.0014323900000000 ]  - [   0.0000000000000000,  0.0002239100000000, -0.0014323900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011004700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0114563000000000 ]  - [   0.0000000000000000, -0.0003591600000000, -0.0002046500000000 ]  - [   0.0003110400000000,  0.0001795800000000, -0.0002046500000000 ]  - [  -0.0003110400000000,  0.0001795800000000, -0.0002046500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082309900000000 ]  - [   0.0000000000000000,  0.0005054200000000, -0.0007816000000000 ]  - [  -0.0004377000000000, -0.0002527100000000, -0.0007816000000000 ]  - [   0.0004377000000000, -0.0002527100000000, -0.0007816000000000 ]  - [   0.0009068400000000, -0.0001368900000000, -0.0027248700000000 ]  - [  -0.0004278400000000, -0.0002470100000000, -0.0011085200000000 ]  - [   0.0003348700000000,  0.0008537900000000, -0.0027248700000000 ]  - [   0.0004807500000000,  0.0002775600000000, -0.0011558300000000 ]  - [  -0.0005593800000000, -0.0001814800000000,  0.0008678400000000 ]  - [  -0.0003019600000000, -0.0001743400000000,  0.0005934100000000 ]  - [  -0.0004368600000000, -0.0003936900000000,  0.0008678400000000 ]  - [  -0.0004993700000000, -0.0002883100000000,  0.0007382900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0080787600000000 ]  - [   0.0000000000000000,  0.0001603900000000,  0.0000762700000000 ]  - [  -0.0001389000000000, -0.0000801900000000,  0.0000762700000000 ]  - [   0.0001389000000000, -0.0000801900000000,  0.0000762700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028037700000000 ]  - [   0.0000000000000000, -0.0001028900000000,  0.0007067400000000 ]  - [   0.0000891100000000,  0.0000514500000000,  0.0007067400000000 ]  - [  -0.0000891100000000,  0.0000514500000000,  0.0007067400000000 ]  - [  -0.0013878000000000,  0.0008012500000000, -0.0029620200000000 ]  - [   0.0013878000000000,  0.0008012500000000, -0.0029620200000000 ]  - [   0.0000000000000000, -0.0016024900000000, -0.0029620200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016720600000000 ]  - [   0.0000826500000000, -0.0000477200000000,  0.0009015200000000 ]  - [  -0.0000826500000000, -0.0000477200000000,  0.0009015200000000 ]  - [   0.0000000000000000,  0.0000954300000000,  0.0009015200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007012800000000 ]  - [   0.0005719700000000, -0.0007169000000000, -0.0027248700000000 ]  - [  -0.0005719700000000, -0.0007169000000000, -0.0027248700000000 ]  - [   0.0000000000000000,  0.0004940300000000, -0.0011085200000000 ]  - [   0.0000000000000000, -0.0005551200000000, -0.0011558300000000 ]  - [  -0.0001225200000000,  0.0005751800000000,  0.0008678400000000 ]  - [   0.0001225200000000,  0.0005751800000000,  0.0008678400000000 ]  - [   0.0000000000000000,  0.0003486700000000,  0.0005934100000000 ]  - [   0.0000000000000000,  0.0005766200000000,  0.0007382900000000 ]  - [   0.0019205500000000, -0.0011088300000000,  0.0031502000000000 ]  - [  -0.0003681700000000,  0.0001461500000000,  0.0002179100000000 ]  - [  -0.0003106500000000,  0.0002457700000000,  0.0002179100000000 ]  - [   0.0000954600000000, -0.0000551100000000,  0.0002219100000000 ]  - [  -0.0018673800000000,  0.0010781300000000,  0.0024703400000000 ]  - [   0.0003673800000000, -0.0000561600000000,  0.0002433100000000 ]  - [   0.0002323300000000, -0.0002900800000000,  0.0002433100000000 ]  - [  -0.0004179100000000,  0.0002412800000000, -0.0000701900000000 ]  - [  -0.0019205500000000, -0.0011088300000000,  0.0031502000000000 ]  - [   0.0003681700000000,  0.0001461500000000,  0.0002179100000000 ]  - [  -0.0000954600000000, -0.0000551100000000,  0.0002219100000000 ]  - [   0.0003106500000000,  0.0002457700000000,  0.0002179100000000 ]  - [   0.0018673800000000,  0.0010781300000000,  0.0024703400000000 ]  - [  -0.0003673800000000, -0.0000561600000000,  0.0002433100000000 ]  - [   0.0004179100000000,  0.0002412800000000, -0.0000701900000000 ]  - [  -0.0002323300000000, -0.0002900800000000,  0.0002433100000000 ]  - [   0.0000000000000000,  0.0022176500000000,  0.0031502000000000 ]  - [   0.0000000000000000,  0.0001102300000000,  0.0002219100000000 ]  - [   0.0000575100000000, -0.0003919200000000,  0.0002179100000000 ]  - [  -0.0000575100000000, -0.0003919200000000,  0.0002179100000000 ]  - [   0.0000000000000000, -0.0021562700000000,  0.0024703400000000 ]  - [   0.0000000000000000, -0.0004825600000000, -0.0000701900000000 ]  - [  -0.0001350500000000,  0.0003462400000000,  0.0002433100000000 ]  - [   0.0001350500000000,  0.0003462400000000,  0.0002433100000000 ]  - [   0.0004278400000000, -0.0002470100000000, -0.0011085200000000 ]  - [  -0.0009068400000000, -0.0001368900000000, -0.0027248700000000 ]  - [  -0.0003348700000000,  0.0008537900000000, -0.0027248700000000 ]  - [  -0.0004807500000000,  0.0002775600000000, -0.0011558300000000 ]  - [   0.0003019600000000, -0.0001743400000000,  0.0005934100000000 ]  - [   0.0005593800000000, -0.0001814800000000,  0.0008678400000000 ]  - [   0.0004368600000000, -0.0003936900000000,  0.0008678400000000 ]  - [   0.0004993700000000, -0.0002883100000000,  0.0007382900000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0042858900000000,  0.0000043700000000, -0.0000167400000000 ]  - [   0.0022104600000000, -0.0000000800000000,  0.0000038500000000 ]  - [  -0.0000073600000000, -0.0012829400000000,  0.0004328900000000 ]  - [  -0.0000113100000000,  0.0012805900000000, -0.0004326000000000 ]  - [  -0.0042858900000000, -0.0000043700000000,  0.0000167400000000 ]  - [   0.0022104600000000,  0.0000000800000000, -0.0000038500000000 ]  - [  -0.0000113100000000, -0.0012805900000000,  0.0004326000000000 ]  - [  -0.0000073600000000,  0.0012829400000000, -0.0004328900000000 ]  - [   0.0043478800000000,  0.0053273800000000,  0.0050119300000000 ]  - [   0.0043321400000000, -0.0052854900000000, -0.0053417900000000 ]  - [   0.0023900300000000, -0.0000061400000000, -0.0001859600000000 ]  - [  -0.0048514700000000,  0.0000101600000000, -0.0001970800000000 ]  - [  -0.0000172200000000,  0.0000507500000000, -0.0012151300000000 ]  - [  -0.0000168200000000, -0.0000497100000000,  0.0008393300000000 ]  - [   0.0001085500000000, -0.0000007200000000, -0.0001878500000000 ]  - [  -0.0001041800000000, -0.0000002800000000, -0.0001852800000000 ]  - [  -0.0001041800000000,  0.0000002800000000,  0.0001852800000000 ]  - [   0.0001085500000000,  0.0000007200000000,  0.0001878500000000 ]  - [  -0.0000172200000000, -0.0000507500000000,  0.0012151300000000 ]  - [  -0.0000168200000000,  0.0000497100000000, -0.0008393300000000 ]  - [  -0.0048514700000000, -0.0000101600000000,  0.0001970800000000 ]  - [   0.0023900300000000,  0.0000061400000000,  0.0001859600000000 ]  - [   0.0043478800000000, -0.0053273800000000, -0.0050119300000000 ]  - [   0.0043321400000000,  0.0052854900000000,  0.0053417900000000 ]  - [  -0.1616273500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0182653700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002571300000000, -0.0104036500000000, -0.0051192000000000 ]  - [   0.0002571300000000,  0.0104036500000000,  0.0051192000000000 ]  - [  -0.0009478600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010156300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000002500000000, -0.0005881900000000,  0.0001101600000000 ]  - [   0.0000002500000000,  0.0005881900000000, -0.0001101600000000 ]  - [  -0.0018715600000000, -0.0000969300000000,  0.0000738300000000 ]  - [   0.0018984400000000,  0.0000124300000000,  0.0001152800000000 ]  - [   0.0325586700000000, -0.0199127500000000,  0.0150360100000000 ]  - [   0.0324654800000000,  0.0197869500000000, -0.0146630300000000 ]  - [  -0.0005707100000000, -0.0000016500000000,  0.0001136100000000 ]  - [   0.0005971200000000,  0.0000002100000000,  0.0001139900000000 ]  - [  -0.0000623700000000, -0.0002952800000000, -0.0012995800000000 ]  - [  -0.0000566900000000,  0.0002933900000000,  0.0015242400000000 ]  - [  -0.0000623700000000,  0.0002952800000000,  0.0012995800000000 ]  - [  -0.0000566900000000, -0.0002933900000000, -0.0015242400000000 ]  - [   0.0005971200000000, -0.0000002100000000, -0.0001139900000000 ]  - [  -0.0005707100000000,  0.0000016500000000, -0.0001136100000000 ]  - [   0.0325586700000000,  0.0199127500000000, -0.0150360100000000 ]  - [   0.0324654800000000, -0.0197869500000000,  0.0146630300000000 ]  - [   0.0018984400000000, -0.0000124300000000, -0.0001152800000000 ]  - [  -0.0018715600000000,  0.0000969300000000, -0.0000738300000000 ]  - [   0.0009821500000000, -0.0007424900000000, -0.0007404400000000 ]  - [  -0.0009677300000000,  0.0008791800000000,  0.0004517900000000 ]  - [  -0.0131209600000000, -0.0006052400000000,  0.0009181600000000 ]  - [   0.0197529600000000,  0.0058485100000000, -0.0097415400000000 ]  - [   0.0001017100000000, -0.0001408000000000,  0.0000283000000000 ]  - [  -0.0004479900000000, -0.0000602500000000,  0.0000142600000000 ]  - [  -0.0005860800000000, -0.0001519300000000,  0.0004080900000000 ]  - [   0.0003067900000000, -0.0000109400000000, -0.0003021200000000 ]  - [  -0.0000122400000000, -0.0004968100000000, -0.0013265100000000 ]  - [  -0.0000172100000000,  0.0004962800000000,  0.0017171200000000 ]  - [  -0.0008823300000000,  0.0000013600000000,  0.0001982900000000 ]  - [   0.0008452100000000, -0.0000013200000000,  0.0001978800000000 ]  - [  -0.0052692800000000, -0.0031568500000000,  0.0085381400000000 ]  - [  -0.0052876700000000,  0.0031560600000000, -0.0081553100000000 ]  - [  -0.0003932600000000,  0.0000025600000000,  0.0001982500000000 ]  - [   0.0001888600000000, -0.0000168400000000,  0.0001784600000000 ]  - [   0.0001888600000000,  0.0000168400000000, -0.0001784600000000 ]  - [  -0.0003932600000000, -0.0000025600000000, -0.0001982500000000 ]  - [  -0.0052692800000000,  0.0031568500000000, -0.0085381400000000 ]  - [  -0.0052876700000000, -0.0031560600000000,  0.0081553100000000 ]  - [   0.0008452100000000,  0.0000013200000000, -0.0001978800000000 ]  - [  -0.0008823300000000, -0.0000013600000000, -0.0001982900000000 ]  - [  -0.0000122400000000,  0.0004968100000000,  0.0013265100000000 ]  - [  -0.0000172100000000, -0.0004962800000000, -0.0017171200000000 ]  - [   0.0095542900000000,  0.0000940400000000, -0.0000375700000000 ]  - [  -0.0025001500000000,  0.0001901300000000,  0.0000203600000000 ]  - [  -0.0048830600000000,  0.0123338000000000,  0.0016908200000000 ]  - [  -0.0048821000000000, -0.0119183600000000, -0.0016509600000000 ]  - [   0.0003245100000000,  0.0001978800000000,  0.0000217700000000 ]  - [  -0.0003461500000000,  0.0001942700000000,  0.0000218700000000 ]  - [   0.0000103400000000,  0.0007999600000000,  0.0004029200000000 ]  - [   0.0000085600000000, -0.0004054800000000, -0.0003566800000000 ]  - [  -0.0005860800000000,  0.0001519300000000, -0.0004080900000000 ]  - [   0.0003067900000000,  0.0000109400000000,  0.0003021200000000 ]  - [  -0.0004479900000000,  0.0000602500000000, -0.0000142600000000 ]  - [   0.0001017100000000,  0.0001408000000000, -0.0000283000000000 ]  - [  -0.0131209600000000,  0.0006052400000000, -0.0009181600000000 ]  - [   0.0197529600000000, -0.0058485100000000,  0.0097415400000000 ]  - [  -0.0009677300000000, -0.0008791800000000, -0.0004517900000000 ]  - [   0.0009821500000000,  0.0007424900000000,  0.0007404400000000 ]  - [   0.0006506900000000,  0.0001891000000000, -0.0003460400000000 ]  - [  -0.0002427500000000,  0.0000498500000000,  0.0003604900000000 ]  - [  -0.0001020900000000,  0.0001423100000000, -0.0000320800000000 ]  - [   0.0004430800000000,  0.0000569700000000, -0.0000163700000000 ]  - [   0.0212262300000000,  0.0067836000000000, -0.0108176300000000 ]  - [  -0.0127747500000000, -0.0004253100000000,  0.0008952500000000 ]  - [  -0.0006251100000000,  0.0010878100000000,  0.0004029600000000 ]  - [   0.0012820800000000, -0.0005945700000000, -0.0007794800000000 ]  - [   0.0000103400000000, -0.0007999600000000, -0.0004029200000000 ]  - [   0.0000085600000000,  0.0004054800000000,  0.0003566800000000 ]  - [  -0.0003461500000000, -0.0001942700000000, -0.0000218700000000 ]  - [   0.0003245100000000, -0.0001978800000000, -0.0000217700000000 ]  - [  -0.0048830600000000, -0.0123338000000000, -0.0016908200000000 ]  - [  -0.0048821000000000,  0.0119183600000000,  0.0016509600000000 ]  - [  -0.0025001500000000, -0.0001901300000000, -0.0000203600000000 ]  - [   0.0095542900000000, -0.0000940400000000,  0.0000375700000000 ]  - [   0.0012820800000000,  0.0005945700000000,  0.0007794800000000 ]  - [  -0.0006251100000000, -0.0010878100000000, -0.0004029600000000 ]  - [   0.0212262300000000, -0.0067836000000000,  0.0108176300000000 ]  - [  -0.0127747500000000,  0.0004253100000000, -0.0008952500000000 ]  - [   0.0004430800000000, -0.0000569700000000,  0.0000163700000000 ]  - [  -0.0001020900000000, -0.0001423100000000,  0.0000320800000000 ]  - [   0.0006506900000000, -0.0001891000000000,  0.0003460400000000 ]  - [  -0.0002427500000000, -0.0000498500000000, -0.0003604900000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0102840400000000 ]  - [   0.0000000000000000,  0.0006116600000000,  0.0009847800000000 ]  - [  -0.0005297100000000, -0.0003058300000000,  0.0009847800000000 ]  - [   0.0005297100000000, -0.0003058300000000,  0.0009847800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0102081900000000 ]  - [   0.0000000000000000,  0.0006120400000000,  0.0009877000000000 ]  - [  -0.0005300400000000, -0.0003060200000000,  0.0009877000000000 ]  - [   0.0005300400000000, -0.0003060200000000,  0.0009877000000000 ]  - [   0.0051905200000000,  0.0029967500000000, -0.0010702500000000 ]  - [  -0.0051905200000000,  0.0029967500000000, -0.0010702500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009768100000000 ]  - [   0.0000000000000000, -0.0059935000000000, -0.0010702500000000 ]  - [  -0.0003517200000000, -0.0002030700000000,  0.0018585300000000 ]  - [   0.0003517200000000, -0.0002030700000000,  0.0018585300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008612900000000 ]  - [   0.0000000000000000,  0.0004061300000000,  0.0018585300000000 ]  - [   0.0000000000000000,  0.0004119600000000,  0.0022249000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012271500000000 ]  - [   0.0003567700000000, -0.0002059800000000,  0.0022249000000000 ]  - [  -0.0003567700000000, -0.0002059800000000,  0.0022249000000000 ]  - [   0.0000000000000000, -0.0059808600000000, -0.0006819300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006052800000000 ]  - [  -0.0051795700000000,  0.0029904300000000, -0.0006819300000000 ]  - [   0.0051795700000000,  0.0029904300000000, -0.0006819300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1595394800000000 ]  - [   0.0000000000000000,  0.0059128600000000, -0.0142865700000000 ]  - [  -0.0051206800000000, -0.0029564300000000, -0.0142865700000000 ]  - [   0.0051206800000000, -0.0029564300000000, -0.0142865700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0075667800000000 ]  - [   0.0000000000000000, -0.0001317200000000,  0.0052414400000000 ]  - [   0.0001140800000000,  0.0000658600000000,  0.0052414400000000 ]  - [  -0.0001140800000000,  0.0000658600000000,  0.0052414400000000 ]  - [   0.0000000000000000,  0.0298234400000000,  0.0071030400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024519700000000 ]  - [   0.0258278600000000, -0.0149117200000000,  0.0071030400000000 ]  - [  -0.0258278600000000, -0.0149117200000000,  0.0071030400000000 ]  - [   0.0000000000000000, -0.0010660700000000,  0.0047840000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040561000000000 ]  - [  -0.0009232400000000,  0.0005330400000000,  0.0047840000000000 ]  - [   0.0009232400000000,  0.0005330400000000,  0.0047840000000000 ]  - [   0.0009358900000000,  0.0005403400000000,  0.0045334000000000 ]  - [  -0.0009358900000000,  0.0005403400000000,  0.0045334000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038009800000000 ]  - [   0.0000000000000000, -0.0010806700000000,  0.0045334000000000 ]  - [  -0.0257792700000000, -0.0148836700000000,  0.0068960100000000 ]  - [   0.0257792700000000, -0.0148836700000000,  0.0068960100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026813700000000 ]  - [   0.0000000000000000,  0.0297673300000000,  0.0068960100000000 ]  - [  -0.0069776100000000, -0.0082642100000000,  0.0039046400000000 ]  - [  -0.0004476300000000, -0.0002584400000000,  0.0025977600000000 ]  - [  -0.0106458200000000, -0.0019106800000000,  0.0039046400000000 ]  - [  -0.0114272600000000, -0.0065975300000000,  0.0190303900000000 ]  - [   0.0008757100000000,  0.0006925100000000, -0.0022235600000000 ]  - [   0.0005635700000000,  0.0003253800000000, -0.0019376900000000 ]  - [   0.0010375900000000,  0.0004121400000000, -0.0022235600000000 ]  - [   0.0000069800000000,  0.0000040300000000, -0.0028262700000000 ]  - [  -0.0009470300000000, -0.0005467700000000, -0.0029710800000000 ]  - [   0.0009470300000000, -0.0005467700000000, -0.0029710800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023193700000000 ]  - [   0.0000000000000000,  0.0010935400000000, -0.0029710800000000 ]  - [   0.0045011400000000,  0.0025987300000000, -0.0038096700000000 ]  - [  -0.0045011400000000,  0.0025987300000000, -0.0038096700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014687100000000 ]  - [   0.0000000000000000, -0.0051974600000000, -0.0038096700000000 ]  - [   0.0000000000000000, -0.0052012800000000, -0.0041636600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010940000000000 ]  - [  -0.0045044400000000,  0.0026006400000000, -0.0041636600000000 ]  - [   0.0045044400000000,  0.0026006400000000, -0.0041636600000000 ]  - [   0.0000000000000000,  0.0010872200000000, -0.0033627900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027140000000000 ]  - [   0.0009415600000000, -0.0005436100000000, -0.0033627900000000 ]  - [  -0.0009415600000000, -0.0005436100000000, -0.0033627900000000 ]  - [   0.0000000000000000,  0.0131950600000000,  0.0190303900000000 ]  - [   0.0000000000000000,  0.0005168800000000,  0.0025977600000000 ]  - [  -0.0036682200000000,  0.0101748900000000,  0.0039046400000000 ]  - [   0.0036682200000000,  0.0101748900000000,  0.0039046400000000 ]  - [   0.0000000000000000, -0.0000080600000000, -0.0028262700000000 ]  - [   0.0000000000000000, -0.0006507500000000, -0.0019376900000000 ]  - [   0.0001618700000000, -0.0011046500000000, -0.0022235600000000 ]  - [  -0.0001618700000000, -0.0011046500000000, -0.0022235600000000 ]  - [  -0.0014059400000000,  0.0006239700000000, -0.0023014700000000 ]  - [  -0.0003650800000000,  0.0002107800000000, -0.0029075200000000 ]  - [  -0.0009292400000000,  0.0005365000000000, -0.0020140700000000 ]  - [  -0.0012433400000000,  0.0009055900000000, -0.0023014700000000 ]  - [   0.0103018400000000, -0.0017038700000000,  0.0038219400000000 ]  - [   0.0102798000000000, -0.0059350400000000,  0.0184485800000000 ]  - [   0.0000813100000000, -0.0000469400000000,  0.0025115500000000 ]  - [   0.0066265200000000, -0.0080697200000000,  0.0038219400000000 ]  - [   0.0003650800000000,  0.0002107800000000, -0.0029075200000000 ]  - [   0.0014059400000000,  0.0006239700000000, -0.0023014700000000 ]  - [   0.0009292400000000,  0.0005365000000000, -0.0020140700000000 ]  - [   0.0012433400000000,  0.0009055900000000, -0.0023014700000000 ]  - [  -0.0102798000000000, -0.0059350400000000,  0.0184485800000000 ]  - [  -0.0103018400000000, -0.0017038700000000,  0.0038219400000000 ]  - [  -0.0000813100000000, -0.0000469400000000,  0.0025115500000000 ]  - [  -0.0066265200000000, -0.0080697200000000,  0.0038219400000000 ]  - [  -0.0001626000000000, -0.0015295600000000, -0.0023014700000000 ]  - [   0.0001626000000000, -0.0015295600000000, -0.0023014700000000 ]  - [   0.0000000000000000, -0.0010729900000000, -0.0020140700000000 ]  - [   0.0000000000000000, -0.0004215600000000, -0.0029075200000000 ]  - [   0.0036753300000000,  0.0097735900000000,  0.0038219400000000 ]  - [  -0.0036753300000000,  0.0097735900000000,  0.0038219400000000 ]  - [   0.0000000000000000,  0.0000938800000000,  0.0025115500000000 ]  - [   0.0000000000000000,  0.0118700900000000,  0.0184485800000000 ]  - [   0.0069776100000000, -0.0082642100000000,  0.0039046400000000 ]  - [   0.0004476300000000, -0.0002584400000000,  0.0025977600000000 ]  - [   0.0114272600000000, -0.0065975300000000,  0.0190303900000000 ]  - [   0.0106458200000000, -0.0019106800000000,  0.0039046400000000 ]  - [  -0.0008757100000000,  0.0006925100000000, -0.0022235600000000 ]  - [  -0.0005635700000000,  0.0003253800000000, -0.0019376900000000 ]  - [  -0.0000069800000000,  0.0000040300000000, -0.0028262700000000 ]  - [  -0.0010375900000000,  0.0004121400000000, -0.0022235600000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0008968300000000,  0.0000035500000000, -0.0000061000000000 ]  - [   0.0004647300000000, -0.0000034400000000,  0.0000003500000000 ]  - [   0.0036675500000000, -0.0026252400000000, -0.0061242000000000 ]  - [   0.0036970500000000,  0.0026612900000000,  0.0061547900000000 ]  - [  -0.0004415500000000, -0.0000010300000000,  0.0000020300000000 ]  - [   0.0004124500000000, -0.0000003700000000,  0.0000010500000000 ]  - [   0.0000684900000000, -0.0002935900000000,  0.0010010900000000 ]  - [   0.0000684700000000,  0.0002949800000000, -0.0009959800000000 ]  - [   0.0105778000000000, -0.0109163300000000,  0.0013646600000000 ]  - [   0.0104260000000000,  0.0107822100000000, -0.0017291900000000 ]  - [  -0.0082892800000000, -0.0000152500000000, -0.0001868900000000 ]  - [   0.0023284600000000,  0.0000024200000000, -0.0001893900000000 ]  - [  -0.0000008100000000, -0.0001055400000000, -0.0003794700000000 ]  - [  -0.0000003000000000,  0.0001063400000000,  0.0000115100000000 ]  - [  -0.0001841400000000, -0.0000004600000000, -0.0001842400000000 ]  - [   0.0001905100000000, -0.0000000100000000, -0.0001837000000000 ]  - [  -0.0007427700000000,  0.0000000000000000,  0.0001972900000000 ]  - [   0.0009248900000000,  0.0000003200000000,  0.0001881500000000 ]  - [  -0.0000088100000000, -0.0005390800000000, -0.0001258300000000 ]  - [  -0.0000081800000000,  0.0005389800000000,  0.0004992800000000 ]  - [  -0.0048620000000000, -0.0000004600000000,  0.0001909900000000 ]  - [   0.0021368100000000,  0.0000032100000000,  0.0001860700000000 ]  - [   0.0001064800000000, -0.0011733900000000,  0.0006240600000000 ]  - [   0.0001090200000000,  0.0011692100000000, -0.0002507700000000 ]  - [  -0.0018685300000000,  0.0000025600000000, -0.0000053400000000 ]  - [   0.0018979200000000, -0.0000097600000000, -0.0000099100000000 ]  - [   0.0324853500000000, -0.0198048000000000,  0.0257591500000000 ]  - [   0.0325419200000000,  0.0198981800000000, -0.0258492800000000 ]  - [  -0.0005705700000000,  0.0000009400000000,  0.0000068200000000 ]  - [   0.0005975300000000, -0.0000030500000000,  0.0000055000000000 ]  - [  -0.0000591000000000, -0.0002924000000000, -0.0009203800000000 ]  - [  -0.0000600600000000,  0.0002931900000000,  0.0009374400000000 ]  - [  -0.5490526100000001, -0.0077427000000000,  0.0063438400000000 ]  - [   0.0164115800000000, -0.0000022300000000,  0.0001065800000000 ]  - [  -0.0007349600000000, -0.0099021200000000, -0.0018806200000000 ]  - [  -0.0007204700000000,  0.0098877300000000,  0.0020794600000000 ]  - [  -0.0008306200000000, -0.0000011600000000,  0.0001136100000000 ]  - [   0.0008294700000000,  0.0000004100000000,  0.0001128500000000 ]  - [  -0.0000043800000000, -0.0004810900000000,  0.0001005800000000 ]  - [  -0.0000020300000000,  0.0004817200000000,  0.0001248900000000 ]  - [  -0.0001186300000000, -0.0009282100000000,  0.0022253100000000 ]  - [  -0.0001137100000000,  0.0009227700000000, -0.0024165200000000 ]  - [  -0.0017221500000000,  0.0000018500000000, -0.0001078000000000 ]  - [   0.0021329000000000,  0.0000033000000000, -0.0001053100000000 ]  - [   0.0005403900000000, -0.0089040600000000, -0.0038299200000000 ]  - [   0.0005553300000000,  0.0088950300000000,  0.0036122900000000 ]  - [  -0.0148660900000000, -0.0000087500000000, -0.0001011700000000 ]  - [   0.0088651700000000, -0.0000025100000000, -0.0001030200000000 ]  - [   0.1961148700000000,  0.0815720000000000, -0.0611800700000000 ]  - [  -0.0130947400000000, -0.0029464000000000,  0.0032427200000000 ]  - [   0.0011487100000000,  0.0028704500000000, -0.0002452200000000 ]  - [  -0.0013335200000000, -0.0030648500000000,  0.0003629900000000 ]  - [   0.0003063500000000,  0.0000378800000000, -0.0001191100000000 ]  - [  -0.0006711000000000, -0.0002603700000000,  0.0001469700000000 ]  - [  -0.0001405700000000,  0.0000540400000000, -0.0000270600000000 ]  - [  -0.0002217400000000, -0.0002665000000000,  0.0000590300000000 ]  - [  -0.0000223000000000,  0.0008719600000000, -0.0023056000000000 ]  - [  -0.0000243500000000, -0.0008632900000000,  0.0025764500000000 ]  - [   0.0014830100000000,  0.0000004200000000,  0.0001499000000000 ]  - [  -0.0013931100000000, -0.0000022300000000,  0.0001470900000000 ]  - [   0.0000673600000000,  0.0016105500000000,  0.0022426900000000 ]  - [   0.0000658900000000, -0.0016095000000000, -0.0019525800000000 ]  - [   0.0028547500000000,  0.0000026000000000,  0.0001423400000000 ]  - [  -0.0019384300000000,  0.0000017700000000,  0.0001373400000000 ]  - [   0.0597426300000000,  0.0000429600000000, -0.0012871800000000 ]  - [  -0.0039173100000000, -0.0000010800000000, -0.0001452900000000 ]  - [   0.0000348200000000,  0.0022803400000000,  0.0009609100000000 ]  - [   0.0000312800000000, -0.0022796200000000, -0.0012453100000000 ]  - [   0.0004827900000000,  0.0000004500000000, -0.0001535600000000 ]  - [  -0.0004977100000000, -0.0000006900000000, -0.0001506900000000 ]  - [  -0.0000005300000000,  0.0002873500000000, -0.0001884100000000 ]  - [  -0.0000014800000000, -0.0002867200000000, -0.0001133300000000 ]  - [   0.0558865500000000,  0.0010163600000000,  0.0002747400000000 ]  - [  -0.0038154300000000,  0.0002138400000000,  0.0000258100000000 ]  - [  -0.0020167500000000,  0.0103524000000000,  0.0029032500000000 ]  - [  -0.0020144000000000, -0.0099128200000000, -0.0028437200000000 ]  - [   0.0002396400000000,  0.0002098600000000,  0.0000168500000000 ]  - [  -0.0002362100000000,  0.0002106600000000,  0.0000172800000000 ]  - [   0.0000078800000000,  0.0005954900000000,  0.0001057800000000 ]  - [   0.0000067400000000, -0.0001764600000000, -0.0000703100000000 ]  - [  -0.0009578900000000,  0.0006719600000000, -0.0008219300000000 ]  - [   0.0005714500000000, -0.0004378000000000,  0.0007107700000000 ]  - [   0.0008845900000000, -0.0003535200000000, -0.0002934100000000 ]  - [  -0.0014228600000000,  0.0006679400000000,  0.0004541400000000 ]  - [  -0.0021477000000000,  0.0024470100000000, -0.0002282300000000 ]  - [   0.0015191500000000, -0.0024013600000000, -0.0000774300000000 ]  - [   0.0067555300000000, -0.0059443100000000,  0.0074006500000000 ]  - [  -0.0080443500000000,  0.0039319400000000, -0.0048673400000000 ]  - [   0.0009423500000000,  0.0006548100000000, -0.0007560500000000 ]  - [  -0.0005908800000000, -0.0004554800000000,  0.0007747400000000 ]  - [   0.0012451900000000,  0.0005629900000000,  0.0002520600000000 ]  - [  -0.0010636300000000, -0.0004575900000000, -0.0004965400000000 ]  - [   0.0018985000000000,  0.0026150200000000,  0.0000327900000000 ]  - [  -0.0017929600000000, -0.0022366200000000,  0.0001971200000000 ]  - [   0.0071197100000000,  0.0061628900000000, -0.0074471100000000 ]  - [  -0.0076577900000000, -0.0037037000000000,  0.0048071800000000 ]  - [   0.0000398100000000,  0.0000102000000000, -0.0010305000000000 ]  - [   0.0000389300000000, -0.0004346700000000,  0.0009803500000000 ]  - [   0.0002047300000000, -0.0002113400000000, -0.0000199900000000 ]  - [  -0.0002682400000000, -0.0002138600000000, -0.0000210400000000 ]  - [  -0.0030932000000000,  0.0060838900000000,  0.0074638000000000 ]  - [  -0.0030894600000000, -0.0065184400000000, -0.0074943800000000 ]  - [   0.0020857300000000, -0.0002039800000000, -0.0000179300000000 ]  - [  -0.0012385000000000, -0.0002128800000000, -0.0000245400000000 ]  - [   0.1865252600000000, -0.0748732900000000,  0.0559110600000000 ]  - [  -0.0127414300000000,  0.0027163500000000, -0.0031819300000000 ]  - [  -0.0009543500000000,  0.0028538000000000, -0.0003149900000000 ]  - [   0.0015081200000000, -0.0030678900000000,  0.0002876100000000 ]  - [   0.0006655300000000, -0.0002468000000000,  0.0001509600000000 ]  - [  -0.0003101400000000,  0.0000488200000000, -0.0001141900000000 ]  - [   0.0001395400000000,  0.0000560600000000, -0.0000254600000000 ]  - [   0.0002179900000000, -0.0002641500000000,  0.0000604300000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0079849000000000, -0.0013847500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018581100000000 ]  - [  -0.0069151300000000,  0.0039924500000000, -0.0013847500000000 ]  - [   0.0069151300000000,  0.0039924500000000, -0.0013847500000000 ]  - [   0.0000000000000000,  0.0002924000000000,  0.0017734000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013837400000000 ]  - [   0.0002532200000000, -0.0001462000000000,  0.0017734000000000 ]  - [  -0.0002532200000000, -0.0001462000000000,  0.0017734000000000 ]  - [   0.0010615500000000, -0.0006128900000000, -0.0069617000000000 ]  - [  -0.0010615500000000, -0.0006128900000000, -0.0069617000000000 ]  - [   0.0000000000000000,  0.0012257800000000, -0.0069617000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023680000000000 ]  - [   0.0000400000000000, -0.0000230900000000,  0.0013587800000000 ]  - [  -0.0000400000000000, -0.0000230900000000,  0.0013587800000000 ]  - [   0.0000000000000000,  0.0000461900000000,  0.0013587800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010270300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0116147300000000 ]  - [   0.0000000000000000,  0.0000742100000000,  0.0002743300000000 ]  - [  -0.0000642700000000, -0.0000371100000000,  0.0002743300000000 ]  - [   0.0000642700000000, -0.0000371100000000,  0.0002743300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0082120300000000 ]  - [   0.0000000000000000,  0.0000183600000000,  0.0008623100000000 ]  - [  -0.0000159000000000, -0.0000091800000000,  0.0008623100000000 ]  - [   0.0000159000000000, -0.0000091800000000,  0.0008623100000000 ]  - [   0.0000000000000000,  0.0170949900000000,  0.0070100900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025509600000000 ]  - [   0.0148047000000000, -0.0085475000000000,  0.0070100900000000 ]  - [  -0.0148047000000000, -0.0085475000000000,  0.0070100900000000 ]  - [   0.0000000000000000, -0.0016307000000000,  0.0046553600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0039269200000000 ]  - [  -0.0014122300000000,  0.0008153500000000,  0.0046553600000000 ]  - [   0.0014122300000000,  0.0008153500000000,  0.0046553600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.6822262200000000 ]  - [   0.0000000000000000,  0.0022897300000000, -0.0071936200000000 ]  - [  -0.0019829700000000, -0.0011448700000000, -0.0071936200000000 ]  - [   0.0019829700000000, -0.0011448700000000, -0.0071936200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0051880400000000 ]  - [   0.0000000000000000,  0.0000151900000000,  0.0035941200000000 ]  - [  -0.0000131600000000, -0.0000076000000000,  0.0035941200000000 ]  - [   0.0000131600000000, -0.0000076000000000,  0.0035941200000000 ]  - [   0.0023157900000000, -0.0013370200000000,  0.0051153800000000 ]  - [  -0.0023157900000000, -0.0013370200000000,  0.0051153800000000 ]  - [   0.0000000000000000,  0.0026740400000000,  0.0051153800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008196700000000 ]  - [  -0.0037097000000000,  0.0021417900000000,  0.0040187300000000 ]  - [   0.0037097000000000,  0.0021417900000000,  0.0040187300000000 ]  - [   0.0000000000000000, -0.0042835900000000,  0.0040187300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025490900000000 ]  - [  -0.0647017900000000, -0.0373555900000000,  0.0891832100000000 ]  - [  -0.0033713700000000, -0.0012066100000000,  0.0033652200000000 ]  - [  -0.0000825100000000, -0.0000476400000000,  0.0019455000000000 ]  - [  -0.0027306400000000, -0.0023163900000000,  0.0033652200000000 ]  - [   0.0004540500000000,  0.0002621400000000, -0.0023723100000000 ]  - [   0.0006022500000000,  0.0002296500000000, -0.0018009500000000 ]  - [   0.0005036700000000,  0.0002907900000000, -0.0017301800000000 ]  - [   0.0005000000000000,  0.0004067400000000, -0.0018009500000000 ]  - [  -0.0039587900000000,  0.0022856100000000, -0.0021779200000000 ]  - [   0.0039587900000000,  0.0022856100000000, -0.0021779200000000 ]  - [   0.0000000000000000, -0.0045712100000000, -0.0021779200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000220700000000 ]  - [   0.0006006000000000, -0.0003467600000000, -0.0025961600000000 ]  - [  -0.0006006000000000, -0.0003467600000000, -0.0025961600000000 ]  - [   0.0000000000000000,  0.0006935100000000, -0.0025961600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017428700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3995306200000000 ]  - [   0.0000000000000000, -0.0000080900000000,  0.0044226900000000 ]  - [   0.0000070100000000,  0.0000040500000000,  0.0044226900000000 ]  - [  -0.0000070100000000,  0.0000040500000000,  0.0044226900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038629500000000 ]  - [   0.0000000000000000,  0.0000121800000000, -0.0026008000000000 ]  - [  -0.0000105500000000, -0.0000060900000000, -0.0026008000000000 ]  - [   0.0000105500000000, -0.0000060900000000, -0.0026008000000000 ]  - [   0.0000000000000000,  0.0747111900000000,  0.0891832100000000 ]  - [   0.0000000000000000,  0.0000952800000000,  0.0019455000000000 ]  - [  -0.0006407300000000,  0.0035230000000000,  0.0033652200000000 ]  - [   0.0006407300000000,  0.0035230000000000,  0.0033652200000000 ]  - [   0.0000000000000000, -0.0005242900000000, -0.0023723100000000 ]  - [   0.0000000000000000, -0.0005815900000000, -0.0017301800000000 ]  - [   0.0001022400000000, -0.0006363800000000, -0.0018009500000000 ]  - [  -0.0001022400000000, -0.0006363800000000, -0.0018009500000000 ]  - [  -0.0021594900000000,  0.0012467800000000, -0.0021188700000000 ]  - [  -0.0000858100000000,  0.0015144500000000, -0.0020599700000000 ]  - [  -0.0013544600000000, -0.0006829100000000, -0.0020599700000000 ]  - [  -0.0001528800000000,  0.0000882700000000, -0.0007525100000000 ]  - [   0.0014272900000000, -0.0008240400000000,  0.0000119600000000 ]  - [  -0.0026468500000000, -0.0010760600000000, -0.0027366900000000 ]  - [  -0.0003915300000000,  0.0028302700000000, -0.0027366900000000 ]  - [  -0.0012405400000000,  0.0007162300000000, -0.0010938600000000 ]  - [   0.0000858100000000,  0.0015144500000000, -0.0020599700000000 ]  - [   0.0021594900000000,  0.0012467800000000, -0.0021188700000000 ]  - [   0.0013544600000000, -0.0006829100000000, -0.0020599700000000 ]  - [   0.0001528800000000,  0.0000882700000000, -0.0007525100000000 ]  - [   0.0026468500000000, -0.0010760600000000, -0.0027366900000000 ]  - [  -0.0014272900000000, -0.0008240400000000,  0.0000119600000000 ]  - [   0.0003915300000000,  0.0028302700000000, -0.0027366900000000 ]  - [   0.0012405400000000,  0.0007162300000000, -0.0010938600000000 ]  - [  -0.0012686500000000, -0.0008315400000000, -0.0020599700000000 ]  - [   0.0012686500000000, -0.0008315400000000, -0.0020599700000000 ]  - [   0.0000000000000000, -0.0024935600000000, -0.0021188700000000 ]  - [   0.0000000000000000, -0.0001765300000000, -0.0007525100000000 ]  - [   0.0022553200000000, -0.0017542100000000, -0.0027366900000000 ]  - [  -0.0022553200000000, -0.0017542100000000, -0.0027366900000000 ]  - [   0.0000000000000000,  0.0016480900000000,  0.0000119600000000 ]  - [   0.0000000000000000, -0.0014324600000000, -0.0010938600000000 ]  - [   0.0647017900000000, -0.0373555900000000,  0.0891832100000000 ]  - [   0.0033713700000000, -0.0012066100000000,  0.0033652200000000 ]  - [   0.0027306400000000, -0.0023163900000000,  0.0033652200000000 ]  - [   0.0000825100000000, -0.0000476400000000,  0.0019455000000000 ]  - [  -0.0004540500000000,  0.0002621400000000, -0.0023723100000000 ]  - [  -0.0006022500000000,  0.0002296500000000, -0.0018009500000000 ]  - [  -0.0005000000000000,  0.0004067400000000, -0.0018009500000000 ]  - [  -0.0005036700000000,  0.0002907900000000, -0.0017301800000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0079601800000000,  0.0013893000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018565500000000 ]  - [   0.0068937200000000, -0.0039800900000000,  0.0013893000000000 ]  - [  -0.0068937200000000, -0.0039800900000000,  0.0013893000000000 ]  - [   0.0000000000000000, -0.0002974800000000, -0.0017775900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013869000000000 ]  - [  -0.0002576200000000,  0.0001487400000000, -0.0017775900000000 ]  - [   0.0002576200000000,  0.0001487400000000, -0.0017775900000000 ]  - [  -0.0010773200000000,  0.0006219900000000,  0.0065823100000000 ]  - [   0.0010773200000000,  0.0006219900000000,  0.0065823100000000 ]  - [   0.0000000000000000, -0.0012439900000000,  0.0065823100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019908200000000 ]  - [  -0.0000391800000000,  0.0000226200000000, -0.0017422300000000 ]  - [   0.0000391800000000,  0.0000226200000000, -0.0017422300000000 ]  - [   0.0000000000000000, -0.0000452400000000, -0.0017422300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014088400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0112048300000000 ]  - [   0.0000000000000000, -0.0000735700000000,  0.0001039300000000 ]  - [   0.0000637200000000,  0.0000367900000000,  0.0001039300000000 ]  - [  -0.0000637200000000,  0.0000367900000000,  0.0001039300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079402800000000 ]  - [   0.0000000000000000, -0.0000167700000000, -0.0004804600000000 ]  - [   0.0000145200000000,  0.0000083900000000, -0.0004804600000000 ]  - [  -0.0000145200000000,  0.0000083900000000, -0.0004804600000000 ]  - [   0.0000000000000000, -0.0171982400000000, -0.0069901700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025769400000000 ]  - [  -0.0148941100000000,  0.0085991200000000, -0.0069901700000000 ]  - [   0.0148941100000000,  0.0085991200000000, -0.0069901700000000 ]  - [   0.0000000000000000,  0.0016309500000000, -0.0046632600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0039334300000000 ]  - [   0.0014124400000000, -0.0008154700000000, -0.0046632600000000 ]  - [  -0.0014124400000000, -0.0008154700000000, -0.0046632600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.6544393300000000 ]  - [   0.0000000000000000, -0.0022840900000000,  0.0074038300000000 ]  - [   0.0019780800000000,  0.0011420500000000,  0.0074038300000000 ]  - [  -0.0019780800000000,  0.0011420500000000,  0.0074038300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049953300000000 ]  - [   0.0000000000000000, -0.0000137600000000, -0.0033867800000000 ]  - [   0.0000119200000000,  0.0000068800000000, -0.0033867800000000 ]  - [  -0.0000119200000000,  0.0000068800000000, -0.0033867800000000 ]  - [  -0.0023249900000000,  0.0013423300000000, -0.0053187900000000 ]  - [   0.0023249900000000,  0.0013423300000000, -0.0053187900000000 ]  - [   0.0000000000000000, -0.0026846700000000, -0.0053187900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010423000000000 ]  - [   0.0037326800000000, -0.0021550600000000, -0.0042388800000000 ]  - [  -0.0037326800000000, -0.0021550600000000, -0.0042388800000000 ]  - [   0.0000000000000000,  0.0043101300000000, -0.0042388800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027529600000000 ]  - [   0.0655494300000000,  0.0378449800000000, -0.0886850300000000 ]  - [   0.0030227200000000,  0.0010077900000000, -0.0033341000000000 ]  - [  -0.0002575800000000, -0.0001487100000000, -0.0019141000000000 ]  - [   0.0023841400000000,  0.0021138600000000, -0.0033341000000000 ]  - [  -0.0007996200000000, -0.0004616600000000,  0.0024143500000000 ]  - [  -0.0009468400000000, -0.0004294700000000,  0.0018394200000000 ]  - [  -0.0008483700000000, -0.0004898100000000,  0.0017682600000000 ]  - [  -0.0008453500000000, -0.0006052600000000,  0.0018394200000000 ]  - [   0.0039562300000000, -0.0022841300000000,  0.0025090800000000 ]  - [  -0.0039562300000000, -0.0022841300000000,  0.0025090800000000 ]  - [   0.0000000000000000,  0.0045682600000000,  0.0025090800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003211500000000 ]  - [  -0.0006040300000000,  0.0003487400000000,  0.0029325900000000 ]  - [   0.0006040300000000,  0.0003487400000000,  0.0029325900000000 ]  - [   0.0000000000000000, -0.0006974800000000,  0.0029325900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020728200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3731982500000000 ]  - [   0.0000000000000000,  0.0000064900000000, -0.0047517900000000 ]  - [  -0.0000056200000000, -0.0000032400000000, -0.0047517900000000 ]  - [   0.0000056200000000, -0.0000032400000000, -0.0047517900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035434900000000 ]  - [   0.0000000000000000, -0.0000130500000000,  0.0022656700000000 ]  - [   0.0000113000000000,  0.0000065200000000,  0.0022656700000000 ]  - [  -0.0000113000000000,  0.0000065200000000,  0.0022656700000000 ]  - [   0.0000000000000000, -0.0756899600000000, -0.0886850300000000 ]  - [   0.0000000000000000,  0.0002974200000000, -0.0019141000000000 ]  - [   0.0006385900000000, -0.0031216500000000, -0.0033341000000000 ]  - [  -0.0006385900000000, -0.0031216500000000, -0.0033341000000000 ]  - [   0.0000000000000000,  0.0009233200000000,  0.0024143500000000 ]  - [   0.0000000000000000,  0.0009796100000000,  0.0017682600000000 ]  - [  -0.0001014900000000,  0.0010347200000000,  0.0018394200000000 ]  - [   0.0001014900000000,  0.0010347200000000,  0.0018394200000000 ]  - [   0.0018147400000000, -0.0010477400000000,  0.0020830900000000 ]  - [  -0.0002638800000000, -0.0013157100000000,  0.0020248500000000 ]  - [   0.0010075000000000,  0.0008863800000000,  0.0020248500000000 ]  - [  -0.0001905000000000,  0.0001099800000000,  0.0007217200000000 ]  - [  -0.0017834400000000,  0.0010296700000000, -0.0000557100000000 ]  - [   0.0023123300000000,  0.0012936800000000,  0.0027029300000000 ]  - [   0.0000358000000000, -0.0026493800000000,  0.0027029300000000 ]  - [   0.0008949500000000, -0.0005167000000000,  0.0010517900000000 ]  - [   0.0002638800000000, -0.0013157100000000,  0.0020248500000000 ]  - [  -0.0018147400000000, -0.0010477400000000,  0.0020830900000000 ]  - [  -0.0010075000000000,  0.0008863800000000,  0.0020248500000000 ]  - [   0.0001905000000000,  0.0001099800000000,  0.0007217200000000 ]  - [  -0.0023123300000000,  0.0012936800000000,  0.0027029300000000 ]  - [   0.0017834400000000,  0.0010296700000000, -0.0000557100000000 ]  - [  -0.0000358000000000, -0.0026493800000000,  0.0027029300000000 ]  - [  -0.0008949500000000, -0.0005167000000000,  0.0010517900000000 ]  - [   0.0012713800000000,  0.0004293300000000,  0.0020248500000000 ]  - [  -0.0012713800000000,  0.0004293300000000,  0.0020248500000000 ]  - [   0.0000000000000000,  0.0020954800000000,  0.0020830900000000 ]  - [   0.0000000000000000, -0.0002199700000000,  0.0007217200000000 ]  - [  -0.0022765300000000,  0.0013557000000000,  0.0027029300000000 ]  - [   0.0022765300000000,  0.0013557000000000,  0.0027029300000000 ]  - [   0.0000000000000000, -0.0020593400000000, -0.0000557100000000 ]  - [   0.0000000000000000,  0.0010334000000000,  0.0010517900000000 ]  - [  -0.0655494300000000,  0.0378449800000000, -0.0886850300000000 ]  - [  -0.0030227200000000,  0.0010077900000000, -0.0033341000000000 ]  - [  -0.0023841400000000,  0.0021138600000000, -0.0033341000000000 ]  - [   0.0002575800000000, -0.0001487100000000, -0.0019141000000000 ]  - [   0.0007996200000000, -0.0004616600000000,  0.0024143500000000 ]  - [   0.0009468400000000, -0.0004294700000000,  0.0018394200000000 ]  - [   0.0008453500000000, -0.0006052600000000,  0.0018394200000000 ]  - [   0.0008483700000000, -0.0004898100000000,  0.0017682600000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002106600000000, -0.0020061200000000,  0.0010002300000000 ]  - [  -0.0001365800000000,  0.0002813900000000, -0.0003085800000000 ]  - [  -0.0021892100000000,  0.0011783300000000,  0.0017649600000000 ]  - [   0.0017858000000000,  0.0002771700000000, -0.0018171400000000 ]  - [   0.0002528900000000, -0.0001925100000000,  0.0000714300000000 ]  - [  -0.0002423000000000,  0.0000273200000000,  0.0002238700000000 ]  - [  -0.0001981800000000,  0.0002288500000000, -0.0001426700000000 ]  - [   0.0002319000000000, -0.0001188800000000,  0.0012056800000000 ]  - [   0.0028174500000000,  0.0019207900000000, -0.0012650000000000 ]  - [  -0.0029146800000000, -0.0022458700000000,  0.0000686200000000 ]  - [   0.0037624000000000,  0.0014865700000000, -0.0006835100000000 ]  - [  -0.0016279300000000, -0.0009257900000000, -0.0008455400000000 ]  - [   0.0000612300000000,  0.0000825500000000,  0.0002010000000000 ]  - [  -0.0000618200000000, -0.0000503400000000, -0.0000587400000000 ]  - [   0.0001172200000000,  0.0000187700000000,  0.0000777800000000 ]  - [  -0.0001177200000000, -0.0000520300000000,  0.0001418300000000 ]  - [   0.0005401400000000,  0.0002108600000000,  0.0022938500000000 ]  - [  -0.0004910700000000,  0.0001072600000000, -0.0000087000000000 ]  - [   0.0000460500000000,  0.0001596500000000,  0.0004551800000000 ]  - [  -0.0000367500000000, -0.0004256200000000,  0.0000504900000000 ]  - [   0.0018757100000000,  0.0002108300000000, -0.0015151000000000 ]  - [  -0.0014705600000000,  0.0004676900000000,  0.0007324500000000 ]  - [  -0.0000269000000000,  0.0003586300000000, -0.0000578600000000 ]  - [   0.0000613400000000, -0.0011630100000000,  0.0005936600000000 ]  - [   0.0011359200000000, -0.0086761000000000, -0.0068170800000000 ]  - [  -0.0007954800000000,  0.0009956800000000, -0.0002648100000000 ]  - [  -0.0129356900000000,  0.0074388700000000, -0.0104395800000000 ]  - [   0.0210252700000000,  0.0066942200000000, -0.0113812300000000 ]  - [   0.0002706300000000, -0.0004507600000000,  0.0010642500000000 ]  - [  -0.0002739100000000,  0.0000451400000000,  0.0007511100000000 ]  - [  -0.0004199600000000,  0.0003575600000000,  0.0012249500000000 ]  - [   0.0004818600000000,  0.0000878400000000,  0.0001890800000000 ]  - [   0.1864479900000000,  0.0748029600000000, -0.0624356700000000 ]  - [  -0.0129354600000000,  0.0038667700000000, -0.0031104200000000 ]  - [   0.0013267000000000,  0.0029624500000000,  0.0001916100000000 ]  - [  -0.0011439100000000, -0.0096396500000000, -0.0024563400000000 ]  - [   0.0004864900000000,  0.0001435000000000,  0.0007365000000000 ]  - [  -0.0004905300000000,  0.0000996000000000,  0.0008873600000000 ]  - [   0.0000395800000000,  0.0001611800000000,  0.0007874500000000 ]  - [  -0.0000389800000000, -0.0004128000000000,  0.0007841700000000 ]  - [   0.0007583500000000,  0.0006337500000000, -0.0001924100000000 ]  - [  -0.0007760300000000, -0.0005667700000000,  0.0018826900000000 ]  - [   0.0010622200000000,  0.0003696100000000,  0.0010828700000000 ]  - [  -0.0012429100000000, -0.0005656300000000, -0.0001266700000000 ]  - [   0.0017177200000000,  0.0090808900000000,  0.0023711200000000 ]  - [  -0.0019772000000000, -0.0023328100000000, -0.0017092700000000 ]  - [   0.0069165600000000, -0.0005057800000000,  0.0001000900000000 ]  - [  -0.0078632400000000, -0.0038351100000000,  0.0009670200000000 ]  - [  -0.2860920200000000, -0.1292028600000000,  0.1111806300000000 ]  - [   0.0082487700000000,  0.0011533900000000, -0.0011177500000000 ]  - [  -0.0011222500000000, -0.0018562100000000,  0.0006665300000000 ]  - [   0.0028738800000000,  0.0042663000000000, -0.0004058700000000 ]  - [  -0.0004942100000000, -0.0002331600000000, -0.0002593100000000 ]  - [   0.0002933500000000,  0.0000274900000000, -0.0004227200000000 ]  - [  -0.0000806100000000, -0.0001056500000000, -0.0002899000000000 ]  - [   0.0000512600000000,  0.0001688300000000, -0.0003741000000000 ]  - [  -0.0008815600000000, -0.0003857200000000,  0.0007524600000000 ]  - [   0.0010665300000000,  0.0006804100000000, -0.0012306900000000 ]  - [  -0.0007833700000000, -0.0006617500000000, -0.0006717000000000 ]  - [   0.0008060900000000,  0.0004024500000000,  0.0003126300000000 ]  - [  -0.0004202300000000, -0.0017211600000000, -0.0014847700000000 ]  - [   0.0003233600000000,  0.0004211700000000,  0.0010829900000000 ]  - [  -0.0013459500000000,  0.0001479300000000, -0.0002827500000000 ]  - [   0.0017674900000000,  0.0008633800000000, -0.0012199000000000 ]  - [   0.0047851400000000,  0.0099421700000000, -0.0181332300000000 ]  - [   0.0027321500000000, -0.0005923800000000,  0.0017100700000000 ]  - [  -0.0002929500000000, -0.0007278700000000, -0.0002155300000000 ]  - [   0.0003520400000000,  0.0020742100000000,  0.0013861700000000 ]  - [  -0.0003009700000000, -0.0000709400000000, -0.0004178500000000 ]  - [   0.0003077900000000, -0.0000869500000000, -0.0007816100000000 ]  - [   0.0000182900000000, -0.0000980700000000, -0.0006038000000000 ]  - [  -0.0000127800000000,  0.0002556100000000, -0.0006760000000000 ]  - [   0.0046188900000000,  0.0259854900000000,  0.0012429500000000 ]  - [   0.0023997900000000, -0.0016304900000000,  0.0000801700000000 ]  - [   0.0007210300000000, -0.0025752100000000, -0.0004149000000000 ]  - [   0.0011575500000000,  0.0118229000000000,  0.0042283300000000 ]  - [  -0.0001300300000000,  0.0000742800000000, -0.0003540800000000 ]  - [   0.0001347900000000, -0.0000448100000000, -0.0003567500000000 ]  - [   0.0000384100000000, -0.0000995400000000, -0.0003508000000000 ]  - [  -0.0000396600000000,  0.0003439900000000, -0.0002723000000000 ]  - [  -0.0002576800000000, -0.0000144800000000, -0.0000644000000000 ]  - [  -0.0002551600000000,  0.0005448300000000, -0.0008251300000000 ]  - [  -0.0011888800000000,  0.0002764200000000, -0.0002180200000000 ]  - [   0.0004787800000000, -0.0000822100000000, -0.0002583300000000 ]  - [   0.0007104700000000, -0.0019372900000000,  0.0000811600000000 ]  - [   0.0007170600000000,  0.0009395400000000,  0.0014047800000000 ]  - [  -0.0069647500000000,  0.0030053900000000, -0.0037134300000000 ]  - [   0.0049093800000000, -0.0012431100000000,  0.0020913600000000 ]  - [  -0.0004619800000000, -0.0000340200000000, -0.0001482200000000 ]  - [   0.0009977700000000,  0.0005732400000000, -0.0007734900000000 ]  - [  -0.0000762300000000, -0.0002555800000000, -0.0005627900000000 ]  - [   0.0009797100000000,  0.0005611800000000,  0.0002896200000000 ]  - [  -0.0029836200000000, -0.0021439400000000,  0.0015107000000000 ]  - [   0.0015987200000000,  0.0009785000000000, -0.0002541400000000 ]  - [  -0.0029255500000000, -0.0021631700000000,  0.0027260900000000 ]  - [   0.0124390500000000,  0.0071277100000000, -0.0081481200000000 ]  - [  -0.0003530300000000, -0.0007609700000000,  0.0001472900000000 ]  - [   0.0003402500000000, -0.0003333800000000, -0.0008494000000000 ]  - [  -0.0001436800000000, -0.0006151400000000, -0.0004666800000000 ]  - [   0.0001625300000000,  0.0002614100000000, -0.0002093300000000 ]  - [   0.0013402400000000, -0.0078425200000000, -0.0079569900000000 ]  - [   0.0014349400000000,  0.0015067800000000,  0.0024278900000000 ]  - [  -0.0010544400000000,  0.0000718400000000,  0.0000690200000000 ]  - [   0.0013276200000000,  0.0033274600000000,  0.0013425900000000 ]  - [   0.0516225300000000,  0.0014625800000000,  0.0004052200000000 ]  - [   0.0148535200000000, -0.0039377000000000,  0.0043775800000000 ]  - [  -0.0005980300000000, -0.0001014200000000,  0.0001236800000000 ]  - [  -0.0005962100000000,  0.0018318600000000,  0.0002086800000000 ]  - [  -0.0000869500000000, -0.0000451800000000, -0.0003877500000000 ]  - [   0.0002818800000000, -0.0001551600000000, -0.0002822300000000 ]  - [   0.0000140600000000, -0.0000219700000000, -0.0003173700000000 ]  - [   0.0000126200000000,  0.0000902000000000, -0.0003414200000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002114200000000,  0.0019991500000000, -0.0009981500000000 ]  - [   0.0001366300000000, -0.0002774900000000,  0.0003059900000000 ]  - [   0.0021835700000000, -0.0011809400000000, -0.0017771100000000 ]  - [  -0.0017440900000000, -0.0002602100000000,  0.0018500100000000 ]  - [  -0.0002533200000000,  0.0001878100000000, -0.0000710600000000 ]  - [   0.0002426000000000, -0.0000258300000000, -0.0002222200000000 ]  - [   0.0001961600000000, -0.0002289000000000,  0.0001458000000000 ]  - [  -0.0002261000000000,  0.0001203600000000, -0.0012010500000000 ]  - [  -0.0027516400000000, -0.0019928000000000,  0.0009041500000000 ]  - [   0.0029070400000000,  0.0022593000000000, -0.0004566500000000 ]  - [  -0.0037923100000000, -0.0014395300000000,  0.0003156100000000 ]  - [   0.0016252900000000,  0.0009153000000000,  0.0004588300000000 ]  - [  -0.0000606000000000, -0.0000817600000000, -0.0005783700000000 ]  - [   0.0000613700000000,  0.0000504600000000, -0.0003180700000000 ]  - [  -0.0001166600000000, -0.0000192200000000, -0.0004559400000000 ]  - [   0.0001178700000000,  0.0000513400000000, -0.0005178400000000 ]  - [  -0.0005394200000000, -0.0002107100000000, -0.0019016100000000 ]  - [   0.0004922800000000, -0.0001067500000000,  0.0003862600000000 ]  - [  -0.0000458700000000, -0.0001602100000000, -0.0000747100000000 ]  - [   0.0000375800000000,  0.0004252200000000,  0.0003300200000000 ]  - [  -0.0018922800000000, -0.0002168100000000,  0.0018667000000000 ]  - [   0.0014678900000000, -0.0004605600000000, -0.0003445500000000 ]  - [   0.0000247600000000, -0.0003615200000000,  0.0004382000000000 ]  - [  -0.0000564000000000,  0.0011581100000000, -0.0002123500000000 ]  - [  -0.0011369400000000,  0.0086213200000000,  0.0067861700000000 ]  - [   0.0007984100000000, -0.0009783000000000,  0.0002668600000000 ]  - [   0.0129696300000000, -0.0074911100000000,  0.0105062700000000 ]  - [  -0.0199692400000000, -0.0059418600000000,  0.0103492000000000 ]  - [  -0.0002714300000000,  0.0004492200000000, -0.0010580600000000 ]  - [   0.0002747300000000, -0.0000424500000000, -0.0007447400000000 ]  - [   0.0004167700000000, -0.0003564000000000, -0.0012204700000000 ]  - [  -0.0004767600000000, -0.0000865700000000, -0.0001815800000000 ]  - [  -0.1961885700000000, -0.0816395400000000,  0.0679188600000000 ]  - [   0.0128998000000000, -0.0038128200000000,  0.0032814800000000 ]  - [  -0.0013310400000000, -0.0029813200000000,  0.0000154600000000 ]  - [   0.0011423000000000,  0.0096147700000000,  0.0026562800000000 ]  - [  -0.0004868100000000, -0.0001450700000000, -0.0005182100000000 ]  - [   0.0004900600000000, -0.0000994000000000, -0.0006634900000000 ]  - [  -0.0000399100000000, -0.0001615400000000, -0.0005650700000000 ]  - [   0.0000413600000000,  0.0004119200000000, -0.0005623800000000 ]  - [  -0.0007545400000000, -0.0006350200000000, -0.0000166200000000 ]  - [   0.0007746100000000,  0.0005667800000000, -0.0020937100000000 ]  - [  -0.0010651800000000, -0.0003660300000000, -0.0012822900000000 ]  - [   0.0012459600000000,  0.0005636300000000, -0.0000901400000000 ]  - [  -0.0016994700000000, -0.0090597500000000, -0.0025857700000000 ]  - [   0.0019661100000000,  0.0023550800000000,  0.0015007200000000 ]  - [  -0.0069572500000000,  0.0005191900000000, -0.0003259800000000 ]  - [   0.0078419900000000,  0.0038026400000000, -0.0011661700000000 ]  - [   0.2951182800000000,  0.1353091900000000, -0.1156182800000000 ]  - [  -0.0085952200000000, -0.0013670900000000,  0.0011554700000000 ]  - [   0.0007778900000000,  0.0016469600000000, -0.0006346000000000 ]  - [  -0.0032144500000000, -0.0044591200000000,  0.0004364200000000 ]  - [   0.0001459700000000,  0.0000288200000000,  0.0002855600000000 ]  - [  -0.0006416100000000, -0.0002337300000000,  0.0004480700000000 ]  - [  -0.0002680100000000, -0.0001012200000000,  0.0003162400000000 ]  - [  -0.0004004900000000, -0.0003742100000000,  0.0003995700000000 ]  - [   0.0008768200000000,  0.0003876400000000, -0.0004425100000000 ]  - [  -0.0010626500000000, -0.0006778300000000,  0.0015433300000000 ]  - [   0.0007889600000000,  0.0006561800000000,  0.0009733400000000 ]  - [  -0.0008089100000000, -0.0003999700000000,  0.0000043500000000 ]  - [   0.0004158200000000,  0.0017171300000000,  0.0017927400000000 ]  - [  -0.0003215200000000, -0.0004268800000000, -0.0007763100000000 ]  - [   0.0013545000000000, -0.0001480300000000,  0.0005984400000000 ]  - [  -0.0017595600000000, -0.0008544200000000,  0.0015134700000000 ]  - [  -0.0046593600000000, -0.0100057800000000,  0.0179262500000000 ]  - [  -0.0027286000000000,  0.0005840600000000, -0.0019977900000000 ]  - [   0.0002954600000000,  0.0007301900000000, -0.0000940500000000 ]  - [  -0.0003508600000000, -0.0020703300000000, -0.0016885800000000 ]  - [   0.0003022800000000,  0.0000728500000000,  0.0001044200000000 ]  - [  -0.0003068000000000,  0.0000862100000000,  0.0004608000000000 ]  - [  -0.0000177500000000,  0.0000977300000000,  0.0002855600000000 ]  - [   0.0000107900000000, -0.0002546600000000,  0.0003573800000000 ]  - [  -0.0044864200000000, -0.0256496700000000, -0.0011773200000000 ]  - [  -0.0023920000000000,  0.0020096500000000, -0.0000478900000000 ]  - [  -0.0007115500000000,  0.0030054800000000,  0.0004588400000000 ]  - [  -0.0011719100000000, -0.0113579500000000, -0.0041610000000000 ]  - [   0.0001352500000000,  0.0003338400000000,  0.0003851400000000 ]  - [  -0.0001302000000000,  0.0004502700000000,  0.0003856200000000 ]  - [  -0.0000337800000000,  0.0005052200000000,  0.0003807200000000 ]  - [   0.0000418900000000,  0.0000611300000000,  0.0003011800000000 ]  - [  -0.0000929000000000,  0.0002157700000000,  0.0000298300000000 ]  - [  -0.0000922300000000, -0.0003426800000000,  0.0007909100000000 ]  - [   0.0008406900000000, -0.0000762200000000,  0.0001808600000000 ]  - [  -0.0008259800000000,  0.0002841200000000,  0.0002279600000000 ]  - [  -0.0010599800000000,  0.0021338900000000, -0.0001135800000000 ]  - [  -0.0010518900000000, -0.0007433400000000, -0.0014294900000000 ]  - [   0.0065839700000000, -0.0028424400000000,  0.0037252500000000 ]  - [  -0.0052531600000000,  0.0014532200000000, -0.0021327100000000 ]  - [   0.0008116200000000,  0.0002416000000000,  0.0001175100000000 ]  - [  -0.0006472700000000, -0.0003647200000000,  0.0007430600000000 ]  - [   0.0004335100000000,  0.0004633500000000,  0.0005297400000000 ]  - [  -0.0006331500000000, -0.0003549300000000, -0.0003190400000000 ]  - [   0.0033170300000000,  0.0023495200000000, -0.0015281700000000 ]  - [  -0.0012488800000000, -0.0007780700000000,  0.0002242900000000 ]  - [   0.0032983900000000,  0.0023768900000000, -0.0027630000000000 ]  - [  -0.0119910600000000, -0.0068682400000000,  0.0080496100000000 ]  - [   0.0003471200000000,  0.0003534100000000, -0.0001827500000000 ]  - [  -0.0003440200000000, -0.0000741200000000,  0.0008163300000000 ]  - [   0.0001419500000000,  0.0002023000000000,  0.0004293900000000 ]  - [  -0.0001670200000000, -0.0006658500000000,  0.0001768000000000 ]  - [  -0.0013742000000000,  0.0073937200000000,  0.0078908000000000 ]  - [  -0.0014374300000000, -0.0019301600000000, -0.0024767100000000 ]  - [   0.0010557700000000, -0.0004849700000000, -0.0001014100000000 ]  - [  -0.0013244400000000, -0.0037060600000000, -0.0013676300000000 ]  - [  -0.0524414000000000, -0.0017131500000000, -0.0003396300000000 ]  - [  -0.0143778700000000,  0.0037107100000000, -0.0043133800000000 ]  - [   0.0009409700000000, -0.0000890200000000, -0.0000912800000000 ]  - [   0.0009409000000000, -0.0020329900000000, -0.0001723500000000 ]  - [   0.0004349900000000, -0.0001529600000000,  0.0004182900000000 ]  - [   0.0000636500000000, -0.0000439700000000,  0.0003104700000000 ]  - [   0.0003322000000000, -0.0001783600000000,  0.0003471900000000 ]  - [   0.0003303100000000, -0.0002891100000000,  0.0003697400000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000004000000000,  0.0020663400000000,  0.0000137300000000 ]  - [  -0.0000661600000000, -0.0000382000000000,  0.0004974900000000 ]  - [   0.0017893000000000, -0.0010335200000000,  0.0000137300000000 ]  - [  -0.0016572700000000, -0.0009568200000000,  0.0016572600000000 ]  - [  -0.0001789400000000, -0.0000354900000000, -0.0005932900000000 ]  - [   0.0001672300000000,  0.0000965500000000, -0.0006214900000000 ]  - [  -0.0001202000000000, -0.0001372200000000, -0.0005932900000000 ]  - [   0.0001776500000000,  0.0001025700000000, -0.0016166500000000 ]  - [  -0.0011103800000000, -0.0002077600000000,  0.0025558500000000 ]  - [   0.0012337600000000,  0.0007123100000000,  0.0009470800000000 ]  - [  -0.0007351200000000, -0.0008577400000000,  0.0025558500000000 ]  - [   0.0003948400000000,  0.0002279600000000,  0.0009892200000000 ]  - [  -0.0000184400000000, -0.0000418300000000, -0.0010380900000000 ]  - [   0.0000186800000000,  0.0000107900000000, -0.0007629700000000 ]  - [  -0.0000454500000000,  0.0000049400000000, -0.0010380900000000 ]  - [   0.0000424600000000,  0.0000245200000000, -0.0009083300000000 ]  - [  -0.0000170200000000, -0.0000098300000000, -0.0029921900000000 ]  - [  -0.0001409800000000,  0.0001019400000000, -0.0000483900000000 ]  - [  -0.0000089300000000, -0.0000051600000000, -0.0000503500000000 ]  - [   0.0000177900000000, -0.0001730600000000, -0.0000483900000000 ]  - [  -0.0021777000000000, -0.0012572900000000, -0.0023029900000000 ]  - [   0.0009399000000000, -0.0003073500000000, -0.0000781000000000 ]  - [  -0.0001142400000000, -0.0000659600000000,  0.0002351400000000 ]  - [   0.0002037800000000,  0.0009676600000000, -0.0000781000000000 ]  - [  -0.0007543000000000,  0.0014524500000000,  0.0038262800000000 ]  - [   0.0004248600000000,  0.0002452900000000,  0.0025484600000000 ]  - [   0.0008807100000000, -0.0013794600000000,  0.0038262800000000 ]  - [  -0.0099260700000000, -0.0057308200000000,  0.0185526800000000 ]  - [   0.0000074200000000,  0.0004420300000000, -0.0022611500000000 ]  - [  -0.0000100700000000, -0.0000058100000000, -0.0019744100000000 ]  - [   0.0003865200000000, -0.0002145900000000, -0.0022611500000000 ]  - [  -0.0003212600000000, -0.0001854800000000, -0.0028661700000000 ]  - [  -0.0592642200000000, -0.0342162100000000,  0.0889111100000000 ]  - [   0.0031974800000000, -0.0014641800000000,  0.0034590200000000 ]  - [  -0.0002613100000000, -0.0001508700000000,  0.0020404100000000 ]  - [   0.0003307200000000,  0.0035011900000000,  0.0034590200000000 ]  - [  -0.0001344900000000, -0.0000776500000000, -0.0022845600000000 ]  - [   0.0001289700000000, -0.0000245200000000, -0.0017121500000000 ]  - [  -0.0000433500000000, -0.0000250300000000, -0.0016411300000000 ]  - [   0.0000432500000000,  0.0001239600000000, -0.0017121500000000 ]  - [  -0.0007340400000000,  0.0007391000000000, -0.0021449300000000 ]  - [   0.0008009700000000,  0.0004624400000000, -0.0022069200000000 ]  - [   0.0002730600000000, -0.0010052500000000, -0.0021449300000000 ]  - [  -0.0004789100000000, -0.0002765000000000, -0.0008423900000000 ]  - [   0.0000626100000000, -0.0085625200000000, -0.0028213200000000 ]  - [   0.0002081100000000,  0.0001201500000000, -0.0000792800000000 ]  - [  -0.0073840500000000,  0.0043354800000000, -0.0028213200000000 ]  - [   0.0048164800000000,  0.0027808000000000, -0.0011778200000000 ]  - [   0.1135922600000000,  0.0655825200000000, -0.1192975100000000 ]  - [  -0.0013084200000000,  0.0000652300000000, -0.0009097500000000 ]  - [   0.0004641000000000,  0.0002679500000000, -0.0012026500000000 ]  - [  -0.0005977200000000, -0.0011657400000000, -0.0009097500000000 ]  - [  -0.0004551600000000, -0.0002627900000000,  0.0012480400000000 ]  - [  -0.0006169300000000, -0.0003004500000000,  0.0009299100000000 ]  - [  -0.0004843300000000, -0.0002796300000000,  0.0008708700000000 ]  - [  -0.0005686600000000, -0.0003840500000000,  0.0009299100000000 ]  - [   0.0009632600000000, -0.0008351600000000,  0.0012671500000000 ]  - [  -0.0012829400000000, -0.0007407100000000,  0.0012690600000000 ]  - [  -0.0002416400000000,  0.0012517900000000,  0.0012671500000000 ]  - [   0.0002579000000000,  0.0001489000000000,  0.0004251000000000 ]  - [   0.0001200700000000,  0.0015387400000000,  0.0021051500000000 ]  - [  -0.0000036700000000, -0.0000021200000000,  0.0003033000000000 ]  - [   0.0013926200000000, -0.0006653900000000,  0.0021051500000000 ]  - [  -0.0011016400000000, -0.0006360300000000,  0.0016151100000000 ]  - [  -0.0309195400000000, -0.0178514100000000,  0.0250816800000000 ]  - [  -0.0003645700000000,  0.0000669100000000, -0.0024067900000000 ]  - [   0.0001279900000000,  0.0000739000000000, -0.0013526300000000 ]  - [  -0.0001243400000000, -0.0003491800000000, -0.0024067900000000 ]  - [   0.0001743100000000,  0.0001006400000000,  0.0015933400000000 ]  - [  -0.0001809700000000,  0.0000600200000000,  0.0011108900000000 ]  - [   0.0000356400000000,  0.0000205800000000,  0.0010073100000000 ]  - [  -0.0000385100000000, -0.0001867300000000,  0.0011108900000000 ]  - [   0.0009109100000000, -0.0005987700000000, -0.0131238700000000 ]  - [  -0.0005407400000000,  0.0003996600000000, -0.0010587700000000 ]  - [  -0.0001238000000000,  0.0000575200000000, -0.0010614000000000 ]  - [  -0.0001550700000000, -0.0047158400000000, -0.0047113100000000 ]  - [   0.0000355900000000,  0.0006523400000000,  0.0011268500000000 ]  - [  -0.0000319200000000,  0.0006112600000000,  0.0009003700000000 ]  - [  -0.0000141700000000,  0.0006276900000000,  0.0009007800000000 ]  - [   0.0000104500000000,  0.0005448200000000,  0.0010518900000000 ]  - [   0.0006268700000000, -0.0003911900000000,  0.0008978600000000 ]  - [  -0.0001358400000000, -0.0003875800000000,  0.0008987300000000 ]  - [   0.0000155400000000,  0.0004098300000000,  0.0010771200000000 ]  - [   0.0000622700000000,  0.0000224200000000,  0.0005435600000000 ]  - [  -0.0015918200000000,  0.0021057700000000, -0.0006430500000000 ]  - [  -0.0002725700000000,  0.0001446600000000, -0.0006391400000000 ]  - [   0.0035200800000000, -0.0068554400000000,  0.0069640700000000 ]  - [  -0.0022791400000000,  0.0004451600000000, -0.0007861800000000 ]  - [   0.0000507400000000, -0.0004489000000000,  0.0009269800000000 ]  - [  -0.0005740300000000, -0.0003314200000000,  0.0009006300000000 ]  - [  -0.0003633900000000,  0.0002683900000000,  0.0009269800000000 ]  - [   0.0004885600000000,  0.0002820700000000,  0.0009094700000000 ]  - [   0.0016887200000000,  0.0023857000000000, -0.0007629200000000 ]  - [  -0.0000540600000000, -0.0000312100000000, -0.0001655900000000 ]  - [   0.0029104300000000,  0.0002696300000000, -0.0007629200000000 ]  - [  -0.0078847900000000, -0.0045522900000000,  0.0052320500000000 ]  - [   0.0003627000000000, -0.0001914600000000,  0.0010771200000000 ]  - [  -0.0004035700000000,  0.0000761500000000,  0.0008987300000000 ]  - [  -0.0000253400000000,  0.0007384800000000,  0.0008978600000000 ]  - [   0.0000505600000000,  0.0000427200000000,  0.0005435600000000 ]  - [  -0.0041769400000000,  0.0064761900000000,  0.0069640700000000 ]  - [  -0.0000110100000000, -0.0003083800000000, -0.0006391400000000 ]  - [   0.0010277300000000, -0.0024314400000000, -0.0006430500000000 ]  - [  -0.0007540500000000, -0.0021963700000000, -0.0007861800000000 ]  - [  -0.0000630900000000,  0.0010882600000000, -0.0131238700000000 ]  - [  -0.0041615800000000,  0.0022236300000000, -0.0047113100000000 ]  - [  -0.0000120900000000, -0.0001359700000000, -0.0010614000000000 ]  - [   0.0000757400000000, -0.0006681300000000, -0.0010587700000000 ]  - [   0.0005827400000000, -0.0002953500000000,  0.0011268500000000 ]  - [   0.0004770500000000, -0.0002633600000000,  0.0010518900000000 ]  - [   0.0005365100000000, -0.0003261200000000,  0.0009007800000000 ]  - [   0.0005134100000000, -0.0003332700000000,  0.0009003700000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0000011900000000, -0.0020673600000000, -0.0000021800000000 ]  - [   0.0000661000000000,  0.0000381600000000, -0.0004951700000000 ]  - [  -0.0017909800000000,  0.0010326400000000, -0.0000021800000000 ]  - [   0.0017098500000000,  0.0009871800000000, -0.0015656200000000 ]  - [   0.0001803700000000,  0.0000363300000000,  0.0005912200000000 ]  - [  -0.0001690900000000, -0.0000976200000000,  0.0006220700000000 ]  - [   0.0001216500000000,  0.0001380500000000,  0.0005912200000000 ]  - [  -0.0001796200000000, -0.0001037000000000,  0.0016251600000000 ]  - [   0.0011280700000000,  0.0002026100000000, -0.0029375400000000 ]  - [  -0.0012485600000000, -0.0007208600000000, -0.0013170600000000 ]  - [   0.0007395000000000,  0.0008756400000000, -0.0029375400000000 ]  - [  -0.0004009600000000, -0.0002315000000000, -0.0013683300000000 ]  - [   0.0000178900000000,  0.0000434300000000,  0.0006617300000000 ]  - [  -0.0000186400000000, -0.0000107600000000,  0.0003845200000000 ]  - [   0.0000465600000000, -0.0000062200000000,  0.0006617300000000 ]  - [  -0.0000438800000000, -0.0000253300000000,  0.0005306800000000 ]  - [   0.0000177000000000,  0.0000102200000000,  0.0033683500000000 ]  - [   0.0001388200000000, -0.0001005900000000,  0.0004278200000000 ]  - [   0.0000091900000000,  0.0000053000000000,  0.0004314500000000 ]  - [  -0.0000177000000000,  0.0001705200000000,  0.0004278200000000 ]  - [   0.0021960300000000,  0.0012678800000000,  0.0026780400000000 ]  - [  -0.0009503800000000,  0.0003096900000000,  0.0004557600000000 ]  - [   0.0001161400000000,  0.0000670600000000,  0.0001400700000000 ]  - [  -0.0002069900000000, -0.0009778900000000,  0.0004557600000000 ]  - [   0.0007682600000000, -0.0015235300000000, -0.0039036900000000 ]  - [  -0.0004307600000000, -0.0002487000000000, -0.0025697300000000 ]  - [  -0.0009352800000000,  0.0014271000000000, -0.0039036900000000 ]  - [   0.0106296500000000,  0.0061370300000000, -0.0189451700000000 ]  - [  -0.0000067600000000, -0.0004398400000000,  0.0022696400000000 ]  - [   0.0000101600000000,  0.0000058700000000,  0.0019833000000000 ]  - [  -0.0003842900000000,  0.0002140700000000,  0.0022696400000000 ]  - [   0.0003254700000000,  0.0001879100000000,  0.0028739000000000 ]  - [   0.0577207200000000,  0.0333250700000000, -0.0889678200000000 ]  - [  -0.0032276500000000,  0.0014615200000000, -0.0032466300000000 ]  - [   0.0002699600000000,  0.0001558600000000, -0.0018265900000000 ]  - [  -0.0003481100000000, -0.0035259900000000, -0.0032466300000000 ]  - [   0.0001348000000000,  0.0000778300000000,  0.0024987300000000 ]  - [  -0.0001330800000000,  0.0000262300000000,  0.0019242400000000 ]  - [   0.0000424900000000,  0.0000245300000000,  0.0018533800000000 ]  - [  -0.0000438200000000, -0.0001283600000000,  0.0019242400000000 ]  - [   0.0007337000000000, -0.0007355200000000,  0.0019473100000000 ]  - [  -0.0007959700000000, -0.0004595500000000,  0.0020025800000000 ]  - [  -0.0002701300000000,  0.0010031700000000,  0.0019473100000000 ]  - [   0.0004726300000000,  0.0002728700000000,  0.0006383500000000 ]  - [  -0.0000463800000000,  0.0086468200000000,  0.0026233700000000 ]  - [  -0.0002184400000000, -0.0001261100000000, -0.0001420200000000 ]  - [   0.0074651700000000, -0.0043635800000000,  0.0026233700000000 ]  - [  -0.0048542300000000, -0.0028025900000000,  0.0009707500000000 ]  - [  -0.1130813800000000, -0.0652875700000000,  0.1196157900000000 ]  - [   0.0009761500000000, -0.0002662600000000,  0.0009465300000000 ]  - [  -0.0008224200000000, -0.0004748200000000,  0.0012478400000000 ]  - [   0.0002574800000000,  0.0009785000000000,  0.0009465300000000 ]  - [   0.0001049000000000,  0.0000605600000000, -0.0012119600000000 ]  - [   0.0002669500000000,  0.0000977500000000, -0.0008939200000000 ]  - [   0.0001344700000000,  0.0000776400000000, -0.0008348600000000 ]  - [   0.0002181300000000,  0.0001823100000000, -0.0008939200000000 ]  - [  -0.0009636100000000,  0.0008335900000000, -0.0009323000000000 ]  - [   0.0012775400000000,  0.0007375900000000, -0.0009308500000000 ]  - [   0.0002401000000000, -0.0012513000000000, -0.0009323000000000 ]  - [  -0.0002549600000000, -0.0001472000000000, -0.0000841800000000 ]  - [  -0.0001249400000000, -0.0015535400000000, -0.0017743100000000 ]  - [   0.0000041800000000,  0.0000024200000000,  0.0000461100000000 ]  - [  -0.0014078700000000,  0.0006685700000000, -0.0017743100000000 ]  - [   0.0011107800000000,  0.0006413100000000, -0.0012770800000000 ]  - [   0.0303828600000000,  0.0175415500000000, -0.0248795100000000 ]  - [   0.0003713000000000, -0.0000680500000000,  0.0020639100000000 ]  - [  -0.0001291700000000, -0.0000745800000000,  0.0010056200000000 ]  - [   0.0001267200000000,  0.0003555800000000,  0.0020639100000000 ]  - [  -0.0001746300000000, -0.0001008200000000, -0.0019427900000000 ]  - [   0.0001828800000000, -0.0000610700000000, -0.0014566000000000 ]  - [  -0.0000357100000000, -0.0000206200000000, -0.0013536900000000 ]  - [   0.0000385600000000,  0.0001889200000000, -0.0014566000000000 ]  - [  -0.0007657900000000,  0.0012084000000000,  0.0131489000000000 ]  - [   0.0005481700000000,  0.0000044300000000,  0.0011062800000000 ]  - [   0.0001292700000000,  0.0003337700000000,  0.0011028400000000 ]  - [   0.0001472000000000,  0.0051296900000000,  0.0047831100000000 ]  - [  -0.0000326900000000, -0.0002561800000000, -0.0010887000000000 ]  - [   0.0000343900000000, -0.0002099900000000, -0.0008603300000000 ]  - [   0.0000163600000000, -0.0002268400000000, -0.0008605900000000 ]  - [  -0.0000086800000000, -0.0001440100000000, -0.0010130800000000 ]  - [  -0.0009770100000000,  0.0005901600000000, -0.0009451800000000 ]  - [  -0.0002141200000000,  0.0005842200000000, -0.0009440900000000 ]  - [  -0.0003689600000000, -0.0002078400000000, -0.0011249800000000 ]  - [  -0.0004107700000000,  0.0001773100000000, -0.0005900500000000 ]  - [   0.0012542500000000, -0.0019268200000000,  0.0006093400000000 ]  - [  -0.0000641200000000,  0.0000517000000000,  0.0006140300000000 ]  - [  -0.0039072300000000,  0.0071437300000000, -0.0070896400000000 ]  - [   0.0019545400000000, -0.0002521600000000,  0.0007561600000000 ]  - [   0.0003018900000000,  0.0006512800000000, -0.0009710300000000 ]  - [   0.0009282700000000,  0.0005359300000000, -0.0009443700000000 ]  - [   0.0007149800000000, -0.0000641900000000, -0.0009710300000000 ]  - [  -0.0001361500000000, -0.0000786100000000, -0.0009477800000000 ]  - [  -0.0013630000000000, -0.0022042100000000,  0.0007432200000000 ]  - [   0.0004109600000000,  0.0002372700000000,  0.0001276600000000 ]  - [  -0.0025904000000000, -0.0000782900000000,  0.0007432200000000 ]  - [   0.0083029200000000,  0.0047936900000000, -0.0053209500000000 ]  - [  -0.0003644700000000, -0.0002156100000000, -0.0011249800000000 ]  - [   0.0003988900000000, -0.0004775500000000, -0.0009440900000000 ]  - [   0.0000225900000000, -0.0011412000000000, -0.0009451800000000 ]  - [  -0.0000518300000000, -0.0004443900000000, -0.0005900500000000 ]  - [   0.0042330400000000, -0.0069556300000000, -0.0070896400000000 ]  - [   0.0000127200000000, -0.0000813800000000,  0.0006140300000000 ]  - [  -0.0010415500000000,  0.0020496200000000,  0.0006093400000000 ]  - [   0.0007589000000000,  0.0018187600000000,  0.0007561600000000 ]  - [   0.0006636100000000, -0.0012673900000000,  0.0131489000000000 ]  - [   0.0045160400000000, -0.0024373700000000,  0.0047831100000000 ]  - [   0.0003536900000000, -0.0000549400000000,  0.0011028400000000 ]  - [   0.0002779300000000,  0.0004725200000000,  0.0011062800000000 ]  - [  -0.0002382000000000,  0.0000997800000000, -0.0010887000000000 ]  - [  -0.0001290500000000,  0.0000644900000000, -0.0010130800000000 ]  - [  -0.0001882700000000,  0.0001275900000000, -0.0008605900000000 ]  - [  -0.0001646600000000,  0.0001347800000000, -0.0008603300000000 ]- atom:   57  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010615000000000, -0.0013618900000000, -0.0013259100000000 ]  - [  -0.0010024600000000,  0.0013328800000000,  0.0013118900000000 ]  - [  -0.0004845400000000, -0.0000012000000000, -0.0000010300000000 ]  - [   0.0013038900000000, -0.0000002500000000, -0.0000057800000000 ]  - [  -0.0000108700000000, -0.0000488100000000,  0.0001664900000000 ]  - [  -0.0000105100000000,  0.0000478400000000, -0.0001632300000000 ]  - [  -0.0000749000000000, -0.0000002400000000,  0.0000010400000000 ]  - [   0.0000727300000000,  0.0000005700000000,  0.0000016300000000 ]  - [   0.0014643200000000,  0.0000012800000000, -0.0001793100000000 ]  - [  -0.0008561200000000, -0.0000007100000000, -0.0001906500000000 ]  - [   0.0000128100000000,  0.0005018400000000, -0.0000515200000000 ]  - [   0.0000117600000000, -0.0005009900000000, -0.0003308200000000 ]  - [   0.0008037600000000, -0.0000017200000000, -0.0001868200000000 ]  - [  -0.0003999600000000,  0.0000000900000000, -0.0001915600000000 ]  - [  -0.0000139800000000,  0.0002234000000000, -0.0002798600000000 ]  - [  -0.0000127500000000, -0.0002228400000000, -0.0001023600000000 ]  - [  -0.0021501300000000,  0.0023009400000000,  0.0015704800000000 ]  - [  -0.0021483700000000, -0.0023100900000000, -0.0012051700000000 ]  - [   0.0018441100000000, -0.0000067700000000,  0.0001909600000000 ]  - [  -0.0007857700000000,  0.0000015800000000,  0.0001881600000000 ]  - [   0.0000016400000000,  0.0000425700000000,  0.0001109600000000 ]  - [   0.0000017700000000, -0.0000427900000000,  0.0002764800000000 ]  - [   0.0000756300000000,  0.0000002900000000,  0.0001932400000000 ]  - [  -0.0000749400000000,  0.0000001100000000,  0.0001930700000000 ]  - [  -0.0000163000000000, -0.0004968100000000, -0.0009395500000000 ]  - [  -0.0000147900000000,  0.0004979500000000,  0.0009516000000000 ]  - [  -0.0008831800000000, -0.0000019800000000,  0.0000034300000000 ]  - [   0.0008463000000000, -0.0000007100000000,  0.0000048900000000 ]  - [  -0.0052931600000000, -0.0031641000000000,  0.0045040900000000 ]  - [  -0.0052654800000000,  0.0031489500000000, -0.0044989900000000 ]  - [  -0.0003943100000000, -0.0000004500000000, -0.0000040500000000 ]  - [   0.0001892900000000,  0.0000354000000000,  0.0000174900000000 ]  - [  -0.0000227100000000,  0.0008660100000000, -0.0038453500000000 ]  - [  -0.0000221200000000, -0.0008696300000000,  0.0040710300000000 ]  - [   0.0014812300000000,  0.0000029000000000,  0.0001007600000000 ]  - [  -0.0013924400000000,  0.0000027800000000,  0.0001093300000000 ]  - [   0.0000593600000000,  0.0016084400000000,  0.0007128100000000 ]  - [   0.0000746100000000, -0.0016102300000000, -0.0004916500000000 ]  - [   0.0028549500000000, -0.0000019900000000,  0.0001087800000000 ]  - [  -0.0019393700000000,  0.0000037100000000,  0.0001079500000000 ]  - [   0.0597433600000000,  0.0000142900000000, -0.0011107400000000 ]  - [  -0.0039169000000000,  0.0000003800000000, -0.0001156200000000 ]  - [   0.0000269500000000,  0.0022830700000000, -0.0001078100000000 ]  - [   0.0000381100000000, -0.0022790200000000, -0.0001209800000000 ]  - [   0.0004822300000000, -0.0000004900000000, -0.0000993500000000 ]  - [  -0.0004975200000000,  0.0000002300000000, -0.0001002000000000 ]  - [  -0.0000002800000000,  0.0002874700000000, -0.0001113700000000 ]  - [  -0.0000005600000000, -0.0002871800000000, -0.0000897600000000 ]  - [  -0.0010518100000000, -0.0007067500000000,  0.0009784900000000 ]  - [   0.0008923200000000,  0.0005771100000000, -0.0012665200000000 ]  - [  -0.0009617700000000, -0.0005463800000000, -0.0002239400000000 ]  - [   0.0006323100000000,  0.0002970200000000,  0.0002700100000000 ]  - [  -0.0005850200000000, -0.0004926200000000,  0.0001327600000000 ]  - [   0.0001452400000000,  0.0003193300000000,  0.0000129900000000 ]  - [  -0.0015237500000000, -0.0012835900000000,  0.0014160000000000 ]  - [   0.0015919800000000,  0.0007564000000000, -0.0010914800000000 ]  - [  -0.0535441100000000,  0.0001725900000000,  0.0010549700000000 ]  - [   0.0015839100000000,  0.0000023500000000,  0.0001679800000000 ]  - [  -0.0000252900000000, -0.0009320000000000,  0.0001565800000000 ]  - [  -0.0000275000000000,  0.0009278100000000,  0.0001807400000000 ]  - [  -0.0001450400000000,  0.0000005900000000,  0.0001575900000000 ]  - [   0.0001486200000000, -0.0000003500000000,  0.0001579600000000 ]  - [   0.0000008000000000, -0.0000855800000000,  0.0001535200000000 ]  - [   0.0000005000000000,  0.0000857300000000,  0.0001637400000000 ]  - [   0.0017462100000000, -0.0017259100000000,  0.0026460000000000 ]  - [   0.0017588800000000,  0.0017399900000000, -0.0029851800000000 ]  - [  -0.0012494200000000,  0.0000009200000000, -0.0001586200000000 ]  - [   0.0012772300000000, -0.0000032800000000, -0.0001640300000000 ]  - [  -0.0000299300000000, -0.0003002000000000, -0.0004979900000000 ]  - [  -0.0000321200000000,  0.0003010000000000,  0.0001646000000000 ]  - [  -0.0005526100000000,  0.0000000700000000, -0.0001645600000000 ]  - [   0.0004402200000000, -0.0000007000000000, -0.0001657000000000 ]  - [   0.0000762000000000,  0.0003653100000000,  0.0012197600000000 ]  - [   0.0000757600000000,  0.0000396800000000, -0.0011882300000000 ]  - [  -0.0001088400000000,  0.0002031600000000,  0.0000197200000000 ]  - [   0.0001147300000000,  0.0002012100000000,  0.0000176400000000 ]  - [   0.0004817500000000, -0.0010007200000000, -0.0012620300000000 ]  - [   0.0004764400000000,  0.0014062500000000,  0.0012940800000000 ]  - [  -0.0004088500000000,  0.0002040900000000,  0.0000187000000000 ]  - [   0.0002777700000000,  0.0001942200000000,  0.0000132900000000 ]  - [   0.0045357300000000, -0.0099323300000000,  0.0307398700000000 ]  - [   0.0025600200000000, -0.0006006100000000,  0.0003553800000000 ]  - [   0.0001858200000000, -0.0006897900000000,  0.0001125700000000 ]  - [  -0.0004665200000000,  0.0008287800000000, -0.0001446400000000 ]  - [  -0.0004734300000000,  0.0001716600000000, -0.0001943800000000 ]  - [   0.0001341200000000,  0.0000282400000000,  0.0001621000000000 ]  - [  -0.0001844400000000,  0.0000023700000000,  0.0000182500000000 ]  - [  -0.0001567400000000,  0.0001985200000000, -0.0000558000000000 ]  - [   0.0049121200000000,  0.0100200300000000, -0.0305568600000000 ]  - [   0.0029025800000000,  0.0008027600000000, -0.0003804500000000 ]  - [  -0.0001191700000000, -0.0006252800000000,  0.0001141800000000 ]  - [   0.0005187800000000,  0.0008826800000000, -0.0001369000000000 ]  - [  -0.0001268400000000,  0.0000317800000000,  0.0001558300000000 ]  - [   0.0004826000000000,  0.0001751100000000, -0.0002017600000000 ]  - [   0.0001924200000000,  0.0000055800000000,  0.0000171800000000 ]  - [   0.0001639500000000,  0.0002014500000000, -0.0000574700000000 ]  - [  -0.0125543900000000, -0.0002496800000000, -0.0001113200000000 ]  - [   0.0009654500000000, -0.0002016500000000, -0.0000156600000000 ]  - [   0.0002537400000000, -0.0022191500000000, -0.0002576500000000 ]  - [   0.0002538500000000,  0.0018149300000000,  0.0002280800000000 ]  - [  -0.0001789500000000, -0.0002028000000000, -0.0000207200000000 ]  - [   0.0001842600000000, -0.0002027600000000, -0.0000205700000000 ]  - [  -0.0000004700000000, -0.0004671400000000, -0.0001648900000000 ]  - [  -0.0000004900000000,  0.0000577100000000,  0.0001227100000000 ]  - [   0.0012351500000000, -0.0007767000000000,  0.0012951700000000 ]  - [  -0.0007092900000000,  0.0005073700000000, -0.0009478400000000 ]  - [  -0.0006114700000000,  0.0003398000000000,  0.0002584600000000 ]  - [   0.0009816600000000, -0.0005022600000000, -0.0002400200000000 ]  - [   0.0004977400000000, -0.0005231500000000,  0.0000225300000000 ]  - [  -0.0002524600000000,  0.0002904300000000, -0.0001114100000000 ]  - [  -0.0011775400000000,  0.0010819000000000, -0.0013834300000000 ]  - [   0.0019344900000000, -0.0009586600000000,  0.0011234900000000 ]- atom:   57  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0018690300000000, -0.0010790800000000,  0.0026235400000000 ]  - [   0.0018690300000000, -0.0010790800000000,  0.0026235400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013574000000000 ]  - [   0.0000000000000000,  0.0021581600000000,  0.0026235400000000 ]  - [   0.0000276800000000,  0.0000159800000000, -0.0012650400000000 ]  - [  -0.0000276800000000,  0.0000159800000000, -0.0012650400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009683400000000 ]  - [   0.0000000000000000, -0.0000319600000000, -0.0012650400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0080815800000000 ]  - [   0.0000000000000000, -0.0000730000000000, -0.0000841300000000 ]  - [   0.0000632200000000,  0.0000365000000000, -0.0000841300000000 ]  - [  -0.0000632200000000,  0.0000365000000000, -0.0000841300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028112600000000 ]  - [   0.0000000000000000, -0.0001287700000000, -0.0007189300000000 ]  - [   0.0001115200000000,  0.0000643800000000, -0.0007189300000000 ]  - [  -0.0001115200000000,  0.0000643800000000, -0.0007189300000000 ]  - [   0.0015081000000000, -0.0008707000000000,  0.0029970600000000 ]  - [  -0.0015081000000000, -0.0008707000000000,  0.0029970600000000 ]  - [   0.0000000000000000,  0.0017414100000000,  0.0029970600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016897200000000 ]  - [  -0.0001012600000000,  0.0000584600000000, -0.0008930100000000 ]  - [   0.0001012600000000,  0.0000584600000000, -0.0008930100000000 ]  - [   0.0000000000000000, -0.0001169200000000, -0.0008930100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006962500000000 ]  - [  -0.0015151200000000, -0.0008747600000000, -0.0031666600000000 ]  - [   0.0015151200000000, -0.0008747600000000, -0.0031666600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025216800000000 ]  - [   0.0000000000000000,  0.0017495100000000, -0.0031666600000000 ]  - [   0.0083529800000000,  0.0048225900000000, -0.0039866700000000 ]  - [  -0.0083529800000000,  0.0048225900000000, -0.0039866700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012875600000000 ]  - [   0.0000000000000000, -0.0096451900000000, -0.0039866700000000 ]  - [  -0.0024285300000000,  0.0014021100000000, -0.0022391300000000 ]  - [   0.0024285300000000,  0.0014021100000000, -0.0022391300000000 ]  - [   0.0000000000000000, -0.0028042200000000, -0.0022391300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000362800000000 ]  - [   0.0020994600000000, -0.0012121200000000, -0.0026433100000000 ]  - [  -0.0020994600000000, -0.0012121200000000, -0.0026433100000000 ]  - [   0.0000000000000000,  0.0024242500000000, -0.0026433100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017900900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3992659200000000 ]  - [   0.0000000000000000, -0.0012763800000000,  0.0044735000000000 ]  - [   0.0011053800000000,  0.0006381900000000,  0.0044735000000000 ]  - [  -0.0011053800000000,  0.0006381900000000,  0.0044735000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038132800000000 ]  - [   0.0000000000000000,  0.0000433500000000, -0.0025508500000000 ]  - [  -0.0000375400000000, -0.0000216700000000, -0.0025508500000000 ]  - [   0.0000375400000000, -0.0000216700000000, -0.0025508500000000 ]  - [   0.0003911100000000, -0.0014053400000000,  0.0011382400000000 ]  - [  -0.0015873200000000, -0.0009164400000000,  0.0011389500000000 ]  - [  -0.0010215100000000,  0.0010413800000000,  0.0011382400000000 ]  - [  -0.0000513600000000, -0.0000296600000000,  0.0002949200000000 ]  - [  -0.0018432500000000,  0.0003200400000000,  0.0019753000000000 ]  - [   0.0007280500000000,  0.0004203400000000,  0.0001628400000000 ]  - [  -0.0006444600000000, -0.0017563200000000,  0.0019753000000000 ]  - [  -0.0015648000000000, -0.0009034400000000,  0.0014824900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.4857931700000000 ]  - [   0.0000000000000000,  0.0000142600000000, -0.0027908600000000 ]  - [  -0.0000123500000000, -0.0000071300000000, -0.0027908600000000 ]  - [   0.0000123500000000, -0.0000071300000000, -0.0027908600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026015500000000 ]  - [   0.0000000000000000,  0.0000060100000000,  0.0019276500000000 ]  - [  -0.0000052100000000, -0.0000030100000000,  0.0019276500000000 ]  - [   0.0000052100000000, -0.0000030100000000,  0.0019276500000000 ]  - [   0.0028129500000000, -0.0016240600000000,  0.0001840400000000 ]  - [  -0.0028129500000000, -0.0016240600000000,  0.0001840400000000 ]  - [   0.0000000000000000,  0.0032481200000000,  0.0001840400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004066800000000 ]  - [  -0.0003321400000000,  0.0001917600000000,  0.0017260800000000 ]  - [   0.0003321400000000,  0.0001917600000000,  0.0017260800000000 ]  - [   0.0000000000000000, -0.0003835300000000,  0.0017260800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017265300000000 ]  - [   0.0014126100000000,  0.0003639600000000,  0.0011382400000000 ]  - [  -0.0014126100000000,  0.0003639600000000,  0.0011382400000000 ]  - [   0.0000000000000000,  0.0018328800000000,  0.0011389500000000 ]  - [   0.0000000000000000,  0.0000593100000000,  0.0002949200000000 ]  - [  -0.0011987900000000,  0.0014362800000000,  0.0019753000000000 ]  - [   0.0011987900000000,  0.0014362800000000,  0.0019753000000000 ]  - [   0.0000000000000000, -0.0008406800000000,  0.0001628400000000 ]  - [   0.0000000000000000,  0.0018068800000000,  0.0014824900000000 ]  - [   0.0179547100000000, -0.0103661600000000,  0.0251051300000000 ]  - [  -0.0020596100000000,  0.0008254900000000, -0.0022750300000000 ]  - [  -0.0017447000000000,  0.0013709300000000, -0.0022750300000000 ]  - [  -0.0001375800000000,  0.0000794300000000, -0.0012122500000000 ]  - [   0.0000613000000000, -0.0000353900000000,  0.0017298600000000 ]  - [   0.0004152300000000, -0.0001201300000000,  0.0012463700000000 ]  - [   0.0003116600000000, -0.0002995300000000,  0.0012463700000000 ]  - [   0.0002417600000000, -0.0001395800000000,  0.0011439400000000 ]  - [  -0.0179547100000000, -0.0103661600000000,  0.0251051300000000 ]  - [   0.0020596100000000,  0.0008254900000000, -0.0022750300000000 ]  - [   0.0001375800000000,  0.0000794300000000, -0.0012122500000000 ]  - [   0.0017447000000000,  0.0013709300000000, -0.0022750300000000 ]  - [  -0.0000613000000000, -0.0000353900000000,  0.0017298600000000 ]  - [  -0.0004152300000000, -0.0001201300000000,  0.0012463700000000 ]  - [  -0.0002417600000000, -0.0001395800000000,  0.0011439400000000 ]  - [  -0.0003116600000000, -0.0002995300000000,  0.0012463700000000 ]  - [   0.0000000000000000,  0.0207323100000000,  0.0251051300000000 ]  - [   0.0000000000000000, -0.0001588600000000, -0.0012122500000000 ]  - [   0.0003149100000000, -0.0021964200000000, -0.0022750300000000 ]  - [  -0.0003149100000000, -0.0021964200000000, -0.0022750300000000 ]  - [   0.0000000000000000,  0.0000707800000000,  0.0017298600000000 ]  - [   0.0000000000000000,  0.0002791600000000,  0.0011439400000000 ]  - [  -0.0001035800000000,  0.0004196700000000,  0.0012463700000000 ]  - [   0.0001035800000000,  0.0004196700000000,  0.0012463700000000 ]  - [   0.0015873200000000, -0.0009164400000000,  0.0011389500000000 ]  - [  -0.0003911100000000, -0.0014053400000000,  0.0011382400000000 ]  - [   0.0010215100000000,  0.0010413800000000,  0.0011382400000000 ]  - [   0.0000513600000000, -0.0000296600000000,  0.0002949200000000 ]  - [  -0.0007280500000000,  0.0004203400000000,  0.0001628400000000 ]  - [   0.0018432500000000,  0.0003200400000000,  0.0019753000000000 ]  - [   0.0006444600000000, -0.0017563200000000,  0.0019753000000000 ]  - [   0.0015648000000000, -0.0009034400000000,  0.0014824900000000 ]- atom:   57  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0018445700000000,  0.0010649600000000, -0.0026396500000000 ]  - [  -0.0018445700000000,  0.0010649600000000, -0.0026396500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013555900000000 ]  - [   0.0000000000000000, -0.0021299200000000, -0.0026396500000000 ]  - [  -0.0000292900000000, -0.0000169100000000,  0.0012634000000000 ]  - [   0.0000292900000000, -0.0000169100000000,  0.0012634000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009690700000000 ]  - [   0.0000000000000000,  0.0000338200000000,  0.0012634000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0091302000000000 ]  - [   0.0000000000000000,  0.0000747600000000, -0.0002908800000000 ]  - [  -0.0000647500000000, -0.0000373800000000, -0.0002908800000000 ]  - [   0.0000647500000000, -0.0000373800000000, -0.0002908800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024401100000000 ]  - [   0.0000000000000000,  0.0001278000000000,  0.0003491100000000 ]  - [  -0.0001106700000000, -0.0000639000000000,  0.0003491100000000 ]  - [   0.0001106700000000, -0.0000639000000000,  0.0003491100000000 ]  - [  -0.0015314200000000,  0.0008841700000000, -0.0026055800000000 ]  - [   0.0015314200000000,  0.0008841700000000, -0.0026055800000000 ]  - [   0.0000000000000000, -0.0017683400000000, -0.0026055800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013141000000000 ]  - [   0.0001018800000000, -0.0000588200000000,  0.0012655200000000 ]  - [  -0.0001018800000000, -0.0000588200000000,  0.0012655200000000 ]  - [   0.0000000000000000,  0.0001176400000000,  0.0012655200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010642800000000 ]  - [   0.0015280100000000,  0.0008822000000000,  0.0031662300000000 ]  - [  -0.0015280100000000,  0.0008822000000000,  0.0031662300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025166800000000 ]  - [   0.0000000000000000, -0.0017643900000000,  0.0031662300000000 ]  - [  -0.0083433600000000, -0.0048170400000000,  0.0039889200000000 ]  - [   0.0083433600000000, -0.0048170400000000,  0.0039889200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012787100000000 ]  - [   0.0000000000000000,  0.0096340800000000,  0.0039889200000000 ]  - [   0.0024522300000000, -0.0014158000000000,  0.0024236700000000 ]  - [  -0.0024522300000000, -0.0014158000000000,  0.0024236700000000 ]  - [   0.0000000000000000,  0.0028316000000000,  0.0024236700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002383200000000 ]  - [  -0.0020950500000000,  0.0012095800000000,  0.0028643500000000 ]  - [   0.0020950500000000,  0.0012095800000000,  0.0028643500000000 ]  - [   0.0000000000000000, -0.0024191500000000,  0.0028643500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020067700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3734290800000000 ]  - [   0.0000000000000000,  0.0012731300000000, -0.0046821200000000 ]  - [  -0.0011025600000000, -0.0006365700000000, -0.0046821200000000 ]  - [   0.0011025600000000, -0.0006365700000000, -0.0046821200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036155400000000 ]  - [   0.0000000000000000, -0.0000445000000000,  0.0023394600000000 ]  - [   0.0000385400000000,  0.0000222500000000,  0.0023394600000000 ]  - [  -0.0000385400000000,  0.0000222500000000,  0.0023394600000000 ]  - [  -0.0007577300000000,  0.0012097000000000, -0.0010846200000000 ]  - [   0.0012331700000000,  0.0007119700000000, -0.0010838700000000 ]  - [   0.0006687700000000, -0.0012610600000000, -0.0010846200000000 ]  - [  -0.0003108900000000, -0.0001794900000000, -0.0002388500000000 ]  - [   0.0014833700000000, -0.0005260300000000, -0.0019298400000000 ]  - [  -0.0010816000000000, -0.0006244600000000, -0.0001207400000000 ]  - [   0.0002861300000000,  0.0015476500000000, -0.0019298400000000 ]  - [   0.0012113500000000,  0.0006993700000000, -0.0014360400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.4597102300000000 ]  - [   0.0000000000000000, -0.0000148600000000,  0.0031421100000000 ]  - [   0.0000128700000000,  0.0000074300000000,  0.0031421100000000 ]  - [  -0.0000128700000000,  0.0000074300000000,  0.0031421100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022614700000000 ]  - [   0.0000000000000000, -0.0000058600000000, -0.0015811900000000 ]  - [   0.0000050800000000,  0.0000029300000000, -0.0015811900000000 ]  - [  -0.0000050800000000,  0.0000029300000000, -0.0015811900000000 ]  - [  -0.0028168800000000,  0.0016263300000000, -0.0004959400000000 ]  - [   0.0028168800000000,  0.0016263300000000, -0.0004959400000000 ]  - [   0.0000000000000000, -0.0032526500000000, -0.0004959400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000696700000000 ]  - [   0.0003307300000000, -0.0001909500000000, -0.0020812500000000 ]  - [  -0.0003307300000000, -0.0001909500000000, -0.0020812500000000 ]  - [   0.0000000000000000,  0.0003819000000000, -0.0020812500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020712200000000 ]  - [  -0.0014265000000000,  0.0000513600000000, -0.0010846200000000 ]  - [   0.0014265000000000,  0.0000513600000000, -0.0010846200000000 ]  - [   0.0000000000000000, -0.0014239400000000, -0.0010838700000000 ]  - [   0.0000000000000000,  0.0003589800000000, -0.0002388500000000 ]  - [   0.0011972400000000, -0.0010216300000000, -0.0019298400000000 ]  - [  -0.0011972400000000, -0.0010216300000000, -0.0019298400000000 ]  - [   0.0000000000000000,  0.0012489300000000, -0.0001207400000000 ]  - [   0.0000000000000000, -0.0013987500000000, -0.0014360400000000 ]  - [  -0.0180546500000000,  0.0104238500000000, -0.0248296300000000 ]  - [   0.0016965100000000, -0.0006143200000000,  0.0022211900000000 ]  - [   0.0013802700000000, -0.0011620600000000,  0.0022211900000000 ]  - [  -0.0002162300000000,  0.0001248400000000,  0.0011652800000000 ]  - [  -0.0004132000000000,  0.0002385600000000, -0.0017815500000000 ]  - [  -0.0007758600000000,  0.0003272200000000, -0.0012942500000000 ]  - [  -0.0006713100000000,  0.0005083000000000, -0.0012942500000000 ]  - [  -0.0005974400000000,  0.0003449300000000, -0.0011891600000000 ]  - [   0.0180546500000000,  0.0104238500000000, -0.0248296300000000 ]  - [  -0.0016965100000000, -0.0006143200000000,  0.0022211900000000 ]  - [   0.0002162300000000,  0.0001248400000000,  0.0011652800000000 ]  - [  -0.0013802700000000, -0.0011620600000000,  0.0022211900000000 ]  - [   0.0004132000000000,  0.0002385600000000, -0.0017815500000000 ]  - [   0.0007758600000000,  0.0003272200000000, -0.0012942500000000 ]  - [   0.0005974400000000,  0.0003449300000000, -0.0011891600000000 ]  - [   0.0006713100000000,  0.0005083000000000, -0.0012942500000000 ]  - [   0.0000000000000000, -0.0208477100000000, -0.0248296300000000 ]  - [   0.0000000000000000, -0.0002496800000000,  0.0011652800000000 ]  - [  -0.0003162400000000,  0.0017763800000000,  0.0022211900000000 ]  - [   0.0003162400000000,  0.0017763800000000,  0.0022211900000000 ]  - [   0.0000000000000000, -0.0004771200000000, -0.0017815500000000 ]  - [   0.0000000000000000, -0.0006898600000000, -0.0011891600000000 ]  - [   0.0001045500000000, -0.0008355200000000, -0.0012942500000000 ]  - [  -0.0001045500000000, -0.0008355200000000, -0.0012942500000000 ]  - [  -0.0012331700000000,  0.0007119700000000, -0.0010838700000000 ]  - [   0.0007577300000000,  0.0012097000000000, -0.0010846200000000 ]  - [  -0.0006687700000000, -0.0012610600000000, -0.0010846200000000 ]  - [   0.0003108900000000, -0.0001794900000000, -0.0002388500000000 ]  - [   0.0010816000000000, -0.0006244600000000, -0.0001207400000000 ]  - [  -0.0014833700000000, -0.0005260300000000, -0.0019298400000000 ]  - [  -0.0002861300000000,  0.0015476500000000, -0.0019298400000000 ]  - [  -0.0012113500000000,  0.0006993700000000, -0.0014360400000000 ]