# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/97e5eed9-6cd2-4f9a-8570-0cccf40ca027/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 K2AgP / Cmcm (63) / materials id 9778](https://mdr.nims.go.jp/datasets/5af1d227-0860-41f2-a45c-05a5c16472d0)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.892413570000000,    -3.801941145000000,     0.000000000000000 ] # a  - [     4.892413570000000,     3.801941145000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.924883800000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.247915150000000,  0.752084850000000,  0.250000000000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.752084850000000,  0.247915150000000,  0.750000000000000 ]    mass: 30.973762  - symbol: K  # 3    coordinates: [  0.030820650000000,  0.311751850000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.688248150000000,  0.969179350000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 5    coordinates: [  0.969179350000000,  0.688248150000000,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 6    coordinates: [  0.311751850000000,  0.030820650000000,  0.750000000000000 ]    mass: 39.098300  - symbol: Ag # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200  - symbol: Ag # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200  reciprocal_lattice: # without 2pi  - [     0.102199046103946,    -0.131511767523692,     0.000000000000000 ] # a*  - [     0.102199046103946,     0.131511767523692,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.168779681383794 ] # c*unit_cell:  lattice:  - [     9.784827140000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.603882290000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.924883800000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.000000000000000,  0.752084850000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.000000000000000,  0.247915150000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.500000000000000,  0.252084850000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 4    coordinates: [  0.500000000000000,  0.747915150000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: K  # 5    coordinates: [  0.671286250000000,  0.640465600000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.328713750000000,  0.640465600000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 7    coordinates: [  0.328713750000000,  0.359534400000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.671286250000000,  0.359534400000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 8  - symbol: K  # 9    coordinates: [  0.171286250000000,  0.140465600000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 10    coordinates: [  0.828713750000000,  0.140465600000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 11    coordinates: [  0.828713750000000,  0.859534400000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 12    coordinates: [  0.171286250000000,  0.859534400000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 8  - symbol: Ag # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 14  - symbol: Ag # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 16    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 14supercell:  lattice:  - [    19.569654280000002,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.207764579999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.849767600000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.000000000000000,  0.376042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.500000000000000,  0.376042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.000000000000000,  0.876042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 4    coordinates: [  0.500000000000000,  0.876042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 5    coordinates: [  0.000000000000000,  0.376042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 6    coordinates: [  0.500000000000000,  0.376042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 7    coordinates: [  0.000000000000000,  0.876042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 8    coordinates: [  0.500000000000000,  0.876042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 9    coordinates: [  0.000000000000000,  0.123957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.500000000000000,  0.123957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 11    coordinates: [  0.000000000000000,  0.623957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 12    coordinates: [  0.500000000000000,  0.623957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 13    coordinates: [  0.000000000000000,  0.123957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 14    coordinates: [  0.500000000000000,  0.123957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 15    coordinates: [  0.000000000000000,  0.623957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 16    coordinates: [  0.500000000000000,  0.623957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 17    coordinates: [  0.250000000000000,  0.126042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 18    coordinates: [  0.750000000000000,  0.126042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 19    coordinates: [  0.250000000000000,  0.626042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 20    coordinates: [  0.750000000000000,  0.626042425000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 21    coordinates: [  0.250000000000000,  0.126042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 22    coordinates: [  0.750000000000000,  0.126042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 23    coordinates: [  0.250000000000000,  0.626042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 24    coordinates: [  0.750000000000000,  0.626042425000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 25    coordinates: [  0.250000000000000,  0.373957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 26    coordinates: [  0.750000000000000,  0.373957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 27    coordinates: [  0.250000000000000,  0.873957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 28    coordinates: [  0.750000000000000,  0.873957575000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 29    coordinates: [  0.250000000000000,  0.373957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 30    coordinates: [  0.750000000000000,  0.373957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 31    coordinates: [  0.250000000000000,  0.873957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 32    coordinates: [  0.750000000000000,  0.873957575000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: K  # 33    coordinates: [  0.335643125000000,  0.320232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.835643125000000,  0.320232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 35    coordinates: [  0.335643125000000,  0.820232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 36    coordinates: [  0.835643125000000,  0.820232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 37    coordinates: [  0.335643125000000,  0.320232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 38    coordinates: [  0.835643125000000,  0.320232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 39    coordinates: [  0.335643125000000,  0.820232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 40    coordinates: [  0.835643125000000,  0.820232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 41    coordinates: [  0.164356875000000,  0.320232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.664356875000000,  0.320232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 43    coordinates: [  0.164356875000000,  0.820232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 44    coordinates: [  0.664356875000000,  0.820232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 45    coordinates: [  0.164356875000000,  0.320232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 46    coordinates: [  0.664356875000000,  0.320232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 47    coordinates: [  0.164356875000000,  0.820232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 48    coordinates: [  0.664356875000000,  0.820232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 49    coordinates: [  0.164356875000000,  0.179767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.664356875000000,  0.179767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 51    coordinates: [  0.164356875000000,  0.679767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 52    coordinates: [  0.664356875000000,  0.679767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 53    coordinates: [  0.164356875000000,  0.179767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 54    coordinates: [  0.664356875000000,  0.179767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 55    coordinates: [  0.164356875000000,  0.679767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 56    coordinates: [  0.664356875000000,  0.679767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 57    coordinates: [  0.335643125000000,  0.179767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.835643125000000,  0.179767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 59    coordinates: [  0.335643125000000,  0.679767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 60    coordinates: [  0.835643125000000,  0.679767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 61    coordinates: [  0.335643125000000,  0.179767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 62    coordinates: [  0.835643125000000,  0.179767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 63    coordinates: [  0.335643125000000,  0.679767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 64    coordinates: [  0.835643125000000,  0.679767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 65    coordinates: [  0.085643125000000,  0.070232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 66    coordinates: [  0.585643125000000,  0.070232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 67    coordinates: [  0.085643125000000,  0.570232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 68    coordinates: [  0.585643125000000,  0.570232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 69    coordinates: [  0.085643125000000,  0.070232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 70    coordinates: [  0.585643125000000,  0.070232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 71    coordinates: [  0.085643125000000,  0.570232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 72    coordinates: [  0.585643125000000,  0.570232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 73    coordinates: [  0.414356875000000,  0.070232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 74    coordinates: [  0.914356875000000,  0.070232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 75    coordinates: [  0.414356875000000,  0.570232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 76    coordinates: [  0.914356875000000,  0.570232800000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 77    coordinates: [  0.414356875000000,  0.070232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 78    coordinates: [  0.914356875000000,  0.070232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 79    coordinates: [  0.414356875000000,  0.570232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 80    coordinates: [  0.914356875000000,  0.570232800000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 81    coordinates: [  0.414356875000000,  0.429767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 82    coordinates: [  0.914356875000000,  0.429767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 83    coordinates: [  0.414356875000000,  0.929767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 84    coordinates: [  0.914356875000000,  0.929767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 85    coordinates: [  0.414356875000000,  0.429767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 86    coordinates: [  0.914356875000000,  0.429767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 87    coordinates: [  0.414356875000000,  0.929767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 88    coordinates: [  0.914356875000000,  0.929767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 89    coordinates: [  0.085643125000000,  0.429767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 90    coordinates: [  0.585643125000000,  0.429767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 91    coordinates: [  0.085643125000000,  0.929767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 92    coordinates: [  0.585643125000000,  0.929767200000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 93    coordinates: [  0.085643125000000,  0.429767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 94    coordinates: [  0.585643125000000,  0.429767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 95    coordinates: [  0.085643125000000,  0.929767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 96    coordinates: [  0.585643125000000,  0.929767200000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: Ag # 97    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 98    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 99    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 100    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 101    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 102    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 103    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 104    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 105    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 106    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 107    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 108    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 109    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 110    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 111    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 112    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 113    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 114    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 115    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 116    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 117    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 118    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 119    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 120    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 97  - symbol: Ag # 121    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 122    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 123    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 124    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 125    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 126    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 127    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105  - symbol: Ag # 128    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 105born_effective_charge:- # 1 (P)  - [ -1.613571470000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.689837900000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.825106360000000 ]- # 2 (P)  - [ -1.613571470000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.689837900000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.825106360000000 ]- # 3 (K)  - [  1.169112670000000, -0.097125650000000,  0.000000000000000 ]  - [ -0.231609650000000,  1.133158440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.112001470000000 ]- # 4 (K)  - [  1.169112670000000,  0.097125650000000,  0.000000000000000 ]  - [  0.231609650000000,  1.133158440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.112001470000000 ]- # 5 (K)  - [  1.169112670000000, -0.097125650000000,  0.000000000000000 ]  - [ -0.231609650000000,  1.133158440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.112001470000000 ]- # 6 (K)  - [  1.169112670000000,  0.097125650000000,  0.000000000000000 ]  - [  0.231609650000000,  1.133158440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.112001470000000 ]- # 7 (Ag)  - [ -0.724653870000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.423521030000000,  0.697430390000000 ]  - [  0.000000000000000,  1.726959840000000,  0.601103420000000 ]- # 8 (Ag)  - [ -0.724653870000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  0.423521030000000, -0.697430390000000 ]  - [ -0.000000000000000, -1.726959840000000,  0.601103420000000 ]dielectric_constant:  - [  5.296706780000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  6.687397680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 10.595330990000001 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0264396700000000,  0.0032893500000000,  0.0000000000000000 ]  - [   0.0003799500000000,  0.0034389500000000,  0.0000000000000000 ]  - [  -0.0000479500000000,  0.0034402600000000,  0.0000000000000000 ]  - [   0.0002021400000000,  0.0034388100000000,  0.0000000000000000 ]  - [  -0.0006079900000000,  0.0034354300000000,  0.0000000000000000 ]  - [   0.0003758400000000,  0.0034385900000000,  0.0000000000000000 ]  - [  -0.0000515400000000,  0.0034421000000000,  0.0000000000000000 ]  - [   0.0001500400000000,  0.0034392100000000,  0.0000000000000000 ]  - [  -0.0023407600000000, -0.0034282800000000, -0.0000058000000000 ]  - [   0.0001908400000000, -0.0034389800000000,  0.0000001600000000 ]  - [  -0.0006613300000000, -0.0034373400000000,  0.0000006700000000 ]  - [   0.0002968600000000, -0.0034387800000000,  0.0000000500000000 ]  - [  -0.0023407600000000, -0.0034282800000000,  0.0000058000000000 ]  - [   0.0001908400000000, -0.0034389800000000, -0.0000001600000000 ]  - [  -0.0006613300000000, -0.0034373400000000, -0.0000006700000000 ]  - [   0.0002968600000000, -0.0034387800000000, -0.0000000500000000 ]  - [   0.0002506400000000,  0.0026490700000000,  0.0000000000000000 ]  - [   0.0002506700000000,  0.0042235200000000,  0.0000000000000000 ]  - [   0.0002507400000000,  0.0038208700000000,  0.0000000000000000 ]  - [   0.0002506200000000,  0.0030577700000000,  0.0000000000000000 ]  - [  -0.0000621900000000,  0.0033209200000000,  0.0000000000000000 ]  - [  -0.0000600000000000,  0.0035566200000000,  0.0000000000000000 ]  - [  -0.0000614600000000,  0.0038335300000000,  0.0000000000000000 ]  - [  -0.0000608200000000,  0.0030454700000000,  0.0000000000000000 ]  - [   0.0006452600000000, -0.0033345700000000,  0.0007216300000000 ]  - [   0.0006440500000000, -0.0035423300000000, -0.0007180100000000 ]  - [  -0.0000327000000000, -0.0034594500000000,  0.0001212800000000 ]  - [  -0.0000318400000000, -0.0034180200000000, -0.0001205700000000 ]  - [   0.0006452600000000, -0.0033345700000000, -0.0007216300000000 ]  - [   0.0006440500000000, -0.0035423300000000,  0.0007180100000000 ]  - [  -0.0000327000000000, -0.0034594500000000, -0.0001212800000000 ]  - [  -0.0000318400000000, -0.0034180200000000,  0.0001205700000000 ]  - [  -0.0000903500000000, -0.0016921300000000,  0.0000000000000000 ]  - [   0.0070347700000000, -0.0007266800000000,  0.0000000000000000 ]  - [   0.0003453000000000, -0.0017977600000000,  0.0000000000000000 ]  - [   0.0006323200000000, -0.0016903600000000,  0.0000000000000000 ]  - [   0.0003324200000000, -0.0016682700000000,  0.0000000000000000 ]  - [   0.0006572400000000, -0.0019300600000000,  0.0000000000000000 ]  - [   0.0003593400000000, -0.0018131800000000,  0.0000000000000000 ]  - [   0.0006301900000000, -0.0017122300000000,  0.0000000000000000 ]  - [   0.0063162100000000, -0.0028876300000000,  0.0000000000000000 ]  - [  -0.0010761000000000, -0.0018384800000000,  0.0000000000000000 ]  - [  -0.0003570200000000, -0.0018408900000000,  0.0000000000000000 ]  - [  -0.0006445200000000, -0.0017330900000000,  0.0000000000000000 ]  - [  -0.0003300500000000, -0.0015993100000000,  0.0000000000000000 ]  - [  -0.0006575100000000, -0.0018619800000000,  0.0000000000000000 ]  - [  -0.0003592500000000, -0.0018190900000000,  0.0000000000000000 ]  - [  -0.0006305800000000, -0.0017179300000000,  0.0000000000000000 ]  - [  -0.0004322100000000,  0.0022424100000000, -0.0003996000000000 ]  - [  -0.0006508300000000,  0.0016746000000000,  0.0000333500000000 ]  - [  -0.0003665900000000,  0.0016006600000000, -0.0000697100000000 ]  - [  -0.0006743000000000,  0.0018752500000000,  0.0000429000000000 ]  - [  -0.0004322100000000,  0.0022424100000000,  0.0003996000000000 ]  - [  -0.0006508300000000,  0.0016746000000000, -0.0000333500000000 ]  - [  -0.0003665900000000,  0.0016006600000000,  0.0000697100000000 ]  - [  -0.0006743000000000,  0.0018752500000000, -0.0000429000000000 ]  - [   0.0003391400000000,  0.0018565300000000, -0.0000336200000000 ]  - [   0.0005548500000000,  0.0012909300000000,  0.0003970400000000 ]  - [   0.0003153900000000,  0.0016550600000000, -0.0000428900000000 ]  - [   0.0006228100000000,  0.0019295800000000,  0.0000695900000000 ]  - [   0.0003391400000000,  0.0018565300000000,  0.0000336200000000 ]  - [   0.0005548500000000,  0.0012909300000000, -0.0003970400000000 ]  - [   0.0003153900000000,  0.0016550600000000,  0.0000428900000000 ]  - [   0.0006228100000000,  0.0019295800000000, -0.0000695900000000 ]  - [   0.0006547000000000, -0.0014613500000000,  0.0000000000000000 ]  - [   0.0003637700000000, -0.0017627500000000,  0.0000000000000000 ]  - [   0.0019454000000000, -0.0011038600000000,  0.0000000000000000 ]  - [   0.0002128300000000, -0.0017330600000000,  0.0000000000000000 ]  - [   0.0005079200000000, -0.0017258200000000,  0.0000000000000000 ]  - [   0.0003943200000000, -0.0017660300000000,  0.0000000000000000 ]  - [   0.0007162800000000, -0.0018845000000000,  0.0000000000000000 ]  - [   0.0002579100000000, -0.0017093200000000,  0.0000000000000000 ]  - [  -0.0006258300000000, -0.0017678900000000,  0.0000000000000000 ]  - [  -0.0003383300000000, -0.0020683900000000,  0.0000000000000000 ]  - [  -0.0007770700000000, -0.0017979900000000,  0.0000000000000000 ]  - [   0.0009511100000000, -0.0023931700000000,  0.0000000000000000 ]  - [  -0.0005951200000000, -0.0017647500000000,  0.0000000000000000 ]  - [  -0.0004853400000000, -0.0018063800000000,  0.0000000000000000 ]  - [  -0.0007321700000000, -0.0018216600000000,  0.0000000000000000 ]  - [  -0.0002745300000000, -0.0016457100000000,  0.0000000000000000 ]  - [  -0.0007670800000000,  0.0017747600000000, -0.0000039300000000 ]  - [   0.0007913600000000,  0.0017043600000000, -0.0000395100000000 ]  - [  -0.0006179600000000,  0.0017765400000000, -0.0000195200000000 ]  - [  -0.0004296300000000,  0.0017211200000000,  0.0000388300000000 ]  - [  -0.0007670800000000,  0.0017747600000000,  0.0000039300000000 ]  - [   0.0007913600000000,  0.0017043600000000,  0.0000395100000000 ]  - [  -0.0006179600000000,  0.0017765400000000,  0.0000195200000000 ]  - [  -0.0004296300000000,  0.0017211200000000, -0.0000388300000000 ]  - [   0.0017888300000000,  0.0018353500000000,  0.0000636100000000 ]  - [   0.0002229600000000,  0.0017560200000000,  0.0000038100000000 ]  - [   0.0005616500000000,  0.0018070900000000, -0.0000392400000000 ]  - [   0.0003716500000000,  0.0017541100000000,  0.0000195100000000 ]  - [   0.0017888300000000,  0.0018353500000000, -0.0000636100000000 ]  - [   0.0002229600000000,  0.0017560200000000, -0.0000038100000000 ]  - [   0.0005616500000000,  0.0018070900000000,  0.0000392400000000 ]  - [   0.0003716500000000,  0.0017541100000000, -0.0000195100000000 ]  - [   0.0043511700000000,  0.0000782100000000,  0.0000690000000000 ]  - [   0.0001262700000000,  0.0000003700000000,  0.0000001700000000 ]  - [  -0.0001884900000000,  0.0000000700000000, -0.0000005000000000 ]  - [   0.0001097800000000, -0.0000001000000000,  0.0000000400000000 ]  - [  -0.0003282300000000,  0.0000016800000000, -0.0000013500000000 ]  - [   0.0001291500000000, -0.0000000200000000,  0.0000000500000000 ]  - [  -0.0001409100000000,  0.0000000800000000, -0.0000002800000000 ]  - [   0.0000977200000000,  0.0000002800000000,  0.0000001900000000 ]  - [   0.0043511700000000,  0.0000782100000000, -0.0000690000000000 ]  - [   0.0001262700000000,  0.0000003700000000, -0.0000001700000000 ]  - [  -0.0001884900000000,  0.0000000700000000,  0.0000005000000000 ]  - [   0.0001097800000000, -0.0000001000000000, -0.0000000400000000 ]  - [  -0.0003282300000000,  0.0000016800000000,  0.0000013500000000 ]  - [   0.0001291500000000, -0.0000000200000000, -0.0000000500000000 ]  - [  -0.0001409100000000,  0.0000000800000000,  0.0000002800000000 ]  - [   0.0000977200000000,  0.0000002800000000, -0.0000001900000000 ]  - [   0.0000761500000000,  0.0000697700000000,  0.0001327100000000 ]  - [   0.0000761000000000, -0.0000697600000000, -0.0001320400000000 ]  - [   0.0002940700000000,  0.0000787400000000, -0.0001186200000000 ]  - [   0.0002948100000000, -0.0000788400000000,  0.0001186600000000 ]  - [  -0.0000312800000000, -0.0000234300000000, -0.0000078800000000 ]  - [  -0.0000305100000000,  0.0000228600000000,  0.0000074800000000 ]  - [   0.0001477900000000, -0.0002028600000000, -0.0000789100000000 ]  - [   0.0001473600000000,  0.0002019500000000,  0.0000790100000000 ]  - [   0.0000761500000000,  0.0000697700000000, -0.0001327100000000 ]  - [   0.0000761000000000, -0.0000697600000000,  0.0001320400000000 ]  - [   0.0002940700000000,  0.0000787400000000,  0.0001186200000000 ]  - [   0.0002948100000000, -0.0000788400000000, -0.0001186600000000 ]  - [  -0.0000312800000000, -0.0000234300000000,  0.0000078800000000 ]  - [  -0.0000305100000000,  0.0000228600000000, -0.0000074800000000 ]  - [   0.0001477900000000, -0.0002028600000000,  0.0000789100000000 ]  - [   0.0001473600000000,  0.0002019500000000, -0.0000790100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0831274900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0032956800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0044607800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0035638200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0017732700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0033558500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0053300900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0035519900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010173500000000, -0.0042619600000000 ]  - [   0.0000000000000000, -0.0035111500000000,  0.0000046800000000 ]  - [   0.0000000000000000, -0.0017592500000000,  0.0015667700000000 ]  - [   0.0000000000000000, -0.0033716800000000,  0.0000502000000000 ]  - [   0.0000000000000000,  0.0010173500000000,  0.0042619600000000 ]  - [   0.0000000000000000, -0.0035111500000000, -0.0000046800000000 ]  - [   0.0000000000000000, -0.0017592500000000, -0.0015667700000000 ]  - [   0.0000000000000000, -0.0033716800000000, -0.0000502000000000 ]  - [  -0.0003821900000000,  0.0035791000000000,  0.0000000000000000 ]  - [   0.0003821900000000,  0.0035791000000000,  0.0000000000000000 ]  - [   0.0007897800000000,  0.0035787300000000,  0.0000000000000000 ]  - [  -0.0007897800000000,  0.0035787300000000,  0.0000000000000000 ]  - [  -0.0003946900000000,  0.0034596500000000,  0.0000000000000000 ]  - [   0.0003946900000000,  0.0034596500000000,  0.0000000000000000 ]  - [   0.0001178300000000,  0.0034587900000000,  0.0000000000000000 ]  - [  -0.0001178300000000,  0.0034587900000000,  0.0000000000000000 ]  - [   0.0001029200000000, -0.0039409300000000,  0.0000563600000000 ]  - [  -0.0001029200000000, -0.0039409300000000,  0.0000563600000000 ]  - [  -0.0000207600000000, -0.0030972800000000,  0.0000094400000000 ]  - [   0.0000207600000000, -0.0030972800000000,  0.0000094400000000 ]  - [   0.0001029200000000, -0.0039409300000000, -0.0000563600000000 ]  - [  -0.0001029200000000, -0.0039409300000000, -0.0000563600000000 ]  - [  -0.0000207600000000, -0.0030972800000000, -0.0000094400000000 ]  - [   0.0000207600000000, -0.0030972800000000, -0.0000094400000000 ]  - [   0.0005393800000000, -0.0016265200000000,  0.0000000000000000 ]  - [   0.0032151700000000, -0.0001899700000000,  0.0000000000000000 ]  - [   0.0005046800000000, -0.0019205200000000,  0.0000000000000000 ]  - [   0.0006480900000000, -0.0020599600000000,  0.0000000000000000 ]  - [   0.0004910700000000, -0.0016768800000000,  0.0000000000000000 ]  - [   0.0001920100000000, -0.0014519400000000,  0.0000000000000000 ]  - [   0.0005266800000000, -0.0018529200000000,  0.0000000000000000 ]  - [   0.0006666400000000, -0.0019534200000000,  0.0000000000000000 ]  - [  -0.0032151700000000, -0.0001899700000000,  0.0000000000000000 ]  - [  -0.0005393800000000, -0.0016265200000000,  0.0000000000000000 ]  - [  -0.0006480900000000, -0.0020599600000000,  0.0000000000000000 ]  - [  -0.0005046800000000, -0.0019205200000000,  0.0000000000000000 ]  - [  -0.0001920100000000, -0.0014519400000000,  0.0000000000000000 ]  - [  -0.0004910700000000, -0.0016768800000000,  0.0000000000000000 ]  - [  -0.0006666400000000, -0.0019534200000000,  0.0000000000000000 ]  - [  -0.0005266800000000, -0.0018529200000000,  0.0000000000000000 ]  - [   0.0002285400000000,  0.0017912500000000,  0.0001611000000000 ]  - [  -0.0005603600000000,  0.0018494200000000,  0.0000060500000000 ]  - [  -0.0007220500000000,  0.0015599400000000, -0.0001758800000000 ]  - [  -0.0004596500000000,  0.0016804700000000, -0.0000753200000000 ]  - [   0.0002285400000000,  0.0017912500000000, -0.0001611000000000 ]  - [  -0.0005603600000000,  0.0018494200000000, -0.0000060500000000 ]  - [  -0.0007220500000000,  0.0015599400000000,  0.0001758800000000 ]  - [  -0.0004596500000000,  0.0016804700000000,  0.0000753200000000 ]  - [   0.0005603600000000,  0.0018494200000000,  0.0000060500000000 ]  - [  -0.0002285400000000,  0.0017912500000000,  0.0001611000000000 ]  - [   0.0004596500000000,  0.0016804700000000, -0.0000753200000000 ]  - [   0.0007220500000000,  0.0015599400000000, -0.0001758800000000 ]  - [   0.0005603600000000,  0.0018494200000000, -0.0000060500000000 ]  - [  -0.0002285400000000,  0.0017912500000000, -0.0001611000000000 ]  - [   0.0004596500000000,  0.0016804700000000,  0.0000753200000000 ]  - [   0.0007220500000000,  0.0015599400000000,  0.0001758800000000 ]  - [   0.0008384900000000, -0.0024633500000000,  0.0000000000000000 ]  - [   0.0004408900000000, -0.0017668100000000,  0.0000000000000000 ]  - [   0.0014398100000000,  0.0010257000000000,  0.0000000000000000 ]  - [   0.0005856700000000, -0.0017496200000000,  0.0000000000000000 ]  - [   0.0009661600000000, -0.0019655200000000,  0.0000000000000000 ]  - [   0.0004405300000000, -0.0017660500000000,  0.0000000000000000 ]  - [   0.0004907200000000, -0.0016148500000000,  0.0000000000000000 ]  - [   0.0005279600000000, -0.0017683200000000,  0.0000000000000000 ]  - [  -0.0004408900000000, -0.0017668100000000,  0.0000000000000000 ]  - [  -0.0008384900000000, -0.0024633500000000,  0.0000000000000000 ]  - [  -0.0005856700000000, -0.0017496200000000,  0.0000000000000000 ]  - [  -0.0014398100000000,  0.0010257000000000,  0.0000000000000000 ]  - [  -0.0004405300000000, -0.0017660500000000,  0.0000000000000000 ]  - [  -0.0009661600000000, -0.0019655200000000,  0.0000000000000000 ]  - [  -0.0005279600000000, -0.0017683200000000,  0.0000000000000000 ]  - [  -0.0004907200000000, -0.0016148500000000,  0.0000000000000000 ]  - [  -0.0005717900000000,  0.0018014200000000, -0.0000226100000000 ]  - [  -0.0004113600000000,  0.0029854300000000, -0.0003623600000000 ]  - [  -0.0004237300000000,  0.0017229200000000, -0.0000028900000000 ]  - [  -0.0006118300000000,  0.0011663900000000, -0.0000831200000000 ]  - [  -0.0005717900000000,  0.0018014200000000,  0.0000226100000000 ]  - [  -0.0004113600000000,  0.0029854300000000,  0.0003623600000000 ]  - [  -0.0004237300000000,  0.0017229200000000,  0.0000028900000000 ]  - [  -0.0006118300000000,  0.0011663900000000,  0.0000831200000000 ]  - [   0.0004113600000000,  0.0029854300000000, -0.0003623600000000 ]  - [   0.0005717900000000,  0.0018014200000000, -0.0000226100000000 ]  - [   0.0006118300000000,  0.0011663900000000, -0.0000831200000000 ]  - [   0.0004237300000000,  0.0017229200000000, -0.0000028900000000 ]  - [   0.0004113600000000,  0.0029854300000000,  0.0003623600000000 ]  - [   0.0005717900000000,  0.0018014200000000,  0.0000226100000000 ]  - [   0.0006118300000000,  0.0011663900000000,  0.0000831200000000 ]  - [   0.0004237300000000,  0.0017229200000000,  0.0000028900000000 ]  - [   0.0000000000000000,  0.0321530700000000,  0.0253472700000000 ]  - [   0.0000000000000000,  0.0000211100000000,  0.0000375100000000 ]  - [   0.0000000000000000, -0.0000671000000000, -0.0004151100000000 ]  - [   0.0000000000000000, -0.0000086600000000, -0.0000345300000000 ]  - [   0.0000000000000000,  0.0005091600000000, -0.0000187400000000 ]  - [   0.0000000000000000,  0.0000155600000000,  0.0000283400000000 ]  - [   0.0000000000000000, -0.0004106400000000, -0.0003281400000000 ]  - [   0.0000000000000000, -0.0000286300000000, -0.0000314200000000 ]  - [   0.0000000000000000,  0.0321530700000000, -0.0253472700000000 ]  - [   0.0000000000000000,  0.0000211100000000, -0.0000375100000000 ]  - [   0.0000000000000000, -0.0000671000000000,  0.0004151100000000 ]  - [   0.0000000000000000, -0.0000086600000000,  0.0000345300000000 ]  - [   0.0000000000000000,  0.0005091600000000,  0.0000187400000000 ]  - [   0.0000000000000000,  0.0000155600000000, -0.0000283400000000 ]  - [   0.0000000000000000, -0.0004106400000000,  0.0003281400000000 ]  - [   0.0000000000000000, -0.0000286300000000,  0.0000314200000000 ]  - [  -0.0000774600000000, -0.0000685500000000, -0.0000876100000000 ]  - [   0.0000774600000000, -0.0000685500000000, -0.0000876100000000 ]  - [   0.0002922900000000,  0.0001263500000000,  0.0000761700000000 ]  - [  -0.0002922900000000,  0.0001263500000000,  0.0000761700000000 ]  - [  -0.0000956700000000, -0.0000427300000000, -0.0000649300000000 ]  - [   0.0000956700000000, -0.0000427300000000, -0.0000649300000000 ]  - [   0.0000144400000000, -0.0000023300000000,  0.0000040600000000 ]  - [  -0.0000144400000000, -0.0000023300000000,  0.0000040600000000 ]  - [  -0.0000774600000000, -0.0000685500000000,  0.0000876100000000 ]  - [   0.0000774600000000, -0.0000685500000000,  0.0000876100000000 ]  - [   0.0002922900000000,  0.0001263500000000, -0.0000761700000000 ]  - [  -0.0002922900000000,  0.0001263500000000, -0.0000761700000000 ]  - [  -0.0000956700000000, -0.0000427300000000,  0.0000649300000000 ]  - [   0.0000956700000000, -0.0000427300000000,  0.0000649300000000 ]  - [   0.0000144400000000, -0.0000023300000000, -0.0000040600000000 ]  - [  -0.0000144400000000, -0.0000023300000000, -0.0000040600000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0919162200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0035866700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0024281400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0033187100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0051016700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0035260500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0015601200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0033308200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0079579500000000,  0.0043405200000000 ]  - [   0.0000000000000000, -0.0033713100000000, -0.0000045800000000 ]  - [   0.0000000000000000, -0.0051181300000000, -0.0015595900000000 ]  - [   0.0000000000000000, -0.0035113500000000, -0.0000498400000000 ]  - [   0.0000000000000000, -0.0079579500000000, -0.0043405200000000 ]  - [   0.0000000000000000, -0.0033713100000000,  0.0000045800000000 ]  - [   0.0000000000000000, -0.0051181300000000,  0.0015595900000000 ]  - [   0.0000000000000000, -0.0035113500000000,  0.0000498400000000 ]  - [   0.0003815700000000,  0.0033038400000000,  0.0000000000000000 ]  - [  -0.0003815700000000,  0.0033038400000000,  0.0000000000000000 ]  - [  -0.0007839300000000,  0.0033034100000000,  0.0000000000000000 ]  - [   0.0007839300000000,  0.0033034100000000,  0.0000000000000000 ]  - [   0.0003940200000000,  0.0034231700000000,  0.0000000000000000 ]  - [  -0.0003940200000000,  0.0034231700000000,  0.0000000000000000 ]  - [  -0.0001169500000000,  0.0034223800000000,  0.0000000000000000 ]  - [   0.0001169500000000,  0.0034223800000000,  0.0000000000000000 ]  - [  -0.0001041600000000, -0.0029441400000000, -0.0000566200000000 ]  - [   0.0001041600000000, -0.0029441400000000, -0.0000566200000000 ]  - [   0.0000210700000000, -0.0037842100000000, -0.0000093600000000 ]  - [  -0.0000210700000000, -0.0037842100000000, -0.0000093600000000 ]  - [  -0.0001041600000000, -0.0029441400000000,  0.0000566200000000 ]  - [   0.0001041600000000, -0.0029441400000000,  0.0000566200000000 ]  - [   0.0000210700000000, -0.0037842100000000,  0.0000093600000000 ]  - [  -0.0000210700000000, -0.0037842100000000,  0.0000093600000000 ]  - [   0.0004510500000000, -0.0019037200000000,  0.0000000000000000 ]  - [  -0.0022381000000000, -0.0033270800000000,  0.0000000000000000 ]  - [   0.0004850700000000, -0.0016107200000000,  0.0000000000000000 ]  - [   0.0003428600000000, -0.0014725300000000,  0.0000000000000000 ]  - [   0.0004989100000000, -0.0018537200000000,  0.0000000000000000 ]  - [   0.0007956300000000, -0.0020779100000000,  0.0000000000000000 ]  - [   0.0004632400000000, -0.0016779400000000,  0.0000000000000000 ]  - [   0.0003245300000000, -0.0015778400000000,  0.0000000000000000 ]  - [   0.0022381000000000, -0.0033270800000000,  0.0000000000000000 ]  - [  -0.0004510500000000, -0.0019037200000000,  0.0000000000000000 ]  - [  -0.0003428600000000, -0.0014725300000000,  0.0000000000000000 ]  - [  -0.0004850700000000, -0.0016107200000000,  0.0000000000000000 ]  - [  -0.0007956300000000, -0.0020779100000000,  0.0000000000000000 ]  - [  -0.0004989100000000, -0.0018537200000000,  0.0000000000000000 ]  - [  -0.0003245300000000, -0.0015778400000000,  0.0000000000000000 ]  - [  -0.0004632400000000, -0.0016779400000000,  0.0000000000000000 ]  - [  -0.0012164500000000,  0.0017384400000000, -0.0001614600000000 ]  - [  -0.0004295900000000,  0.0016809200000000, -0.0000059900000000 ]  - [  -0.0002696300000000,  0.0019695700000000,  0.0001742900000000 ]  - [  -0.0005300200000000,  0.0018498300000000,  0.0000749400000000 ]  - [  -0.0012164500000000,  0.0017384400000000,  0.0001614600000000 ]  - [  -0.0004295900000000,  0.0016809200000000,  0.0000059900000000 ]  - [  -0.0002696300000000,  0.0019695700000000, -0.0001742900000000 ]  - [  -0.0005300200000000,  0.0018498300000000, -0.0000749400000000 ]  - [   0.0004295900000000,  0.0016809200000000, -0.0000059900000000 ]  - [   0.0012164500000000,  0.0017384400000000, -0.0001614600000000 ]  - [   0.0005300200000000,  0.0018498300000000,  0.0000749400000000 ]  - [   0.0002696300000000,  0.0019695700000000,  0.0001742900000000 ]  - [   0.0004295900000000,  0.0016809200000000,  0.0000059900000000 ]  - [   0.0012164500000000,  0.0017384400000000,  0.0001614600000000 ]  - [   0.0005300200000000,  0.0018498300000000, -0.0000749400000000 ]  - [   0.0002696300000000,  0.0019695700000000, -0.0001742900000000 ]  - [   0.0001540900000000, -0.0010690400000000,  0.0000000000000000 ]  - [   0.0005488600000000, -0.0017640000000000,  0.0000000000000000 ]  - [  -0.0003680300000000, -0.0044133700000000,  0.0000000000000000 ]  - [   0.0004041600000000, -0.0017809300000000,  0.0000000000000000 ]  - [   0.0000259600000000, -0.0015688900000000,  0.0000000000000000 ]  - [   0.0005491700000000, -0.0017648200000000,  0.0000000000000000 ]  - [   0.0004987200000000, -0.0019136700000000,  0.0000000000000000 ]  - [   0.0004617600000000, -0.0017621600000000,  0.0000000000000000 ]  - [  -0.0005488600000000, -0.0017640000000000,  0.0000000000000000 ]  - [  -0.0001540900000000, -0.0010690400000000,  0.0000000000000000 ]  - [  -0.0004041600000000, -0.0017809300000000,  0.0000000000000000 ]  - [   0.0003680300000000, -0.0044133700000000,  0.0000000000000000 ]  - [  -0.0005491700000000, -0.0017648200000000,  0.0000000000000000 ]  - [  -0.0000259600000000, -0.0015688900000000,  0.0000000000000000 ]  - [  -0.0004617600000000, -0.0017621600000000,  0.0000000000000000 ]  - [  -0.0004987200000000, -0.0019136700000000,  0.0000000000000000 ]  - [  -0.0004180900000000,  0.0017291800000000,  0.0000224100000000 ]  - [  -0.0005806300000000,  0.0005510700000000,  0.0003673200000000 ]  - [  -0.0005659500000000,  0.0018072000000000,  0.0000029500000000 ]  - [  -0.0003780000000000,  0.0023620200000000,  0.0000834800000000 ]  - [  -0.0004180900000000,  0.0017291800000000, -0.0000224100000000 ]  - [  -0.0005806300000000,  0.0005510700000000, -0.0003673200000000 ]  - [  -0.0005659500000000,  0.0018072000000000, -0.0000029500000000 ]  - [  -0.0003780000000000,  0.0023620200000000, -0.0000834800000000 ]  - [   0.0005806300000000,  0.0005510700000000,  0.0003673200000000 ]  - [   0.0004180900000000,  0.0017291800000000,  0.0000224100000000 ]  - [   0.0003780000000000,  0.0023620200000000,  0.0000834800000000 ]  - [   0.0005659500000000,  0.0018072000000000,  0.0000029500000000 ]  - [   0.0005806300000000,  0.0005510700000000, -0.0003673200000000 ]  - [   0.0004180900000000,  0.0017291800000000, -0.0000224100000000 ]  - [   0.0003780000000000,  0.0023620200000000, -0.0000834800000000 ]  - [   0.0005659500000000,  0.0018072000000000, -0.0000029500000000 ]  - [   0.0000000000000000, -0.0332052800000000, -0.0263610900000000 ]  - [   0.0000000000000000, -0.0000203400000000, -0.0000371700000000 ]  - [   0.0000000000000000,  0.0000669300000000,  0.0004131900000000 ]  - [   0.0000000000000000,  0.0000086300000000,  0.0000347900000000 ]  - [   0.0000000000000000, -0.0005073200000000,  0.0000212000000000 ]  - [   0.0000000000000000, -0.0000156500000000, -0.0000282300000000 ]  - [   0.0000000000000000,  0.0004099900000000,  0.0003281400000000 ]  - [   0.0000000000000000,  0.0000291200000000,  0.0000319800000000 ]  - [   0.0000000000000000, -0.0332052800000000,  0.0263610900000000 ]  - [   0.0000000000000000, -0.0000203400000000,  0.0000371700000000 ]  - [   0.0000000000000000,  0.0000669300000000, -0.0004131900000000 ]  - [   0.0000000000000000,  0.0000086300000000, -0.0000347900000000 ]  - [   0.0000000000000000, -0.0005073200000000, -0.0000212000000000 ]  - [   0.0000000000000000, -0.0000156500000000,  0.0000282300000000 ]  - [   0.0000000000000000,  0.0004099900000000, -0.0003281400000000 ]  - [   0.0000000000000000,  0.0000291200000000, -0.0000319800000000 ]  - [   0.0000768200000000,  0.0000682900000000,  0.0000873500000000 ]  - [  -0.0000768200000000,  0.0000682900000000,  0.0000873500000000 ]  - [  -0.0002924500000000, -0.0001259500000000, -0.0000751700000000 ]  - [   0.0002924500000000, -0.0001259500000000, -0.0000751700000000 ]  - [   0.0000954300000000,  0.0000421100000000,  0.0000645400000000 ]  - [  -0.0000954300000000,  0.0000421100000000,  0.0000645400000000 ]  - [  -0.0000146500000000,  0.0000026500000000, -0.0000036100000000 ]  - [   0.0000146500000000,  0.0000026500000000, -0.0000036100000000 ]  - [   0.0000768200000000,  0.0000682900000000, -0.0000873500000000 ]  - [  -0.0000768200000000,  0.0000682900000000, -0.0000873500000000 ]  - [  -0.0002924500000000, -0.0001259500000000,  0.0000751700000000 ]  - [   0.0002924500000000, -0.0001259500000000,  0.0000751700000000 ]  - [   0.0000954300000000,  0.0000421100000000, -0.0000645400000000 ]  - [  -0.0000954300000000,  0.0000421100000000, -0.0000645400000000 ]  - [  -0.0000146500000000,  0.0000026500000000,  0.0000036100000000 ]  - [   0.0000146500000000,  0.0000026500000000,  0.0000036100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0041894800000000, -0.0581231400000000 ]  - [   0.0000000000000000,  0.0034414900000000, -0.0001135800000000 ]  - [   0.0000000000000000,  0.0034419500000000, -0.0005999100000000 ]  - [   0.0000000000000000,  0.0034411700000000, -0.0000375600000000 ]  - [   0.0000000000000000,  0.0034379100000000,  0.0017134100000000 ]  - [   0.0000000000000000,  0.0034411700000000,  0.0001182200000000 ]  - [   0.0000000000000000,  0.0034422000000000,  0.0011909600000000 ]  - [   0.0000000000000000,  0.0034415400000000,  0.0000386800000000 ]  - [   0.0000000000000000, -0.0077694100000000,  0.0014653800000000 ]  - [   0.0000000000000000, -0.0034366800000000,  0.0000034100000000 ]  - [   0.0000000000000000, -0.0018761800000000,  0.0004052100000000 ]  - [   0.0000000000000000, -0.0033913000000000,  0.0000003900000000 ]  - [   0.0000000000000000,  0.0008324800000000,  0.0014501800000000 ]  - [   0.0000000000000000, -0.0034459900000000,  0.0000036700000000 ]  - [   0.0000000000000000, -0.0050028400000000,  0.0004084700000000 ]  - [   0.0000000000000000, -0.0034914200000000,  0.0000005100000000 ]  - [  -0.0000004700000000,  0.0034422000000000, -0.0002360300000000 ]  - [   0.0000004700000000,  0.0034422000000000, -0.0002360300000000 ]  - [  -0.0000011800000000,  0.0034414100000000, -0.0002360800000000 ]  - [   0.0000011800000000,  0.0034414100000000, -0.0002360800000000 ]  - [  -0.0000001900000000,  0.0034410500000000,  0.0002266400000000 ]  - [   0.0000001900000000,  0.0034410500000000,  0.0002266400000000 ]  - [   0.0000001900000000,  0.0034413500000000,  0.0002266900000000 ]  - [  -0.0000001900000000,  0.0034413500000000,  0.0002266900000000 ]  - [   0.0007215700000000, -0.0033853900000000,  0.0001241200000000 ]  - [  -0.0007215700000000, -0.0033853900000000,  0.0001241200000000 ]  - [   0.0001211300000000, -0.0034319800000000,  0.0000122500000000 ]  - [  -0.0001211300000000, -0.0034319800000000,  0.0000122500000000 ]  - [  -0.0007181500000000, -0.0034985600000000,  0.0001259800000000 ]  - [   0.0007181500000000, -0.0034985600000000,  0.0001259800000000 ]  - [  -0.0001206400000000, -0.0034506600000000,  0.0000125500000000 ]  - [   0.0001206400000000, -0.0034506600000000,  0.0000125500000000 ]  - [   0.0004936900000000, -0.0017653100000000,  0.0001282200000000 ]  - [   0.0005019600000000, -0.0017629700000000,  0.0008949500000000 ]  - [   0.0004930600000000, -0.0017654500000000,  0.0000256100000000 ]  - [   0.0004931800000000, -0.0017652700000000,  0.0000743500000000 ]  - [   0.0004930000000000, -0.0017652900000000, -0.0001312400000000 ]  - [   0.0004934900000000, -0.0017644900000000, -0.0003842300000000 ]  - [   0.0004931400000000, -0.0017654300000000, -0.0000251600000000 ]  - [   0.0004932700000000, -0.0017654700000000, -0.0000837400000000 ]  - [  -0.0005019600000000, -0.0017629700000000,  0.0008949500000000 ]  - [  -0.0004936900000000, -0.0017653100000000,  0.0001282200000000 ]  - [  -0.0004931800000000, -0.0017652700000000,  0.0000743500000000 ]  - [  -0.0004930600000000, -0.0017654500000000,  0.0000256100000000 ]  - [  -0.0004934900000000, -0.0017644900000000, -0.0003842300000000 ]  - [  -0.0004930000000000, -0.0017652900000000, -0.0001312400000000 ]  - [  -0.0004932700000000, -0.0017654700000000, -0.0000837400000000 ]  - [  -0.0004931400000000, -0.0017654300000000, -0.0000251600000000 ]  - [  -0.0010605000000000,  0.0020093700000000, -0.0002085700000000 ]  - [  -0.0004369500000000,  0.0018217900000000, -0.0000011900000000 ]  - [  -0.0005744900000000,  0.0016703000000000,  0.0000047500000000 ]  - [  -0.0004745500000000,  0.0017302200000000, -0.0000024600000000 ]  - [   0.0000742200000000,  0.0015224000000000, -0.0002088700000000 ]  - [  -0.0005493400000000,  0.0017092200000000, -0.0000012000000000 ]  - [  -0.0004117800000000,  0.0018599800000000,  0.0000041600000000 ]  - [  -0.0005115100000000,  0.0018003900000000, -0.0000026800000000 ]  - [   0.0004369500000000,  0.0018217900000000, -0.0000011900000000 ]  - [   0.0010605000000000,  0.0020093700000000, -0.0002085700000000 ]  - [   0.0004745500000000,  0.0017302200000000, -0.0000024600000000 ]  - [   0.0005744900000000,  0.0016703000000000,  0.0000047500000000 ]  - [   0.0005493400000000,  0.0017092200000000, -0.0000012000000000 ]  - [  -0.0000742200000000,  0.0015224000000000, -0.0002088700000000 ]  - [   0.0005115100000000,  0.0018003900000000, -0.0000026800000000 ]  - [   0.0004117800000000,  0.0018599800000000,  0.0000041600000000 ]  - [   0.0004936100000000, -0.0017669500000000,  0.0007061200000000 ]  - [   0.0004930800000000, -0.0017652900000000,  0.0000169700000000 ]  - [   0.0004885400000000, -0.0017744100000000,  0.0010248700000000 ]  - [   0.0004930400000000, -0.0017656000000000,  0.0000498300000000 ]  - [   0.0004925000000000, -0.0017653300000000, -0.0007527400000000 ]  - [   0.0004930000000000, -0.0017654300000000, -0.0000170100000000 ]  - [   0.0004933100000000, -0.0017665700000000, -0.0003782700000000 ]  - [   0.0004932100000000, -0.0017654500000000, -0.0000462400000000 ]  - [  -0.0004930800000000, -0.0017652900000000,  0.0000169700000000 ]  - [  -0.0004936100000000, -0.0017669500000000,  0.0007061200000000 ]  - [  -0.0004930400000000, -0.0017656000000000,  0.0000498300000000 ]  - [  -0.0004885400000000, -0.0017744100000000,  0.0010248700000000 ]  - [  -0.0004930000000000, -0.0017654300000000, -0.0000170100000000 ]  - [  -0.0004925000000000, -0.0017653300000000, -0.0007527400000000 ]  - [  -0.0004932100000000, -0.0017654500000000, -0.0000462400000000 ]  - [  -0.0004933100000000, -0.0017665700000000, -0.0003782700000000 ]  - [  -0.0005339900000000,  0.0017515900000000,  0.0000001100000000 ]  - [  -0.0011400000000000,  0.0023291500000000,  0.0017101700000000 ]  - [  -0.0004992600000000,  0.0017630500000000, -0.0000005300000000 ]  - [  -0.0002807200000000,  0.0019256400000000,  0.0000167000000000 ]  - [  -0.0004521500000000,  0.0017790800000000,  0.0000001800000000 ]  - [   0.0000968800000000,  0.0012367700000000,  0.0016092300000000 ]  - [  -0.0004867100000000,  0.0017676300000000, -0.0000007800000000 ]  - [  -0.0007056600000000,  0.0016036000000000,  0.0000167400000000 ]  - [   0.0011400000000000,  0.0023291500000000,  0.0017101700000000 ]  - [   0.0005339900000000,  0.0017515900000000,  0.0000001100000000 ]  - [   0.0002807200000000,  0.0019256400000000,  0.0000167000000000 ]  - [   0.0004992600000000,  0.0017630500000000, -0.0000005300000000 ]  - [  -0.0000968800000000,  0.0012367700000000,  0.0016092300000000 ]  - [   0.0004521500000000,  0.0017790800000000,  0.0000001800000000 ]  - [   0.0007056600000000,  0.0016036000000000,  0.0000167400000000 ]  - [   0.0004867100000000,  0.0017676300000000, -0.0000007800000000 ]  - [   0.0000000000000000,  0.0217140400000000,  0.0208201400000000 ]  - [   0.0000000000000000,  0.0000228600000000, -0.0000003500000000 ]  - [   0.0000000000000000,  0.0002290500000000,  0.0002034900000000 ]  - [   0.0000000000000000,  0.0000113400000000,  0.0000101900000000 ]  - [   0.0000000000000000, -0.0010772400000000,  0.0007435300000000 ]  - [   0.0000000000000000, -0.0000235100000000,  0.0000002900000000 ]  - [   0.0000000000000000, -0.0002663300000000, -0.0001844100000000 ]  - [   0.0000000000000000, -0.0000117500000000, -0.0000102200000000 ]  - [   0.0000000000000000, -0.0224631800000000,  0.0211533900000000 ]  - [   0.0000000000000000, -0.0000230400000000, -0.0000002700000000 ]  - [   0.0000000000000000, -0.0002295000000000,  0.0002037400000000 ]  - [   0.0000000000000000, -0.0000113400000000,  0.0000100600000000 ]  - [   0.0000000000000000,  0.0010811800000000,  0.0007386100000000 ]  - [   0.0000000000000000,  0.0000229800000000,  0.0000005900000000 ]  - [   0.0000000000000000,  0.0002675600000000, -0.0001839400000000 ]  - [   0.0000000000000000,  0.0000121400000000, -0.0000102800000000 ]  - [  -0.0000138600000000,  0.0000342600000000,  0.0000056700000000 ]  - [   0.0000138600000000,  0.0000342600000000,  0.0000056700000000 ]  - [  -0.0001498800000000,  0.0001248900000000,  0.0001018100000000 ]  - [   0.0001498800000000,  0.0001248900000000,  0.0001018100000000 ]  - [   0.0000339800000000, -0.0000459800000000, -0.0000045800000000 ]  - [  -0.0000339800000000, -0.0000459800000000, -0.0000045800000000 ]  - [   0.0001255000000000, -0.0001337600000000, -0.0001045800000000 ]  - [  -0.0001255000000000, -0.0001337600000000, -0.0001045800000000 ]  - [   0.0000135500000000, -0.0000341900000000,  0.0000058400000000 ]  - [  -0.0000135500000000, -0.0000341900000000,  0.0000058400000000 ]  - [   0.0001488600000000, -0.0001256900000000,  0.0001016300000000 ]  - [  -0.0001488600000000, -0.0001256900000000,  0.0001016300000000 ]  - [  -0.0000342000000000,  0.0000460400000000, -0.0000047100000000 ]  - [   0.0000342000000000,  0.0000460400000000, -0.0000047100000000 ]  - [  -0.0001250400000000,  0.0001341000000000, -0.0001047000000000 ]  - [   0.0001250400000000,  0.0001341000000000, -0.0001047000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005809600000000,  0.0034869100000000,  0.0000000000000000 ]  - [   0.0068124700000000,  0.0062171700000000,  0.0000000000000000 ]  - [  -0.0001503500000000,  0.0034528800000000,  0.0000000000000000 ]  - [   0.0001377500000000,  0.0035968500000000,  0.0000000000000000 ]  - [  -0.0001635100000000,  0.0034389100000000,  0.0000000000000000 ]  - [   0.0001635000000000,  0.0031408700000000,  0.0000000000000000 ]  - [  -0.0001360900000000,  0.0034748200000000,  0.0000000000000000 ]  - [   0.0001359100000000,  0.0036160800000000,  0.0000000000000000 ]  - [  -0.0001563300000000, -0.0035084300000000,  0.0000560800000000 ]  - [   0.0000615200000000, -0.0027192500000000, -0.0005690500000000 ]  - [  -0.0001799000000000, -0.0034082700000000,  0.0000185200000000 ]  - [   0.0001280700000000, -0.0036705400000000, -0.0000812900000000 ]  - [  -0.0001563300000000, -0.0035084300000000, -0.0000560800000000 ]  - [   0.0000615200000000, -0.0027192500000000,  0.0005690500000000 ]  - [  -0.0001799000000000, -0.0034082700000000, -0.0000185200000000 ]  - [   0.0001280700000000, -0.0036705400000000,  0.0000812900000000 ]  - [   0.0014412000000000,  0.0043247000000000,  0.0000000000000000 ]  - [  -0.0002827200000000,  0.0035349600000000,  0.0000000000000000 ]  - [   0.0001578700000000,  0.0037863700000000,  0.0000000000000000 ]  - [  -0.0001311000000000,  0.0033905100000000,  0.0000000000000000 ]  - [   0.0002206900000000,  0.0034389700000000,  0.0000000000000000 ]  - [  -0.0002375800000000,  0.0034772100000000,  0.0000000000000000 ]  - [   0.0000125700000000,  0.0039153800000000,  0.0000000000000000 ]  - [  -0.0001008800000000,  0.0033897900000000,  0.0000000000000000 ]  - [   0.0012838000000000, -0.0033531900000000, -0.0006033600000000 ]  - [  -0.0002722300000000, -0.0035213700000000, -0.0000408200000000 ]  - [   0.0000666900000000, -0.0035613800000000,  0.0002133100000000 ]  - [  -0.0001236900000000, -0.0033726600000000, -0.0000061100000000 ]  - [   0.0012838000000000, -0.0033531900000000,  0.0006033600000000 ]  - [  -0.0002722300000000, -0.0035213700000000,  0.0000408200000000 ]  - [   0.0000666900000000, -0.0035613800000000, -0.0002133100000000 ]  - [  -0.0001236900000000, -0.0033726600000000,  0.0000061100000000 ]  - [  -0.0213382900000000, -0.0030885800000000,  0.0000000000000000 ]  - [   0.0006602200000000, -0.0017567400000000,  0.0000000000000000 ]  - [   0.0002168700000000, -0.0017451500000000,  0.0000000000000000 ]  - [   0.0006084400000000, -0.0017881300000000,  0.0000000000000000 ]  - [   0.0000871400000000, -0.0016562500000000,  0.0000000000000000 ]  - [   0.0006181100000000, -0.0017696400000000,  0.0000000000000000 ]  - [   0.0002350300000000, -0.0018268600000000,  0.0000000000000000 ]  - [   0.0006113800000000, -0.0017832600000000,  0.0000000000000000 ]  - [   0.0070864200000000, -0.0019139400000000,  0.0000000000000000 ]  - [  -0.0001436300000000, -0.0016273200000000,  0.0000000000000000 ]  - [  -0.0003566800000000, -0.0017593800000000,  0.0000000000000000 ]  - [  -0.0004578700000000, -0.0017839800000000,  0.0000000000000000 ]  - [  -0.0003338500000000, -0.0016872100000000,  0.0000000000000000 ]  - [  -0.0003227900000000, -0.0017200700000000,  0.0000000000000000 ]  - [  -0.0003978400000000, -0.0018269300000000,  0.0000000000000000 ]  - [  -0.0004504300000000, -0.0017831900000000,  0.0000000000000000 ]  - [  -0.0002281000000000,  0.0019903000000000, -0.0003324800000000 ]  - [  -0.0001260900000000,  0.0016933400000000,  0.0001046300000000 ]  - [  -0.0003248700000000,  0.0016542500000000, -0.0000242300000000 ]  - [  -0.0004551900000000,  0.0017729900000000, -0.0000018200000000 ]  - [  -0.0002281000000000,  0.0019903000000000,  0.0003324800000000 ]  - [  -0.0001260900000000,  0.0016933400000000, -0.0001046300000000 ]  - [  -0.0003248700000000,  0.0016542500000000,  0.0000242300000000 ]  - [  -0.0004551900000000,  0.0017729900000000,  0.0000018200000000 ]  - [  -0.0007795400000000,  0.0016627900000000,  0.0001541000000000 ]  - [   0.0006457700000000,  0.0017792200000000, -0.0000054500000000 ]  - [   0.0001702000000000,  0.0016692000000000, -0.0000116100000000 ]  - [   0.0006075800000000,  0.0017737700000000, -0.0000013700000000 ]  - [  -0.0007795400000000,  0.0016627900000000, -0.0001541000000000 ]  - [   0.0006457700000000,  0.0017792200000000,  0.0000054500000000 ]  - [   0.0001702000000000,  0.0016692000000000,  0.0000116100000000 ]  - [   0.0006075800000000,  0.0017737700000000,  0.0000013700000000 ]  - [   0.0006669400000000, -0.0016922900000000,  0.0000000000000000 ]  - [   0.0006681400000000, -0.0020885800000000,  0.0000000000000000 ]  - [   0.0006679800000000, -0.0018383000000000,  0.0000000000000000 ]  - [   0.0006675600000000, -0.0016022200000000,  0.0000000000000000 ]  - [   0.0005416200000000, -0.0017659100000000,  0.0000000000000000 ]  - [   0.0006460900000000, -0.0018462300000000,  0.0000000000000000 ]  - [   0.0006461700000000, -0.0017741200000000,  0.0000000000000000 ]  - [   0.0005416300000000, -0.0017028000000000,  0.0000000000000000 ]  - [  -0.0007329300000000, -0.0029995100000000,  0.0000000000000000 ]  - [  -0.0003606400000000, -0.0017366700000000,  0.0000000000000000 ]  - [  -0.0007314700000000, -0.0006678100000000,  0.0000000000000000 ]  - [  -0.0003608600000000, -0.0017819800000000,  0.0000000000000000 ]  - [  -0.0008415400000000, -0.0018636500000000,  0.0000000000000000 ]  - [  -0.0003699100000000, -0.0017553900000000,  0.0000000000000000 ]  - [  -0.0008413400000000, -0.0017306700000000,  0.0000000000000000 ]  - [  -0.0003700000000000, -0.0017529500000000,  0.0000000000000000 ]  - [  -0.0006110700000000,  0.0028183100000000,  0.0016859300000000 ]  - [  -0.0003616100000000,  0.0017509600000000, -0.0000310600000000 ]  - [  -0.0007922600000000,  0.0016537900000000, -0.0000408100000000 ]  - [  -0.0003661300000000,  0.0017549000000000,  0.0000025500000000 ]  - [  -0.0006110700000000,  0.0028183100000000, -0.0016859300000000 ]  - [  -0.0003616100000000,  0.0017509600000000,  0.0000310600000000 ]  - [  -0.0007922600000000,  0.0016537900000000,  0.0000408100000000 ]  - [  -0.0003661300000000,  0.0017549000000000, -0.0000025500000000 ]  - [   0.0006988100000000,  0.0017377400000000, -0.0000936700000000 ]  - [   0.0006992900000000,  0.0019629800000000,  0.0000855500000000 ]  - [   0.0005804000000000,  0.0017747600000000, -0.0000185700000000 ]  - [   0.0005803100000000,  0.0016310400000000, -0.0000201800000000 ]  - [   0.0006988100000000,  0.0017377400000000,  0.0000936700000000 ]  - [   0.0006992900000000,  0.0019629800000000, -0.0000855500000000 ]  - [   0.0005804000000000,  0.0017747600000000,  0.0000185700000000 ]  - [   0.0005803100000000,  0.0016310400000000,  0.0000201800000000 ]  - [  -0.0001400400000000,  0.0000530800000000,  0.0000405100000000 ]  - [   0.0012031000000000, -0.0013542900000000, -0.0014179300000000 ]  - [  -0.0000708400000000, -0.0000027000000000, -0.0000085800000000 ]  - [   0.0000513200000000, -0.0000022100000000,  0.0000156200000000 ]  - [  -0.0000686800000000, -0.0000096500000000, -0.0000013900000000 ]  - [   0.0000398600000000,  0.0001711700000000,  0.0001018500000000 ]  - [  -0.0000694700000000, -0.0000087800000000, -0.0000096800000000 ]  - [   0.0000549200000000,  0.0000045800000000, -0.0000032200000000 ]  - [  -0.0001400400000000,  0.0000530800000000, -0.0000405100000000 ]  - [   0.0012031000000000, -0.0013542900000000,  0.0014179300000000 ]  - [  -0.0000708400000000, -0.0000027000000000,  0.0000085800000000 ]  - [   0.0000513200000000, -0.0000022100000000, -0.0000156200000000 ]  - [  -0.0000686800000000, -0.0000096500000000,  0.0000013900000000 ]  - [   0.0000398600000000,  0.0001711700000000, -0.0001018500000000 ]  - [  -0.0000694700000000, -0.0000087800000000,  0.0000096800000000 ]  - [   0.0000549200000000,  0.0000045800000000,  0.0000032200000000 ]  - [   0.0002689600000000,  0.0001827600000000,  0.0001401900000000 ]  - [  -0.0000876400000000, -0.0000218300000000, -0.0000273800000000 ]  - [   0.0009304000000000, -0.0016260200000000,  0.0003786600000000 ]  - [  -0.0000754500000000,  0.0000139300000000,  0.0000198600000000 ]  - [   0.0000815000000000, -0.0000624600000000, -0.0000200900000000 ]  - [  -0.0000812100000000, -0.0000107500000000, -0.0000182000000000 ]  - [   0.0002718800000000, -0.0000960600000000, -0.0001491800000000 ]  - [  -0.0000832500000000,  0.0000206600000000,  0.0000191400000000 ]  - [   0.0002689600000000,  0.0001827600000000, -0.0001401900000000 ]  - [  -0.0000876400000000, -0.0000218300000000,  0.0000273800000000 ]  - [   0.0009304000000000, -0.0016260200000000, -0.0003786600000000 ]  - [  -0.0000754500000000,  0.0000139300000000, -0.0000198600000000 ]  - [   0.0000815000000000, -0.0000624600000000,  0.0000200900000000 ]  - [  -0.0000812100000000, -0.0000107500000000,  0.0000182000000000 ]  - [   0.0002718800000000, -0.0000960600000000,  0.0001491800000000 ]  - [  -0.0000832500000000,  0.0000206600000000, -0.0000191400000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0005857600000000,  0.0033940200000000,  0.0000000000000000 ]  - [  -0.0065379700000000,  0.0007572100000000,  0.0000000000000000 ]  - [   0.0001495600000000,  0.0034289200000000,  0.0000000000000000 ]  - [  -0.0001372400000000,  0.0032863100000000,  0.0000000000000000 ]  - [   0.0001622500000000,  0.0034424400000000,  0.0000000000000000 ]  - [  -0.0001633900000000,  0.0037389200000000,  0.0000000000000000 ]  - [   0.0001354500000000,  0.0034072400000000,  0.0000000000000000 ]  - [  -0.0001350500000000,  0.0032682000000000,  0.0000000000000000 ]  - [   0.0001556600000000, -0.0033731100000000, -0.0000564200000000 ]  - [  -0.0000606900000000, -0.0041589100000000,  0.0005657800000000 ]  - [   0.0001792600000000, -0.0034740000000000, -0.0000186200000000 ]  - [  -0.0001280000000000, -0.0032125300000000,  0.0000814300000000 ]  - [   0.0001556600000000, -0.0033731100000000,  0.0000564200000000 ]  - [  -0.0000606900000000, -0.0041589100000000, -0.0005657800000000 ]  - [   0.0001792600000000, -0.0034740000000000,  0.0000186200000000 ]  - [  -0.0001280000000000, -0.0032125300000000, -0.0000814300000000 ]  - [  -0.0014552300000000,  0.0025130900000000,  0.0000000000000000 ]  - [   0.0002817800000000,  0.0033471700000000,  0.0000000000000000 ]  - [  -0.0001585100000000,  0.0030965600000000,  0.0000000000000000 ]  - [   0.0001314600000000,  0.0034923000000000,  0.0000000000000000 ]  - [  -0.0002202700000000,  0.0034424000000000,  0.0000000000000000 ]  - [   0.0002366200000000,  0.0034051100000000,  0.0000000000000000 ]  - [  -0.0000098700000000,  0.0029700100000000,  0.0000000000000000 ]  - [   0.0001002700000000,  0.0034925800000000,  0.0000000000000000 ]  - [  -0.0012961400000000, -0.0035178200000000,  0.0006328900000000 ]  - [   0.0002719400000000, -0.0033616500000000,  0.0000413000000000 ]  - [  -0.0000651500000000, -0.0033223300000000, -0.0002116200000000 ]  - [   0.0001231500000000, -0.0035089500000000,  0.0000062300000000 ]  - [  -0.0012961400000000, -0.0035178200000000, -0.0006328900000000 ]  - [   0.0002719400000000, -0.0033616500000000, -0.0000413000000000 ]  - [  -0.0000651500000000, -0.0033223300000000,  0.0002116200000000 ]  - [   0.0001231500000000, -0.0035089500000000, -0.0000062300000000 ]  - [   0.0221686100000000, -0.0005211800000000,  0.0000000000000000 ]  - [   0.0003275600000000, -0.0017736000000000,  0.0000000000000000 ]  - [   0.0007700200000000, -0.0017853300000000,  0.0000000000000000 ]  - [   0.0003799500000000, -0.0017426900000000,  0.0000000000000000 ]  - [   0.0008979100000000, -0.0018736900000000,  0.0000000000000000 ]  - [   0.0003702600000000, -0.0017606100000000,  0.0000000000000000 ]  - [   0.0007519600000000, -0.0017039400000000,  0.0000000000000000 ]  - [   0.0003771000000000, -0.0017474000000000,  0.0000000000000000 ]  - [  -0.0082027400000000, -0.0016136600000000,  0.0000000000000000 ]  - [  -0.0008429800000000, -0.0019007500000000,  0.0000000000000000 ]  - [  -0.0006309600000000, -0.0017703600000000,  0.0000000000000000 ]  - [  -0.0005299200000000, -0.0017470000000000,  0.0000000000000000 ]  - [  -0.0006539700000000, -0.0018426800000000,  0.0000000000000000 ]  - [  -0.0006641400000000, -0.0018098500000000,  0.0000000000000000 ]  - [  -0.0005893400000000, -0.0017038700000000,  0.0000000000000000 ]  - [  -0.0005375400000000, -0.0017474300000000,  0.0000000000000000 ]  - [  -0.0007609500000000,  0.0015377900000000,  0.0003357500000000 ]  - [  -0.0008598800000000,  0.0018374500000000, -0.0001042000000000 ]  - [  -0.0006625000000000,  0.0018758400000000,  0.0000243000000000 ]  - [  -0.0005326600000000,  0.0017571900000000,  0.0000015500000000 ]  - [  -0.0007609500000000,  0.0015377900000000, -0.0003357500000000 ]  - [  -0.0008598800000000,  0.0018374500000000,  0.0001042000000000 ]  - [  -0.0006625000000000,  0.0018758400000000, -0.0000243000000000 ]  - [  -0.0005326600000000,  0.0017571900000000, -0.0000015500000000 ]  - [   0.0017647000000000,  0.0018769600000000, -0.0001674900000000 ]  - [   0.0003426200000000,  0.0017514000000000,  0.0000055700000000 ]  - [   0.0008166700000000,  0.0018615000000000,  0.0000123100000000 ]  - [   0.0003807400000000,  0.0017565600000000,  0.0000011600000000 ]  - [   0.0017647000000000,  0.0018769600000000,  0.0001674900000000 ]  - [   0.0003426200000000,  0.0017514000000000, -0.0000055700000000 ]  - [   0.0008166700000000,  0.0018615000000000, -0.0000123100000000 ]  - [   0.0003807400000000,  0.0017565600000000, -0.0000011600000000 ]  - [   0.0003211200000000, -0.0018393400000000,  0.0000000000000000 ]  - [   0.0003210000000000, -0.0014435000000000,  0.0000000000000000 ]  - [   0.0003208500000000, -0.0016916900000000,  0.0000000000000000 ]  - [   0.0003217500000000, -0.0019293100000000,  0.0000000000000000 ]  - [   0.0004467700000000, -0.0017646600000000,  0.0000000000000000 ]  - [   0.0003429400000000, -0.0016848000000000,  0.0000000000000000 ]  - [   0.0003430300000000, -0.0017571000000000,  0.0000000000000000 ]  - [   0.0004467700000000, -0.0018275200000000,  0.0000000000000000 ]  - [  -0.0002615800000000, -0.0005328100000000,  0.0000000000000000 ]  - [  -0.0006269700000000, -0.0017941100000000,  0.0000000000000000 ]  - [  -0.0002601800000000, -0.0028617900000000,  0.0000000000000000 ]  - [  -0.0006271200000000, -0.0017481700000000,  0.0000000000000000 ]  - [  -0.0001485400000000, -0.0016674600000000,  0.0000000000000000 ]  - [  -0.0006176100000000, -0.0017751600000000,  0.0000000000000000 ]  - [  -0.0001482900000000, -0.0017991500000000,  0.0000000000000000 ]  - [  -0.0006176500000000, -0.0017777300000000,  0.0000000000000000 ]  - [  -0.0003852200000000,  0.0007143600000000, -0.0016827700000000 ]  - [  -0.0006263200000000,  0.0017798600000000,  0.0000314300000000 ]  - [  -0.0001973800000000,  0.0018758000000000,  0.0000409700000000 ]  - [  -0.0006215000000000,  0.0017753900000000, -0.0000026100000000 ]  - [  -0.0003852200000000,  0.0007143600000000,  0.0016827700000000 ]  - [  -0.0006263200000000,  0.0017798600000000, -0.0000314300000000 ]  - [  -0.0001973800000000,  0.0018758000000000, -0.0000409700000000 ]  - [  -0.0006215000000000,  0.0017753900000000,  0.0000026100000000 ]  - [   0.0002899100000000,  0.0017937100000000,  0.0000950500000000 ]  - [   0.0002902700000000,  0.0015686800000000, -0.0000876000000000 ]  - [   0.0004083400000000,  0.0017557700000000,  0.0000182500000000 ]  - [   0.0004082500000000,  0.0018985200000000,  0.0000202100000000 ]  - [   0.0002899100000000,  0.0017937100000000, -0.0000950500000000 ]  - [   0.0002902700000000,  0.0015686800000000,  0.0000876000000000 ]  - [   0.0004083400000000,  0.0017557700000000, -0.0000182500000000 ]  - [   0.0004082500000000,  0.0018985200000000, -0.0000202100000000 ]  - [   0.0001409200000000, -0.0000534500000000, -0.0000407700000000 ]  - [  -0.0011609400000000,  0.0013328300000000,  0.0013912700000000 ]  - [   0.0000705600000000,  0.0000030300000000,  0.0000087700000000 ]  - [  -0.0000513000000000,  0.0000020500000000, -0.0000156200000000 ]  - [   0.0000684700000000,  0.0000093800000000,  0.0000019400000000 ]  - [  -0.0000397800000000, -0.0001702900000000, -0.0001016500000000 ]  - [   0.0000692300000000,  0.0000092300000000,  0.0000100300000000 ]  - [  -0.0000549600000000, -0.0000042000000000,  0.0000034000000000 ]  - [   0.0001409200000000, -0.0000534500000000,  0.0000407700000000 ]  - [  -0.0011609400000000,  0.0013328300000000, -0.0013912700000000 ]  - [   0.0000705600000000,  0.0000030300000000, -0.0000087700000000 ]  - [  -0.0000513000000000,  0.0000020500000000,  0.0000156200000000 ]  - [   0.0000684700000000,  0.0000093800000000, -0.0000019400000000 ]  - [  -0.0000397800000000, -0.0001702900000000,  0.0001016500000000 ]  - [   0.0000692300000000,  0.0000092300000000, -0.0000100300000000 ]  - [  -0.0000549600000000, -0.0000042000000000, -0.0000034000000000 ]  - [  -0.0002729800000000, -0.0001831700000000, -0.0001365900000000 ]  - [   0.0000874200000000,  0.0000214200000000,  0.0000272400000000 ]  - [  -0.0009317500000000,  0.0016427400000000, -0.0003860000000000 ]  - [   0.0000759400000000, -0.0000136600000000, -0.0000199600000000 ]  - [  -0.0000812100000000,  0.0000626700000000,  0.0000200800000000 ]  - [   0.0000809400000000,  0.0000103000000000,  0.0000178100000000 ]  - [  -0.0002756500000000,  0.0000924100000000,  0.0001504900000000 ]  - [   0.0000831100000000, -0.0000208300000000, -0.0000192500000000 ]  - [  -0.0002729800000000, -0.0001831700000000,  0.0001365900000000 ]  - [   0.0000874200000000,  0.0000214200000000, -0.0000272400000000 ]  - [  -0.0009317500000000,  0.0016427400000000,  0.0003860000000000 ]  - [   0.0000759400000000, -0.0000136600000000,  0.0000199600000000 ]  - [  -0.0000812100000000,  0.0000626700000000, -0.0000200800000000 ]  - [   0.0000809400000000,  0.0000103000000000, -0.0000178100000000 ]  - [  -0.0002756500000000,  0.0000924100000000, -0.0001504900000000 ]  - [   0.0000831100000000, -0.0000208300000000,  0.0000192500000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000728600000000,  0.0035784500000000,  0.0000000000000000 ]  - [   0.0010861900000000,  0.0050048600000000,  0.0000000000000000 ]  - [  -0.0000324800000000,  0.0032846700000000,  0.0000000000000000 ]  - [   0.0000748300000000,  0.0031466500000000,  0.0000000000000000 ]  - [   0.0000964300000000,  0.0035280300000000,  0.0000000000000000 ]  - [  -0.0001652500000000,  0.0037525700000000,  0.0000000000000000 ]  - [  -0.0000477600000000,  0.0033523000000000,  0.0000000000000000 ]  - [   0.0000537400000000,  0.0032518500000000,  0.0000000000000000 ]  - [  -0.0000907900000000, -0.0033557300000000,  0.0000563400000000 ]  - [   0.0004739300000000, -0.0034146200000000,  0.0002426300000000 ]  - [   0.0001102200000000, -0.0035244600000000, -0.0000352300000000 ]  - [  -0.0001650100000000, -0.0036449000000000, -0.0000957500000000 ]  - [  -0.0000907900000000, -0.0033557300000000, -0.0000563400000000 ]  - [   0.0004739300000000, -0.0034146200000000, -0.0002426300000000 ]  - [   0.0001102200000000, -0.0035244600000000,  0.0000352300000000 ]  - [  -0.0001650100000000, -0.0036449000000000,  0.0000957500000000 ]  - [   0.0006059100000000,  0.0060859100000000,  0.0000000000000000 ]  - [   0.0000325600000000,  0.0034551700000000,  0.0000000000000000 ]  - [   0.0003058800000000,  0.0027440600000000,  0.0000000000000000 ]  - [   0.0000025100000000,  0.0034391100000000,  0.0000000000000000 ]  - [  -0.0001192000000000,  0.0035893400000000,  0.0000000000000000 ]  - [   0.0000559700000000,  0.0034370300000000,  0.0000000000000000 ]  - [   0.0000402300000000,  0.0032431300000000,  0.0000000000000000 ]  - [  -0.0000010800000000,  0.0034395700000000,  0.0000000000000000 ]  - [  -0.0000678100000000, -0.0022241400000000,  0.0005491500000000 ]  - [   0.0000096000000000, -0.0034033700000000, -0.0000137100000000 ]  - [  -0.0000421900000000, -0.0040377700000000,  0.0001618700000000 ]  - [   0.0000111100000000, -0.0034817200000000, -0.0000021700000000 ]  - [  -0.0000678100000000, -0.0022241400000000, -0.0005491500000000 ]  - [   0.0000096000000000, -0.0034033700000000,  0.0000137100000000 ]  - [  -0.0000421900000000, -0.0040377700000000, -0.0001618700000000 ]  - [   0.0000111100000000, -0.0034817200000000,  0.0000021700000000 ]  - [  -0.0007305400000000, -0.0177633300000000,  0.0000000000000000 ]  - [   0.0005031000000000, -0.0017801000000000,  0.0000000000000000 ]  - [   0.0005146900000000, -0.0014246600000000,  0.0000000000000000 ]  - [   0.0004720900000000, -0.0017522600000000,  0.0000000000000000 ]  - [   0.0006031400000000, -0.0019386900000000,  0.0000000000000000 ]  - [   0.0004902900000000, -0.0017860700000000,  0.0000000000000000 ]  - [   0.0004332300000000, -0.0016653400000000,  0.0000000000000000 ]  - [   0.0004768500000000, -0.0017453000000000,  0.0000000000000000 ]  - [  -0.0003338600000000, -0.0032934600000000,  0.0000000000000000 ]  - [  -0.0006315800000000, -0.0017928300000000,  0.0000000000000000 ]  - [  -0.0005003600000000, -0.0014640300000000,  0.0000000000000000 ]  - [  -0.0004761300000000, -0.0017445200000000,  0.0000000000000000 ]  - [  -0.0005726900000000, -0.0018540300000000,  0.0000000000000000 ]  - [  -0.0005395700000000, -0.0018092800000000,  0.0000000000000000 ]  - [  -0.0004331800000000, -0.0016699200000000,  0.0000000000000000 ]  - [  -0.0004768100000000, -0.0017353600000000,  0.0000000000000000 ]  - [  -0.0002691700000000,  0.0016349500000000, -0.0002715800000000 ]  - [  -0.0005670100000000,  0.0017385000000000,  0.0000140000000000 ]  - [  -0.0006055400000000,  0.0020026500000000,  0.0001819800000000 ]  - [  -0.0004867100000000,  0.0017781100000000, -0.0000059200000000 ]  - [  -0.0002691700000000,  0.0016349500000000,  0.0002715800000000 ]  - [  -0.0005670100000000,  0.0017385000000000, -0.0000140000000000 ]  - [  -0.0006055400000000,  0.0020026500000000, -0.0001819800000000 ]  - [  -0.0004867100000000,  0.0017781100000000,  0.0000059200000000 ]  - [   0.0006018900000000,  0.0026525300000000, -0.0026590000000000 ]  - [   0.0004809600000000,  0.0017520400000000,  0.0000043900000000 ]  - [   0.0005907200000000,  0.0019910200000000,  0.0001548200000000 ]  - [   0.0004861700000000,  0.0017757700000000, -0.0000025800000000 ]  - [   0.0006018900000000,  0.0026525300000000,  0.0026590000000000 ]  - [   0.0004809600000000,  0.0017520400000000, -0.0000043900000000 ]  - [   0.0005907200000000,  0.0019910200000000, -0.0001548200000000 ]  - [   0.0004861700000000,  0.0017757700000000,  0.0000025800000000 ]  - [   0.0006576800000000, -0.0017503900000000,  0.0000000000000000 ]  - [   0.0004219700000000, -0.0017515700000000,  0.0000000000000000 ]  - [   0.0001716100000000, -0.0017521200000000,  0.0000000000000000 ]  - [   0.0005686300000000, -0.0017508400000000,  0.0000000000000000 ]  - [   0.0005570000000000, -0.0017832500000000,  0.0000000000000000 ]  - [   0.0004862800000000, -0.0017433300000000,  0.0000000000000000 ]  - [   0.0004143900000000, -0.0017435800000000,  0.0000000000000000 ]  - [   0.0004943200000000, -0.0017833900000000,  0.0000000000000000 ]  - [  -0.0015846700000000,  0.0003344800000000,  0.0000000000000000 ]  - [  -0.0004779300000000, -0.0017647100000000,  0.0000000000000000 ]  - [   0.0007463000000000,  0.0003589700000000,  0.0000000000000000 ]  - [  -0.0005235700000000, -0.0017647700000000,  0.0000000000000000 ]  - [  -0.0005289400000000, -0.0017146100000000,  0.0000000000000000 ]  - [  -0.0005072000000000, -0.0017652400000000,  0.0000000000000000 ]  - [  -0.0003971900000000, -0.0017144700000000,  0.0000000000000000 ]  - [  -0.0005046900000000, -0.0017653900000000,  0.0000000000000000 ]  - [   0.0005582100000000,  0.0019493200000000,  0.0017846200000000 ]  - [  -0.0005092200000000,  0.0017482800000000, -0.0000028900000000 ]  - [  -0.0006058000000000,  0.0019011300000000, -0.0000667000000000 ]  - [  -0.0005049800000000,  0.0017850400000000,  0.0000035100000000 ]  - [   0.0005582100000000,  0.0019493200000000, -0.0017846200000000 ]  - [  -0.0005092200000000,  0.0017482800000000,  0.0000028900000000 ]  - [  -0.0006058000000000,  0.0019011300000000,  0.0000667000000000 ]  - [  -0.0005049800000000,  0.0017850400000000, -0.0000035100000000 ]  - [   0.0002975000000000,  0.0017002300000000,  0.0000557600000000 ]  - [   0.0005228600000000,  0.0017003400000000, -0.0000038600000000 ]  - [   0.0006284300000000,  0.0018393000000000, -0.0000422700000000 ]  - [   0.0004853700000000,  0.0018393500000000,  0.0000061200000000 ]  - [   0.0002975000000000,  0.0017002300000000, -0.0000557600000000 ]  - [   0.0005228600000000,  0.0017003400000000,  0.0000038600000000 ]  - [   0.0006284300000000,  0.0018393000000000,  0.0000422700000000 ]  - [   0.0004853700000000,  0.0018393500000000, -0.0000061200000000 ]  - [   0.0000011800000000, -0.0000129300000000, -0.0000365400000000 ]  - [  -0.0004685700000000, -0.0000166200000000,  0.0000494300000000 ]  - [   0.0000159200000000,  0.0000163900000000,  0.0000399700000000 ]  - [  -0.0000248000000000,  0.0000213900000000,  0.0000808400000000 ]  - [   0.0000018100000000, -0.0000314300000000, -0.0000309000000000 ]  - [   0.0000135600000000, -0.0001074300000000, -0.0001216500000000 ]  - [   0.0000137700000000,  0.0000251300000000,  0.0000295200000000 ]  - [  -0.0000442200000000,  0.0000447700000000,  0.0000490800000000 ]  - [   0.0000011800000000, -0.0000129300000000,  0.0000365400000000 ]  - [  -0.0004685700000000, -0.0000166200000000, -0.0000494300000000 ]  - [   0.0000159200000000,  0.0000163900000000, -0.0000399700000000 ]  - [  -0.0000248000000000,  0.0000213900000000, -0.0000808400000000 ]  - [   0.0000018100000000, -0.0000314300000000,  0.0000309000000000 ]  - [   0.0000135600000000, -0.0001074300000000,  0.0001216500000000 ]  - [   0.0000137700000000,  0.0000251300000000, -0.0000295200000000 ]  - [  -0.0000442200000000,  0.0000447700000000, -0.0000490800000000 ]  - [   0.0001021300000000,  0.0005161300000000,  0.0001742400000000 ]  - [   0.0000096700000000,  0.0000026100000000,  0.0000040900000000 ]  - [  -0.0012556400000000,  0.0021890400000000, -0.0011080400000000 ]  - [   0.0000037800000000, -0.0000045500000000, -0.0000047100000000 ]  - [  -0.0000391700000000, -0.0000306800000000,  0.0000022200000000 ]  - [   0.0000166700000000,  0.0000077400000000,  0.0000115300000000 ]  - [  -0.0001155700000000,  0.0000497300000000,  0.0002238400000000 ]  - [  -0.0000002800000000, -0.0000007800000000, -0.0000080300000000 ]  - [   0.0001021300000000,  0.0005161300000000, -0.0001742400000000 ]  - [   0.0000096700000000,  0.0000026100000000, -0.0000040900000000 ]  - [  -0.0012556400000000,  0.0021890400000000,  0.0011080400000000 ]  - [   0.0000037800000000, -0.0000045500000000,  0.0000047100000000 ]  - [  -0.0000391700000000, -0.0000306800000000, -0.0000022200000000 ]  - [   0.0000166700000000,  0.0000077400000000, -0.0000115300000000 ]  - [  -0.0001155700000000,  0.0000497300000000, -0.0002238400000000 ]  - [  -0.0000002800000000, -0.0000007800000000,  0.0000080300000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000735500000000,  0.0033026100000000,  0.0000000000000000 ]  - [  -0.0010736800000000,  0.0018691500000000,  0.0000000000000000 ]  - [   0.0000323300000000,  0.0035957400000000,  0.0000000000000000 ]  - [  -0.0000757100000000,  0.0037355700000000,  0.0000000000000000 ]  - [  -0.0000970600000000,  0.0033523500000000,  0.0000000000000000 ]  - [   0.0001653000000000,  0.0031279500000000,  0.0000000000000000 ]  - [   0.0000477200000000,  0.0035284300000000,  0.0000000000000000 ]  - [  -0.0000533700000000,  0.0036289100000000,  0.0000000000000000 ]  - [   0.0000911000000000, -0.0035253000000000, -0.0000562400000000 ]  - [  -0.0004776700000000, -0.0034683300000000, -0.0002442800000000 ]  - [  -0.0001099900000000, -0.0033564300000000,  0.0000349200000000 ]  - [   0.0001638700000000, -0.0032365100000000,  0.0000942000000000 ]  - [   0.0000911000000000, -0.0035253000000000,  0.0000562400000000 ]  - [  -0.0004776700000000, -0.0034683300000000,  0.0002442800000000 ]  - [  -0.0001099900000000, -0.0033564300000000, -0.0000349200000000 ]  - [   0.0001638700000000, -0.0032365100000000, -0.0000942000000000 ]  - [  -0.0006840600000000,  0.0006475300000000,  0.0000000000000000 ]  - [  -0.0000324400000000,  0.0034248900000000,  0.0000000000000000 ]  - [  -0.0003013600000000,  0.0041392900000000,  0.0000000000000000 ]  - [  -0.0000026400000000,  0.0034428000000000,  0.0000000000000000 ]  - [   0.0001199500000000,  0.0032916100000000,  0.0000000000000000 ]  - [  -0.0000561700000000,  0.0034438200000000,  0.0000000000000000 ]  - [  -0.0000402600000000,  0.0036405100000000,  0.0000000000000000 ]  - [   0.0000005100000000,  0.0034420200000000,  0.0000000000000000 ]  - [   0.0000631800000000, -0.0046600500000000, -0.0005429500000000 ]  - [  -0.0000093700000000, -0.0034778200000000,  0.0000141800000000 ]  - [   0.0000440000000000, -0.0028440000000000, -0.0001599800000000 ]  - [  -0.0000114100000000, -0.0033992000000000,  0.0000022300000000 ]  - [   0.0000631800000000, -0.0046600500000000,  0.0005429500000000 ]  - [  -0.0000093700000000, -0.0034778200000000, -0.0000141800000000 ]  - [   0.0000440000000000, -0.0028440000000000,  0.0001599800000000 ]  - [  -0.0000114100000000, -0.0033992000000000, -0.0000022300000000 ]  - [   0.0018393300000000,  0.0143180600000000,  0.0000000000000000 ]  - [   0.0004864500000000, -0.0017503900000000,  0.0000000000000000 ]  - [   0.0004746800000000, -0.0021057400000000,  0.0000000000000000 ]  - [   0.0005176800000000, -0.0017784100000000,  0.0000000000000000 ]  - [   0.0003857700000000, -0.0015910300000000,  0.0000000000000000 ]  - [   0.0004995200000000, -0.0017444100000000,  0.0000000000000000 ]  - [   0.0005563200000000, -0.0018657100000000,  0.0000000000000000 ]  - [   0.0005128700000000, -0.0017853000000000,  0.0000000000000000 ]  - [  -0.0006342200000000, -0.0002362700000000,  0.0000000000000000 ]  - [  -0.0003583100000000, -0.0017376000000000,  0.0000000000000000 ]  - [  -0.0004895000000000, -0.0020653100000000,  0.0000000000000000 ]  - [  -0.0005131700000000, -0.0017861000000000,  0.0000000000000000 ]  - [  -0.0004173700000000, -0.0016759500000000,  0.0000000000000000 ]  - [  -0.0004499200000000, -0.0017210900000000,  0.0000000000000000 ]  - [  -0.0005563200000000, -0.0018610800000000,  0.0000000000000000 ]  - [  -0.0005127300000000, -0.0017951500000000,  0.0000000000000000 ]  - [  -0.0007218200000000,  0.0018962100000000,  0.0002722200000000 ]  - [  -0.0004231900000000,  0.0017928700000000, -0.0000144600000000 ]  - [  -0.0003841500000000,  0.0015280400000000, -0.0001814600000000 ]  - [  -0.0005027400000000,  0.0017520900000000,  0.0000056500000000 ]  - [  -0.0007218200000000,  0.0018962100000000, -0.0002722200000000 ]  - [  -0.0004231900000000,  0.0017928700000000,  0.0000144600000000 ]  - [  -0.0003841500000000,  0.0015280400000000,  0.0001814600000000 ]  - [  -0.0005027400000000,  0.0017520900000000, -0.0000056500000000 ]  - [   0.0003878400000000,  0.0008807700000000,  0.0026787700000000 ]  - [   0.0005088600000000,  0.0017786900000000, -0.0000043900000000 ]  - [   0.0003986700000000,  0.0015401700000000, -0.0001532700000000 ]  - [   0.0005036000000000,  0.0017547300000000,  0.0000024300000000 ]  - [   0.0003878400000000,  0.0008807700000000, -0.0026787700000000 ]  - [   0.0005088600000000,  0.0017786900000000,  0.0000043900000000 ]  - [   0.0003986700000000,  0.0015401700000000,  0.0001532700000000 ]  - [   0.0005036000000000,  0.0017547300000000, -0.0000024300000000 ]  - [   0.0003306100000000, -0.0017807800000000,  0.0000000000000000 ]  - [   0.0005686900000000, -0.0017780000000000,  0.0000000000000000 ]  - [   0.0008169500000000, -0.0017785400000000,  0.0000000000000000 ]  - [   0.0004217800000000, -0.0017812500000000,  0.0000000000000000 ]  - [   0.0004323800000000, -0.0017471700000000,  0.0000000000000000 ]  - [   0.0005035100000000, -0.0017872700000000,  0.0000000000000000 ]  - [   0.0005759700000000, -0.0017874800000000,  0.0000000000000000 ]  - [   0.0004957400000000, -0.0017473900000000,  0.0000000000000000 ]  - [   0.0006093700000000, -0.0038902500000000,  0.0000000000000000 ]  - [  -0.0005117900000000, -0.0017657900000000,  0.0000000000000000 ]  - [  -0.0017207100000000, -0.0038657200000000,  0.0000000000000000 ]  - [  -0.0004663500000000, -0.0017658700000000,  0.0000000000000000 ]  - [  -0.0004606400000000, -0.0018163600000000,  0.0000000000000000 ]  - [  -0.0004824700000000, -0.0017652200000000,  0.0000000000000000 ]  - [  -0.0005935200000000, -0.0018162200000000,  0.0000000000000000 ]  - [  -0.0004850400000000, -0.0017653600000000,  0.0000000000000000 ]  - [  -0.0015459800000000,  0.0015715200000000, -0.0017804300000000 ]  - [  -0.0004805200000000,  0.0017822400000000,  0.0000028900000000 ]  - [  -0.0003840500000000,  0.0016289000000000,  0.0000676400000000 ]  - [  -0.0004847800000000,  0.0017455400000000, -0.0000035600000000 ]  - [  -0.0015459800000000,  0.0015715200000000,  0.0017804300000000 ]  - [  -0.0004805200000000,  0.0017822400000000, -0.0000028900000000 ]  - [  -0.0003840500000000,  0.0016289000000000, -0.0000676400000000 ]  - [  -0.0004847800000000,  0.0017455400000000,  0.0000035600000000 ]  - [   0.0006920600000000,  0.0018298000000000, -0.0000552100000000 ]  - [   0.0004671700000000,  0.0018299100000000,  0.0000028900000000 ]  - [   0.0003612900000000,  0.0016913000000000,  0.0000419500000000 ]  - [   0.0005046400000000,  0.0016913300000000, -0.0000059200000000 ]  - [   0.0006920600000000,  0.0018298000000000,  0.0000552100000000 ]  - [   0.0004671700000000,  0.0018299100000000, -0.0000028900000000 ]  - [   0.0003612900000000,  0.0016913000000000, -0.0000419500000000 ]  - [   0.0005046400000000,  0.0016913300000000,  0.0000059200000000 ]  - [  -0.0000012300000000,  0.0000131900000000,  0.0000366500000000 ]  - [   0.0004695200000000,  0.0000224600000000, -0.0000463100000000 ]  - [  -0.0000158900000000, -0.0000164500000000, -0.0000398300000000 ]  - [   0.0000240800000000, -0.0000221400000000, -0.0000808800000000 ]  - [  -0.0000017100000000,  0.0000311100000000,  0.0000313700000000 ]  - [  -0.0000139900000000,  0.0001073500000000,  0.0001217400000000 ]  - [  -0.0000136500000000, -0.0000246700000000, -0.0000292200000000 ]  - [   0.0000437200000000, -0.0000439400000000, -0.0000486300000000 ]  - [  -0.0000012300000000,  0.0000131900000000, -0.0000366500000000 ]  - [   0.0004695200000000,  0.0000224600000000,  0.0000463100000000 ]  - [  -0.0000158900000000, -0.0000164500000000,  0.0000398300000000 ]  - [   0.0000240800000000, -0.0000221400000000,  0.0000808800000000 ]  - [  -0.0000017100000000,  0.0000311100000000, -0.0000313700000000 ]  - [  -0.0000139900000000,  0.0001073500000000, -0.0001217400000000 ]  - [  -0.0000136500000000, -0.0000246700000000,  0.0000292200000000 ]  - [   0.0000437200000000, -0.0000439400000000,  0.0000486300000000 ]  - [  -0.0001093500000000, -0.0005207600000000, -0.0001698900000000 ]  - [  -0.0000096500000000, -0.0000027100000000, -0.0000039500000000 ]  - [   0.0012165500000000, -0.0021429900000000,  0.0010709300000000 ]  - [  -0.0000036600000000,  0.0000045600000000,  0.0000045600000000 ]  - [   0.0000396400000000,  0.0000303900000000, -0.0000024400000000 ]  - [  -0.0000167400000000, -0.0000080100000000, -0.0000117200000000 ]  - [   0.0001161400000000, -0.0000504300000000, -0.0002235100000000 ]  - [   0.0000000700000000,  0.0000000500000000,  0.0000072300000000 ]  - [  -0.0001093500000000, -0.0005207600000000,  0.0001698900000000 ]  - [  -0.0000096500000000, -0.0000027100000000,  0.0000039500000000 ]  - [   0.0012165500000000, -0.0021429900000000, -0.0010709300000000 ]  - [  -0.0000036600000000,  0.0000045600000000, -0.0000045600000000 ]  - [   0.0000396400000000,  0.0000303900000000,  0.0000024400000000 ]  - [  -0.0000167400000000, -0.0000080100000000,  0.0000117200000000 ]  - [   0.0001161400000000, -0.0000504300000000,  0.0002235100000000 ]  - [   0.0000000700000000,  0.0000000500000000, -0.0000072300000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000001300000000,  0.0034428600000000,  0.0001284700000000 ]  - [  -0.0000071000000000,  0.0034413700000000,  0.0008951500000000 ]  - [  -0.0000000400000000,  0.0034425100000000,  0.0000258800000000 ]  - [   0.0000002200000000,  0.0034424100000000,  0.0000743800000000 ]  - [  -0.0000004600000000,  0.0034426800000000, -0.0001309400000000 ]  - [  -0.0000007900000000,  0.0034433900000000, -0.0003839200000000 ]  - [  -0.0000000100000000,  0.0034426300000000, -0.0000249100000000 ]  - [   0.0000001400000000,  0.0034430400000000, -0.0000835500000000 ]  - [   0.0000335900000000, -0.0034366300000000, -0.0000014700000000 ]  - [  -0.0003999300000000, -0.0032816100000000, -0.0002081500000000 ]  - [   0.0000430300000000, -0.0035177800000000, -0.0000027400000000 ]  - [  -0.0000701500000000, -0.0036188100000000,  0.0000045500000000 ]  - [  -0.0000334400000000, -0.0034489100000000, -0.0000016100000000 ]  - [   0.0003968300000000, -0.0036042100000000, -0.0002101100000000 ]  - [  -0.0000428600000000, -0.0033678700000000, -0.0000026200000000 ]  - [   0.0000692500000000, -0.0032684200000000,  0.0000038100000000 ]  - [   0.0000017300000000,  0.0034489900000000,  0.0010252600000000 ]  - [  -0.0000000200000000,  0.0034426400000000,  0.0000500400000000 ]  - [  -0.0000009800000000,  0.0034417900000000,  0.0007064300000000 ]  - [   0.0000000800000000,  0.0034431400000000,  0.0000171200000000 ]  - [   0.0000009800000000,  0.0034435200000000, -0.0003778400000000 ]  - [  -0.0000000200000000,  0.0034428100000000, -0.0000461500000000 ]  - [   0.0000022700000000,  0.0034451000000000, -0.0007524100000000 ]  - [  -0.0000002000000000,  0.0034430000000000, -0.0000167300000000 ]  - [  -0.0000762700000000, -0.0037909600000000,  0.0017089100000000 ]  - [  -0.0000040000000000, -0.0034653700000000,  0.0000001900000000 ]  - [   0.0000388600000000, -0.0035264900000000,  0.0000168900000000 ]  - [  -0.0000194500000000, -0.0034459000000000, -0.0000011300000000 ]  - [   0.0000271300000000, -0.0030615300000000,  0.0016100000000000 ]  - [   0.0000040700000000, -0.0034205300000000, -0.0000001200000000 ]  - [  -0.0000390800000000, -0.0033599200000000,  0.0000161300000000 ]  - [   0.0000192700000000, -0.0034399800000000, -0.0000012900000000 ]  - [   0.0005329800000000, -0.0018012600000000, -0.0148579200000000 ]  - [   0.0004929000000000, -0.0017652500000000, -0.0000013800000000 ]  - [   0.0004929700000000, -0.0017650200000000,  0.0000403000000000 ]  - [   0.0004929800000000, -0.0017654100000000, -0.0000114000000000 ]  - [   0.0004918500000000, -0.0017646700000000,  0.0004177500000000 ]  - [   0.0004930900000000, -0.0017652400000000,  0.0000003000000000 ]  - [   0.0004929500000000, -0.0017654600000000, -0.0000331100000000 ]  - [   0.0004930600000000, -0.0017653400000000,  0.0000110700000000 ]  - [  -0.0004821700000000, -0.0017659200000000, -0.0014773300000000 ]  - [  -0.0004932400000000, -0.0017650300000000, -0.0000586000000000 ]  - [  -0.0004930600000000, -0.0017649900000000,  0.0000299200000000 ]  - [  -0.0004929000000000, -0.0017654700000000, -0.0000170500000000 ]  - [  -0.0004936400000000, -0.0017649000000000,  0.0002993200000000 ]  - [  -0.0004926900000000, -0.0017652400000000,  0.0000244300000000 ]  - [  -0.0004928700000000, -0.0017656100000000, -0.0000201300000000 ]  - [  -0.0004930200000000, -0.0017653000000000,  0.0000162100000000 ]  - [  -0.0008287200000000,  0.0014928200000000,  0.0001450800000000 ]  - [  -0.0003887500000000,  0.0017799000000000,  0.0000242000000000 ]  - [  -0.0005173400000000,  0.0019470400000000,  0.0000220800000000 ]  - [  -0.0004945400000000,  0.0017593000000000, -0.0000000300000000 ]  - [  -0.0001604400000000,  0.0020366600000000,  0.0001443500000000 ]  - [  -0.0005974900000000,  0.0017513600000000,  0.0000244900000000 ]  - [  -0.0004687500000000,  0.0015836800000000,  0.0000213300000000 ]  - [  -0.0004913100000000,  0.0017709300000000,  0.0000004100000000 ]  - [   0.0003315900000000, -0.0009193200000000,  0.0028022700000000 ]  - [   0.0004986400000000,  0.0017697200000000,  0.0000002700000000 ]  - [   0.0005048600000000,  0.0019193800000000,  0.0000119300000000 ]  - [   0.0004942100000000,  0.0017627100000000,  0.0000000700000000 ]  - [   0.0006531800000000,  0.0044186100000000,  0.0027805600000000 ]  - [   0.0004876000000000,  0.0017610000000000,  0.0000002800000000 ]  - [   0.0004808400000000,  0.0016114900000000,  0.0000111600000000 ]  - [   0.0004917100000000,  0.0017677100000000,  0.0000001800000000 ]  - [   0.0004929900000000, -0.0017652600000000,  0.0000070600000000 ]  - [   0.0004930700000000, -0.0017650700000000, -0.0001525800000000 ]  - [   0.0004924500000000, -0.0017652700000000, -0.0001525900000000 ]  - [   0.0004928500000000, -0.0017659200000000,  0.0000071900000000 ]  - [   0.0004927900000000, -0.0017652900000000,  0.0000039100000000 ]  - [   0.0004931300000000, -0.0017655100000000,  0.0001245400000000 ]  - [   0.0004934300000000, -0.0017658200000000,  0.0001246000000000 ]  - [   0.0004931500000000, -0.0017653200000000,  0.0000037900000000 ]  - [  -0.0004945900000000, -0.0017610000000000, -0.0004752500000000 ]  - [  -0.0004929300000000, -0.0017652500000000, -0.0000093400000000 ]  - [  -0.0004934200000000, -0.0017682100000000, -0.0004751400000000 ]  - [  -0.0004931300000000, -0.0017654200000000, -0.0000093800000000 ]  - [  -0.0004925900000000, -0.0017658500000000,  0.0001577900000000 ]  - [  -0.0004929000000000, -0.0017653100000000,  0.0000095200000000 ]  - [  -0.0004933200000000, -0.0017646600000000,  0.0001577600000000 ]  - [  -0.0004929800000000, -0.0017655500000000,  0.0000094400000000 ]  - [   0.0012003200000000,  0.0035578200000000,  0.0023053300000000 ]  - [  -0.0005242400000000,  0.0017624300000000,  0.0000009500000000 ]  - [  -0.0005339800000000,  0.0016980400000000, -0.0000031100000000 ]  - [  -0.0004905100000000,  0.0017686900000000, -0.0000000500000000 ]  - [  -0.0021684400000000, -0.0000073500000000,  0.0022900900000000 ]  - [  -0.0004617700000000,  0.0017682900000000,  0.0000008700000000 ]  - [  -0.0004521500000000,  0.0018323500000000, -0.0000031600000000 ]  - [  -0.0004954500000000,  0.0017618700000000, -0.0000000800000000 ]  - [   0.0004067600000000,  0.0017617800000000,  0.0000157100000000 ]  - [   0.0005877800000000,  0.0018207900000000,  0.0000146200000000 ]  - [   0.0005132700000000,  0.0017713100000000, -0.0000055900000000 ]  - [   0.0005114500000000,  0.0017230700000000, -0.0000053400000000 ]  - [   0.0005799200000000,  0.0017686000000000,  0.0000149100000000 ]  - [   0.0003990800000000,  0.0017097100000000,  0.0000159700000000 ]  - [   0.0004727400000000,  0.0017593300000000, -0.0000053900000000 ]  - [   0.0004746400000000,  0.0018073500000000, -0.0000056100000000 ]  - [  -0.0000057700000000, -0.0000227400000000,  0.0000053300000000 ]  - [  -0.0005132300000000,  0.0001308400000000,  0.0003145300000000 ]  - [  -0.0000081700000000, -0.0000125200000000, -0.0000146600000000 ]  - [   0.0000226500000000, -0.0000230300000000, -0.0000226000000000 ]  - [   0.0000092800000000,  0.0000239200000000, -0.0000035100000000 ]  - [  -0.0000992400000000,  0.0001665800000000,  0.0000392900000000 ]  - [   0.0000103900000000,  0.0000132100000000,  0.0000150400000000 ]  - [  -0.0000251700000000,  0.0000225900000000,  0.0000236600000000 ]  - [   0.0000057600000000,  0.0000231500000000,  0.0000051600000000 ]  - [   0.0005221400000000, -0.0001296100000000,  0.0003120400000000 ]  - [   0.0000082200000000,  0.0000130800000000, -0.0000149900000000 ]  - [  -0.0000228000000000,  0.0000232900000000, -0.0000230700000000 ]  - [  -0.0000092000000000, -0.0000242700000000, -0.0000038700000000 ]  - [   0.0000969100000000, -0.0001668300000000,  0.0000410100000000 ]  - [  -0.0000103000000000, -0.0000123900000000,  0.0000146200000000 ]  - [   0.0000249600000000, -0.0000221800000000,  0.0000234400000000 ]  - [   0.0000584700000000, -0.0000266700000000,  0.0000471100000000 ]  - [   0.0000034200000000, -0.0000096800000000, -0.0000014100000000 ]  - [   0.0006367800000000, -0.0020939000000000, -0.0001059300000000 ]  - [  -0.0000014000000000, -0.0000041400000000, -0.0000020500000000 ]  - [   0.0000021700000000,  0.0000460700000000, -0.0000255400000000 ]  - [  -0.0000073800000000,  0.0000104500000000,  0.0000015800000000 ]  - [  -0.0000232100000000,  0.0002534200000000,  0.0005588300000000 ]  - [  -0.0000007700000000,  0.0000034700000000,  0.0000018200000000 ]  - [  -0.0000578800000000,  0.0000284700000000,  0.0000463800000000 ]  - [  -0.0000034000000000,  0.0000094300000000, -0.0000014200000000 ]  - [  -0.0006407500000000,  0.0021048400000000, -0.0001125400000000 ]  - [   0.0000015800000000,  0.0000041300000000, -0.0000018800000000 ]  - [  -0.0000014200000000, -0.0000460700000000, -0.0000253300000000 ]  - [   0.0000073200000000, -0.0000106100000000,  0.0000017200000000 ]  - [   0.0000149900000000, -0.0002575200000000,  0.0005547200000000 ]  - [   0.0000005900000000, -0.0000040100000000,  0.0000025100000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0043512300000000,  0.0033650100000000, -0.0000472100000000 ]  - [   0.0001263500000000,  0.0034417300000000,  0.0000003200000000 ]  - [  -0.0001884100000000,  0.0034418100000000, -0.0000002400000000 ]  - [   0.0001102200000000,  0.0034414500000000,  0.0000002700000000 ]  - [  -0.0003277900000000,  0.0034389400000000,  0.0000025100000000 ]  - [   0.0001295200000000,  0.0034415100000000,  0.0000002300000000 ]  - [  -0.0001408200000000,  0.0034408000000000,  0.0000001900000000 ]  - [   0.0000979100000000,  0.0034417400000000,  0.0000002200000000 ]  - [  -0.0003277900000000, -0.0034389400000000, -0.0000025100000000 ]  - [   0.0001295200000000, -0.0034415100000000, -0.0000002300000000 ]  - [  -0.0001408200000000, -0.0034408000000000, -0.0000001900000000 ]  - [   0.0000979100000000, -0.0034417400000000, -0.0000002200000000 ]  - [   0.0043512300000000, -0.0033650100000000,  0.0000472100000000 ]  - [   0.0001263500000000, -0.0034417300000000, -0.0000003200000000 ]  - [  -0.0001884100000000, -0.0034418100000000,  0.0000002400000000 ]  - [   0.0001102200000000, -0.0034414500000000, -0.0000002700000000 ]  - [   0.0002952400000000,  0.0031474200000000,  0.0001499400000000 ]  - [   0.0002936000000000,  0.0037328000000000, -0.0001485500000000 ]  - [   0.0000758700000000,  0.0035184200000000,  0.0000137800000000 ]  - [   0.0000765200000000,  0.0033643700000000, -0.0000133900000000 ]  - [   0.0001475000000000,  0.0034265500000000, -0.0001250300000000 ]  - [   0.0001476400000000,  0.0034559300000000,  0.0001251900000000 ]  - [  -0.0000308500000000,  0.0035372600000000, -0.0000339900000000 ]  - [  -0.0000306600000000,  0.0033464200000000,  0.0000343500000000 ]  - [   0.0001475000000000, -0.0034265500000000,  0.0001250300000000 ]  - [   0.0001476400000000, -0.0034559300000000, -0.0001251900000000 ]  - [  -0.0000308500000000, -0.0035372600000000,  0.0000339900000000 ]  - [  -0.0000306600000000, -0.0033464200000000, -0.0000343500000000 ]  - [   0.0002952400000000, -0.0031474200000000, -0.0001499400000000 ]  - [   0.0002936000000000, -0.0037328000000000,  0.0001485500000000 ]  - [   0.0000758700000000, -0.0035184200000000, -0.0000137800000000 ]  - [   0.0000765200000000, -0.0033643700000000,  0.0000133900000000 ]  - [   0.0003525700000000, -0.0017643700000000, -0.0000056900000000 ]  - [   0.0016529300000000, -0.0022274500000000, -0.0005074600000000 ]  - [   0.0004230700000000, -0.0017497000000000, -0.0000081000000000 ]  - [   0.0005449100000000, -0.0017900200000000,  0.0000229700000000 ]  - [   0.0004251600000000, -0.0017634800000000,  0.0000093100000000 ]  - [   0.0005333400000000, -0.0017516600000000, -0.0000969900000000 ]  - [   0.0004240900000000, -0.0017516100000000,  0.0000104000000000 ]  - [   0.0005486700000000, -0.0018095000000000, -0.0000253000000000 ]  - [   0.0007119600000000, -0.0012892100000000,  0.0005283800000000 ]  - [  -0.0006331900000000, -0.0017667300000000,  0.0000056500000000 ]  - [  -0.0004416200000000, -0.0017408900000000, -0.0000227600000000 ]  - [  -0.0005634900000000, -0.0017812500000000,  0.0000083200000000 ]  - [  -0.0004528100000000, -0.0017792000000000,  0.0000986900000000 ]  - [  -0.0005612400000000, -0.0017667400000000, -0.0000092200000000 ]  - [  -0.0004381100000000, -0.0017215800000000,  0.0000251000000000 ]  - [  -0.0005625300000000, -0.0017794000000000, -0.0000104500000000 ]  - [  -0.0004528100000000,  0.0017792000000000, -0.0000986900000000 ]  - [  -0.0005612400000000,  0.0017667400000000,  0.0000092200000000 ]  - [  -0.0004381100000000,  0.0017215800000000, -0.0000251000000000 ]  - [  -0.0005625300000000,  0.0017794000000000,  0.0000104500000000 ]  - [   0.0007119600000000,  0.0012892100000000, -0.0005283800000000 ]  - [  -0.0006331900000000,  0.0017667300000000, -0.0000056500000000 ]  - [  -0.0004416200000000,  0.0017408900000000,  0.0000227600000000 ]  - [  -0.0005634900000000,  0.0017812500000000, -0.0000083200000000 ]  - [   0.0004251600000000,  0.0017634800000000, -0.0000093100000000 ]  - [   0.0005333400000000,  0.0017516600000000,  0.0000969900000000 ]  - [   0.0004240900000000,  0.0017516100000000, -0.0000104000000000 ]  - [   0.0005486700000000,  0.0018095000000000,  0.0000253000000000 ]  - [   0.0003525700000000,  0.0017643700000000,  0.0000056900000000 ]  - [   0.0016529300000000,  0.0022274500000000,  0.0005074600000000 ]  - [   0.0004230700000000,  0.0017497000000000,  0.0000081000000000 ]  - [   0.0005449100000000,  0.0017900200000000, -0.0000229700000000 ]  - [   0.0014261300000000, -0.0030080000000000,  0.0006434200000000 ]  - [   0.0004180400000000, -0.0017617200000000, -0.0000015400000000 ]  - [   0.0007639800000000, -0.0016598200000000,  0.0000583700000000 ]  - [   0.0004059000000000, -0.0017560100000000,  0.0000033300000000 ]  - [   0.0007667700000000, -0.0018822200000000, -0.0000196700000000 ]  - [   0.0004099800000000, -0.0017657600000000, -0.0000006200000000 ]  - [   0.0005751400000000, -0.0018044900000000,  0.0000020000000000 ]  - [   0.0004125100000000, -0.0017488300000000, -0.0000074600000000 ]  - [  -0.0005684700000000, -0.0017691900000000,  0.0000015100000000 ]  - [   0.0004367500000000, -0.0005359400000000, -0.0006341300000000 ]  - [  -0.0005804700000000, -0.0017751800000000, -0.0000031700000000 ]  - [  -0.0002212300000000, -0.0018712600000000, -0.0000578900000000 ]  - [  -0.0005764300000000, -0.0017653100000000,  0.0000006100000000 ]  - [  -0.0002184100000000, -0.0016504800000000,  0.0000184500000000 ]  - [  -0.0005741600000000, -0.0017822800000000,  0.0000073500000000 ]  - [  -0.0004117600000000, -0.0017258700000000, -0.0000017400000000 ]  - [  -0.0005764300000000,  0.0017653100000000, -0.0000006100000000 ]  - [  -0.0002184100000000,  0.0016504800000000, -0.0000184500000000 ]  - [  -0.0005741600000000,  0.0017822800000000, -0.0000073500000000 ]  - [  -0.0004117600000000,  0.0017258700000000,  0.0000017400000000 ]  - [  -0.0005684700000000,  0.0017691900000000, -0.0000015100000000 ]  - [   0.0004367500000000,  0.0005359400000000,  0.0006341300000000 ]  - [  -0.0005804700000000,  0.0017751800000000,  0.0000031700000000 ]  - [  -0.0002212300000000,  0.0018712600000000,  0.0000578900000000 ]  - [   0.0007667700000000,  0.0018822200000000,  0.0000196700000000 ]  - [   0.0004099800000000,  0.0017657600000000,  0.0000006200000000 ]  - [   0.0005751400000000,  0.0018044900000000, -0.0000020000000000 ]  - [   0.0004125100000000,  0.0017488300000000,  0.0000074600000000 ]  - [   0.0014261300000000,  0.0030080000000000, -0.0006434200000000 ]  - [   0.0004180400000000,  0.0017617200000000,  0.0000015400000000 ]  - [   0.0007639800000000,  0.0016598200000000, -0.0000583700000000 ]  - [   0.0004059000000000,  0.0017560100000000, -0.0000033300000000 ]  - [  -0.0201589200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000762300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001284800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000532000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000520700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000647600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002481900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000446800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000047200000000,  0.0000059000000000, -0.0000202600000000 ]  - [   0.0000606500000000,  0.0000001100000000,  0.0000000200000000 ]  - [  -0.0001227500000000, -0.0000004500000000,  0.0000002300000000 ]  - [   0.0000479400000000, -0.0000001700000000,  0.0000000500000000 ]  - [   0.0000047200000000, -0.0000059000000000,  0.0000202600000000 ]  - [   0.0000606500000000, -0.0000001100000000, -0.0000000200000000 ]  - [  -0.0001227500000000,  0.0000004500000000, -0.0000002300000000 ]  - [   0.0000479400000000,  0.0000001700000000, -0.0000000500000000 ]  - [   0.0001098800000000, -0.0000101600000000,  0.0000618900000000 ]  - [   0.0001095000000000,  0.0000099300000000, -0.0000613500000000 ]  - [   0.0001098800000000,  0.0000101600000000, -0.0000618900000000 ]  - [   0.0001095000000000, -0.0000099300000000,  0.0000613500000000 ]  - [   0.0000223900000000,  0.0000327400000000,  0.0000185200000000 ]  - [   0.0000224400000000, -0.0000328000000000, -0.0000186900000000 ]  - [   0.0000223900000000, -0.0000327400000000, -0.0000185200000000 ]  - [   0.0000224400000000,  0.0000328000000000,  0.0000186900000000 ]  - [   0.0000898800000000,  0.0000721800000000, -0.0000480800000000 ]  - [   0.0000894100000000, -0.0000718000000000,  0.0000479900000000 ]  - [   0.0000894600000000,  0.0000241700000000,  0.0000370000000000 ]  - [   0.0000898100000000, -0.0000242600000000, -0.0000368100000000 ]  - [   0.0000894600000000, -0.0000241700000000, -0.0000370000000000 ]  - [   0.0000898100000000,  0.0000242600000000,  0.0000368100000000 ]  - [   0.0000898800000000, -0.0000721800000000,  0.0000480800000000 ]  - [   0.0000894100000000,  0.0000718000000000, -0.0000479900000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0366545000000000,  0.0226360700000000 ]  - [   0.0000000000000000,  0.0034624400000000,  0.0000229900000000 ]  - [   0.0000000000000000,  0.0033745300000000,  0.0002290800000000 ]  - [   0.0000000000000000,  0.0034326200000000,  0.0000114000000000 ]  - [   0.0000000000000000,  0.0039462300000000, -0.0010815500000000 ]  - [   0.0000000000000000,  0.0034569300000000, -0.0000230100000000 ]  - [   0.0000000000000000,  0.0030301500000000, -0.0002666100000000 ]  - [   0.0000000000000000,  0.0034127600000000, -0.0000115200000000 ]  - [   0.0000000000000000, -0.0029296700000000, -0.0010770600000000 ]  - [   0.0000000000000000, -0.0034262600000000, -0.0000234000000000 ]  - [   0.0000000000000000, -0.0038507600000000, -0.0002673200000000 ]  - [   0.0000000000000000, -0.0034708000000000, -0.0000119800000000 ]  - [   0.0000000000000000,  0.0287053900000000,  0.0215476800000000 ]  - [   0.0000000000000000, -0.0034212300000000,  0.0000224600000000 ]  - [   0.0000000000000000, -0.0035096400000000,  0.0002296000000000 ]  - [   0.0000000000000000, -0.0034507400000000,  0.0000109000000000 ]  - [  -0.0000787000000000,  0.0035684000000000,  0.0001254400000000 ]  - [   0.0000787000000000,  0.0035684000000000,  0.0001254400000000 ]  - [  -0.0000697100000000,  0.0033735800000000,  0.0000345100000000 ]  - [   0.0000697100000000,  0.0033735800000000,  0.0000345100000000 ]  - [   0.0002025700000000,  0.0034395100000000, -0.0001337100000000 ]  - [  -0.0002025700000000,  0.0034395100000000, -0.0001337100000000 ]  - [   0.0000233000000000,  0.0033993600000000, -0.0000457500000000 ]  - [  -0.0000233000000000,  0.0033993600000000, -0.0000457500000000 ]  - [  -0.0002025200000000, -0.0034440600000000, -0.0001345600000000 ]  - [   0.0002025200000000, -0.0034440600000000, -0.0001345600000000 ]  - [  -0.0000231800000000, -0.0034836300000000, -0.0000463300000000 ]  - [   0.0000231800000000, -0.0034836300000000, -0.0000463300000000 ]  - [   0.0000789700000000, -0.0033158800000000,  0.0001251300000000 ]  - [  -0.0000789700000000, -0.0033158800000000,  0.0001251300000000 ]  - [   0.0000697700000000, -0.0035095200000000,  0.0000340300000000 ]  - [  -0.0000697700000000, -0.0035095200000000,  0.0000340300000000 ]  - [   0.0005483000000000, -0.0017782300000000, -0.0000228600000000 ]  - [  -0.0008545400000000, -0.0017855300000000,  0.0001323500000000 ]  - [   0.0004917100000000, -0.0017489400000000, -0.0000129000000000 ]  - [   0.0004926700000000, -0.0017433300000000, -0.0000234100000000 ]  - [   0.0004855200000000, -0.0017960400000000,  0.0000245300000000 ]  - [   0.0006652200000000, -0.0018721900000000,  0.0001666300000000 ]  - [   0.0004859100000000, -0.0017403000000000,  0.0000130800000000 ]  - [   0.0004995800000000, -0.0017207100000000,  0.0000224100000000 ]  - [   0.0008545400000000, -0.0017855300000000,  0.0001323500000000 ]  - [  -0.0005483000000000, -0.0017782300000000, -0.0000228600000000 ]  - [  -0.0004926700000000, -0.0017433300000000, -0.0000234100000000 ]  - [  -0.0004917100000000, -0.0017489400000000, -0.0000129000000000 ]  - [  -0.0006652200000000, -0.0018721900000000,  0.0001666300000000 ]  - [  -0.0004855200000000, -0.0017960400000000,  0.0000245300000000 ]  - [  -0.0004995800000000, -0.0017207100000000,  0.0000224100000000 ]  - [  -0.0004859100000000, -0.0017403000000000,  0.0000130800000000 ]  - [  -0.0003237800000000,  0.0016578500000000,  0.0001666400000000 ]  - [  -0.0005040800000000,  0.0017338000000000,  0.0000246100000000 ]  - [  -0.0004907200000000,  0.0018098800000000,  0.0000224700000000 ]  - [  -0.0005038800000000,  0.0017903000000000,  0.0000131300000000 ]  - [  -0.0018322200000000,  0.0017465700000000,  0.0001280500000000 ]  - [  -0.0004417700000000,  0.0017523800000000, -0.0000228600000000 ]  - [  -0.0004974000000000,  0.0017871100000000, -0.0000234100000000 ]  - [  -0.0004980500000000,  0.0017816400000000, -0.0000129900000000 ]  - [   0.0005040800000000,  0.0017338000000000,  0.0000246100000000 ]  - [   0.0003237800000000,  0.0016578500000000,  0.0001666400000000 ]  - [   0.0005038800000000,  0.0017903000000000,  0.0000131300000000 ]  - [   0.0004907200000000,  0.0018098800000000,  0.0000224700000000 ]  - [   0.0004417700000000,  0.0017523800000000, -0.0000228600000000 ]  - [   0.0018322200000000,  0.0017465700000000,  0.0001280500000000 ]  - [   0.0004980500000000,  0.0017816400000000, -0.0000129900000000 ]  - [   0.0004974000000000,  0.0017871100000000, -0.0000234100000000 ]  - [  -0.0011182800000000,  0.0003747100000000, -0.0020771500000000 ]  - [   0.0005087900000000, -0.0017698500000000, -0.0000041800000000 ]  - [   0.0006778000000000, -0.0012462300000000, -0.0000266500000000 ]  - [   0.0004732400000000, -0.0017628500000000, -0.0000097200000000 ]  - [   0.0004007500000000, -0.0017170700000000,  0.0002554900000000 ]  - [   0.0005157800000000, -0.0017658100000000,  0.0000041800000000 ]  - [   0.0004323600000000, -0.0017956900000000,  0.0000463800000000 ]  - [   0.0004844600000000, -0.0017573400000000,  0.0000106600000000 ]  - [  -0.0005087900000000, -0.0017698500000000, -0.0000041800000000 ]  - [   0.0011182800000000,  0.0003747100000000, -0.0020771500000000 ]  - [  -0.0004732400000000, -0.0017628500000000, -0.0000097200000000 ]  - [  -0.0006778000000000, -0.0012462300000000, -0.0000266500000000 ]  - [  -0.0005157800000000, -0.0017658100000000,  0.0000041800000000 ]  - [  -0.0004007500000000, -0.0017170700000000,  0.0002554900000000 ]  - [  -0.0004844600000000, -0.0017573400000000,  0.0000106600000000 ]  - [  -0.0004323600000000, -0.0017956900000000,  0.0000463800000000 ]  - [  -0.0004741000000000,  0.0017644000000000,  0.0000035300000000 ]  - [  -0.0005890700000000,  0.0018167200000000,  0.0002556400000000 ]  - [  -0.0005053400000000,  0.0017732200000000,  0.0000107400000000 ]  - [  -0.0005576900000000,  0.0017343900000000,  0.0000459400000000 ]  - [  -0.0004810700000000,  0.0017606200000000, -0.0000041500000000 ]  - [  -0.0021506400000000,  0.0039574100000000, -0.0021222500000000 ]  - [  -0.0005164300000000,  0.0017677700000000, -0.0000098000000000 ]  - [  -0.0003120700000000,  0.0022824100000000, -0.0000286700000000 ]  - [   0.0005890700000000,  0.0018167200000000,  0.0002556400000000 ]  - [   0.0004741000000000,  0.0017644000000000,  0.0000035300000000 ]  - [   0.0005576900000000,  0.0017343900000000,  0.0000459400000000 ]  - [   0.0005053400000000,  0.0017732200000000,  0.0000107400000000 ]  - [   0.0021506400000000,  0.0039574100000000, -0.0021222500000000 ]  - [   0.0004810700000000,  0.0017606200000000, -0.0000041500000000 ]  - [   0.0003120700000000,  0.0022824100000000, -0.0000286700000000 ]  - [   0.0005164300000000,  0.0017677700000000, -0.0000098000000000 ]  - [   0.0000000000000000, -0.0735033300000000, -0.0420805900000000 ]  - [   0.0000000000000000, -0.0000149300000000, -0.0000065700000000 ]  - [   0.0000000000000000, -0.0000213000000000,  0.0000205000000000 ]  - [   0.0000000000000000, -0.0000019700000000,  0.0000020700000000 ]  - [   0.0000000000000000,  0.0006823200000000,  0.0003796200000000 ]  - [   0.0000000000000000,  0.0000046100000000, -0.0000083100000000 ]  - [   0.0000000000000000,  0.0001124800000000,  0.0000694500000000 ]  - [   0.0000000000000000,  0.0000098000000000,  0.0000104300000000 ]  - [   0.0000000000000000, -0.0017238200000000,  0.0029616900000000 ]  - [   0.0000000000000000, -0.0000043400000000,  0.0000073300000000 ]  - [   0.0000000000000000,  0.0000246900000000, -0.0000615200000000 ]  - [   0.0000000000000000,  0.0000031300000000, -0.0000062400000000 ]  - [   0.0000000000000000, -0.0017158800000000,  0.0030210500000000 ]  - [   0.0000000000000000, -0.0000048300000000,  0.0000075700000000 ]  - [   0.0000000000000000,  0.0000257500000000, -0.0000614500000000 ]  - [   0.0000000000000000,  0.0000037300000000, -0.0000064300000000 ]  - [  -0.0000100000000000, -0.0000347900000000, -0.0000132400000000 ]  - [   0.0000100000000000, -0.0000347900000000, -0.0000132400000000 ]  - [   0.0000101300000000, -0.0000348200000000, -0.0000132300000000 ]  - [  -0.0000101300000000, -0.0000348200000000, -0.0000132300000000 ]  - [   0.0000326000000000,  0.0000522500000000,  0.0000259000000000 ]  - [  -0.0000326000000000,  0.0000522500000000,  0.0000259000000000 ]  - [  -0.0000326800000000,  0.0000526300000000,  0.0000262300000000 ]  - [   0.0000326800000000,  0.0000526300000000,  0.0000262300000000 ]  - [  -0.0000242000000000, -0.0000002500000000,  0.0000149200000000 ]  - [   0.0000242000000000, -0.0000002500000000,  0.0000149200000000 ]  - [  -0.0000719900000000, -0.0000000100000000, -0.0000288800000000 ]  - [   0.0000719900000000, -0.0000000100000000, -0.0000288800000000 ]  - [   0.0000718800000000, -0.0000000500000000, -0.0000288000000000 ]  - [  -0.0000718800000000, -0.0000000500000000, -0.0000288000000000 ]  - [   0.0000245100000000, -0.0000000700000000,  0.0000147100000000 ]  - [  -0.0000245100000000, -0.0000000700000000,  0.0000147100000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0296980100000000,  0.0211613500000000 ]  - [   0.0000000000000000,  0.0034775900000000, -0.0000026100000000 ]  - [   0.0000000000000000,  0.0030266300000000,  0.0002012300000000 ]  - [   0.0000000000000000,  0.0034053700000000,  0.0000084500000000 ]  - [   0.0000000000000000,  0.0034213200000000,  0.0007293600000000 ]  - [   0.0000000000000000,  0.0034682200000000, -0.0000012700000000 ]  - [   0.0000000000000000,  0.0031105200000000, -0.0001861700000000 ]  - [   0.0000000000000000,  0.0034084500000000, -0.0000120300000000 ]  - [   0.0000000000000000, -0.0034621900000000,  0.0007488300000000 ]  - [   0.0000000000000000, -0.0034117100000000, -0.0000016000000000 ]  - [   0.0000000000000000, -0.0037664500000000, -0.0001860600000000 ]  - [   0.0000000000000000, -0.0034720300000000, -0.0000124600000000 ]  - [   0.0000000000000000,  0.0220062100000000,  0.0208081000000000 ]  - [   0.0000000000000000, -0.0034026900000000, -0.0000031500000000 ]  - [   0.0000000000000000, -0.0038550500000000,  0.0002011300000000 ]  - [   0.0000000000000000, -0.0034747200000000,  0.0000078800000000 ]  - [   0.0001186200000000,  0.0035158800000000,  0.0000997800000000 ]  - [  -0.0001186200000000,  0.0035158800000000,  0.0000997800000000 ]  - [  -0.0001321600000000,  0.0033525700000000,  0.0000040600000000 ]  - [   0.0001321600000000,  0.0033525700000000,  0.0000040600000000 ]  - [   0.0000789100000000,  0.0034442000000000, -0.0001065700000000 ]  - [  -0.0000789100000000,  0.0034442000000000, -0.0001065700000000 ]  - [   0.0000079200000000,  0.0033752400000000, -0.0000064200000000 ]  - [  -0.0000079200000000,  0.0033752400000000, -0.0000064200000000 ]  - [  -0.0000791000000000, -0.0034367500000000, -0.0001072100000000 ]  - [   0.0000791000000000, -0.0034367500000000, -0.0001072100000000 ]  - [  -0.0000076700000000, -0.0035044800000000, -0.0000069500000000 ]  - [   0.0000076700000000, -0.0035044800000000, -0.0000069500000000 ]  - [  -0.0001185600000000, -0.0033649700000000,  0.0000993000000000 ]  - [   0.0001185600000000, -0.0033649700000000,  0.0000993000000000 ]  - [   0.0001326700000000, -0.0035273800000000,  0.0000035000000000 ]  - [  -0.0001326700000000, -0.0035273800000000,  0.0000035000000000 ]  - [   0.0005356800000000, -0.0018016800000000,  0.0000030200000000 ]  - [  -0.0009168100000000, -0.0017148200000000,  0.0003110800000000 ]  - [   0.0004861600000000, -0.0017254500000000, -0.0000170900000000 ]  - [   0.0005107700000000, -0.0016845700000000, -0.0000248000000000 ]  - [   0.0004933300000000, -0.0017961000000000, -0.0000057400000000 ]  - [   0.0005962600000000, -0.0018863800000000,  0.0000385500000000 ]  - [   0.0004850400000000, -0.0017355900000000,  0.0000128800000000 ]  - [   0.0004920100000000, -0.0017162700000000,  0.0000216400000000 ]  - [   0.0009168100000000, -0.0017148200000000,  0.0003110800000000 ]  - [  -0.0005356800000000, -0.0018016800000000,  0.0000030200000000 ]  - [  -0.0005107700000000, -0.0016845700000000, -0.0000248000000000 ]  - [  -0.0004861600000000, -0.0017254500000000, -0.0000170900000000 ]  - [  -0.0005962600000000, -0.0018863800000000,  0.0000385500000000 ]  - [  -0.0004933300000000, -0.0017961000000000, -0.0000057400000000 ]  - [  -0.0004920100000000, -0.0017162700000000,  0.0000216400000000 ]  - [  -0.0004850400000000, -0.0017355900000000,  0.0000128800000000 ]  - [  -0.0003923800000000,  0.0016430700000000,  0.0000378400000000 ]  - [  -0.0004963700000000,  0.0017338000000000, -0.0000056500000000 ]  - [  -0.0004986400000000,  0.0018143700000000,  0.0000216900000000 ]  - [  -0.0005048100000000,  0.0017950900000000,  0.0000128400000000 ]  - [  -0.0018923400000000,  0.0018107900000000,  0.0003110400000000 ]  - [  -0.0004542800000000,  0.0017289500000000,  0.0000030400000000 ]  - [  -0.0004795000000000,  0.0018461000000000, -0.0000247600000000 ]  - [  -0.0005036200000000,  0.0018052800000000, -0.0000170900000000 ]  - [   0.0004963700000000,  0.0017338000000000, -0.0000056500000000 ]  - [   0.0003923800000000,  0.0016430700000000,  0.0000378400000000 ]  - [   0.0005048100000000,  0.0017950900000000,  0.0000128400000000 ]  - [   0.0004986400000000,  0.0018143700000000,  0.0000216900000000 ]  - [   0.0004542800000000,  0.0017289500000000,  0.0000030400000000 ]  - [   0.0018923400000000,  0.0018107900000000,  0.0003110400000000 ]  - [   0.0005036200000000,  0.0018052800000000, -0.0000170900000000 ]  - [   0.0004795000000000,  0.0018461000000000, -0.0000247600000000 ]  - [   0.0008803000000000, -0.0028597400000000, -0.0001108300000000 ]  - [   0.0005149400000000, -0.0017699600000000, -0.0000042200000000 ]  - [   0.0006322000000000, -0.0015945100000000,  0.0000452300000000 ]  - [   0.0004675200000000, -0.0017614000000000, -0.0000034600000000 ]  - [   0.0003451900000000, -0.0015443700000000,  0.0005550400000000 ]  - [   0.0005143900000000, -0.0017729400000000,  0.0000002900000000 ]  - [   0.0004747900000000, -0.0017626900000000, -0.0000275400000000 ]  - [   0.0004769800000000, -0.0017537900000000, -0.0000004200000000 ]  - [  -0.0005149400000000, -0.0017699600000000, -0.0000042200000000 ]  - [  -0.0008803000000000, -0.0028597400000000, -0.0001108300000000 ]  - [  -0.0004675200000000, -0.0017614000000000, -0.0000034600000000 ]  - [  -0.0006322000000000, -0.0015945100000000,  0.0000452300000000 ]  - [  -0.0005143900000000, -0.0017729400000000,  0.0000002900000000 ]  - [  -0.0003451900000000, -0.0015443700000000,  0.0005550400000000 ]  - [  -0.0004769800000000, -0.0017537900000000, -0.0000004200000000 ]  - [  -0.0004747900000000, -0.0017626900000000, -0.0000275400000000 ]  - [  -0.0004756000000000,  0.0017574100000000, -0.0000003500000000 ]  - [  -0.0006448600000000,  0.0019915700000000,  0.0005547600000000 ]  - [  -0.0005128500000000,  0.0017768300000000, -0.0000003300000000 ]  - [  -0.0005150100000000,  0.0017672300000000, -0.0000272700000000 ]  - [  -0.0004750000000000,  0.0017606600000000, -0.0000041500000000 ]  - [  -0.0001153400000000,  0.0006807100000000, -0.0001116700000000 ]  - [  -0.0005222900000000,  0.0017692400000000, -0.0000035200000000 ]  - [  -0.0003554900000000,  0.0019384600000000,  0.0000436300000000 ]  - [   0.0006448600000000,  0.0019915700000000,  0.0005547600000000 ]  - [   0.0004756000000000,  0.0017574100000000, -0.0000003500000000 ]  - [   0.0005150100000000,  0.0017672300000000, -0.0000272700000000 ]  - [   0.0005128500000000,  0.0017768300000000, -0.0000003300000000 ]  - [   0.0001153400000000,  0.0006807100000000, -0.0001116700000000 ]  - [   0.0004750000000000,  0.0017606600000000, -0.0000041500000000 ]  - [   0.0003554900000000,  0.0019384600000000,  0.0000436300000000 ]  - [   0.0005222900000000,  0.0017692400000000, -0.0000035200000000 ]  - [   0.0000000000000000, -0.0420759100000000, -0.0671152600000000 ]  - [   0.0000000000000000, -0.0000067900000000, -0.0000161200000000 ]  - [   0.0000000000000000,  0.0000220600000000,  0.0001040800000000 ]  - [   0.0000000000000000,  0.0000019200000000,  0.0000093600000000 ]  - [   0.0000000000000000,  0.0003794200000000, -0.0008627200000000 ]  - [   0.0000000000000000, -0.0000083000000000, -0.0000129000000000 ]  - [   0.0000000000000000,  0.0000695900000000,  0.0000444100000000 ]  - [   0.0000000000000000,  0.0000107000000000,  0.0000100800000000 ]  - [   0.0000000000000000, -0.0030080800000000,  0.0110008500000000 ]  - [   0.0000000000000000, -0.0000073400000000,  0.0000106400000000 ]  - [   0.0000000000000000,  0.0000609600000000, -0.0000719500000000 ]  - [   0.0000000000000000,  0.0000059800000000, -0.0000139100000000 ]  - [   0.0000000000000000, -0.0029750400000000,  0.0104238000000000 ]  - [   0.0000000000000000, -0.0000078000000000,  0.0000107500000000 ]  - [   0.0000000000000000,  0.0000620800000000, -0.0000724000000000 ]  - [   0.0000000000000000,  0.0000065700000000, -0.0000141200000000 ]  - [   0.0000614600000000, -0.0000133600000000,  0.0000011700000000 ]  - [  -0.0000614600000000, -0.0000133600000000,  0.0000011700000000 ]  - [  -0.0000617000000000, -0.0000132900000000,  0.0000011500000000 ]  - [   0.0000617000000000, -0.0000132900000000,  0.0000011500000000 ]  - [   0.0000184100000000,  0.0000257300000000,  0.0000105600000000 ]  - [  -0.0000184100000000,  0.0000257300000000,  0.0000105600000000 ]  - [  -0.0000184400000000,  0.0000261500000000,  0.0000109800000000 ]  - [   0.0000184400000000,  0.0000261500000000,  0.0000109800000000 ]  - [   0.0000368700000000,  0.0000285600000000, -0.0000085700000000 ]  - [  -0.0000368700000000,  0.0000285600000000, -0.0000085700000000 ]  - [  -0.0000478200000000, -0.0000146600000000, -0.0000088900000000 ]  - [   0.0000478200000000, -0.0000146600000000, -0.0000088900000000 ]  - [   0.0000480500000000, -0.0000150600000000, -0.0000086500000000 ]  - [  -0.0000480500000000, -0.0000150600000000, -0.0000086500000000 ]  - [  -0.0000367200000000,  0.0000286000000000, -0.0000087200000000 ]  - [   0.0000367200000000,  0.0000286000000000, -0.0000087200000000 ]