# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f0b06823-cae6-462a-9bb0-c3af97e5a07b/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 K3Cu3As2 / R-3m (166) / materials id 14205](https://mdr.nims.go.jp/datasets/a72b10c8-0919-41e2-8d21-7b0a70283c9a)

## 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: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.846048650000003,     1.643166953333332,     6.785288413333326 ] # a  - [    -2.846048649999997,     1.643166953333332,     6.785288413333326 ] # b  - [     0.000000000000003,    -3.286333906666668,     6.785288413333326 ] # c  points:  - symbol: K  # 1    coordinates: [  0.089237470000000,  0.089237460000001,  0.089237470000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.910762530000000,  0.910762540000002,  0.910762530000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.500000000000000,  0.500000000000001,  0.500000000000000 ]    mass: 39.098300  - symbol: Cu # 4    coordinates: [  0.500000000000000,  0.499999990000001,  0.000000000000000 ]    mass: 63.546000  - symbol: Cu # 5    coordinates: [  0.000000000000000,  0.499999990000001,  0.500000000000000 ]    mass: 63.546000  - symbol: Cu # 6    coordinates: [  0.500000000000000,  0.999999990000001,  0.500000000000000 ]    mass: 63.546000  - symbol: As # 7    coordinates: [  0.747789530000000,  0.747789540000001,  0.747789530000000 ]    mass: 74.921600  - symbol: As # 8    coordinates: [  0.252210470000000,  0.252210460000002,  0.252210470000000 ]    mass: 74.921600  reciprocal_lattice: # without 2pi  - [     0.175682169031088,     0.101430147635678,     0.049125890165305 ] # a*  - [    -0.175682169031088,     0.101430147635678,     0.049125890165306 ] # b*  - [     0.000000000000000,    -0.202860295271355,     0.049125890165305 ] # c*unit_cell:  lattice:  - [     5.692097300000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.846048650000000,     4.929500860000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.355865240000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.422570800000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.577429200000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.755904130000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.910762530000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.089237470000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.244095870000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 39.098300    reduced_to: 3  - symbol: Cu # 10    coordinates: [  0.166666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 10  - symbol: Cu # 11    coordinates: [  0.666666670000000,  0.833333330000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 11  - symbol: Cu # 12    coordinates: [  0.166666670000000,  0.833333330000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 12  - symbol: Cu # 13    coordinates: [  0.833333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 10  - symbol: Cu # 14    coordinates: [  0.333333330000000,  0.166666670000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 11  - symbol: Cu # 15    coordinates: [  0.833333330000000,  0.166666670000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 12  - symbol: Cu # 16    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 10  - symbol: Cu # 17    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 11  - symbol: Cu # 18    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 12  - symbol: As # 19    coordinates: [  0.333333330000000,  0.666666670000000,  0.414456200000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 20    coordinates: [  0.666666670000000,  0.333333330000000,  0.585543800000000 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.747789530000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 22    coordinates: [  0.333333330000000,  0.666666670000000,  0.918877130000000 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 23    coordinates: [  0.666666670000000,  0.333333330000000,  0.081122870000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.252210470000000 ]    mass: 74.921600    reduced_to: 20supercell:  lattice:  - [    11.384194600000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.692097300000000,     9.859001720000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.355865240000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.333333335000000,  0.166666665000000,  0.422570800000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.833333335000000,  0.166666665000000,  0.422570800000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 3    coordinates: [  0.333333335000000,  0.666666665000000,  0.422570800000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 4    coordinates: [  0.833333335000000,  0.666666665000000,  0.422570800000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 5    coordinates: [  0.166666665000000,  0.333333335000000,  0.577429200000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.666666665000000,  0.333333335000000,  0.577429200000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 7    coordinates: [  0.166666665000000,  0.833333335000000,  0.577429200000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 8    coordinates: [  0.666666665000000,  0.833333335000000,  0.577429200000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 13    coordinates: [  0.166666665000000,  0.333333335000000,  0.755904130000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 14    coordinates: [  0.666666665000000,  0.333333335000000,  0.755904130000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 15    coordinates: [  0.166666665000000,  0.833333335000000,  0.755904130000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 16    coordinates: [  0.666666665000000,  0.833333335000000,  0.755904130000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.910762530000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.910762530000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.910762530000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.910762530000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 21    coordinates: [  0.333333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 22    coordinates: [  0.833333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 23    coordinates: [  0.333333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 24    coordinates: [  0.833333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.089237470000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.089237470000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 27    coordinates: [  0.000000000000000,  0.500000000000000,  0.089237470000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 28    coordinates: [  0.500000000000000,  0.500000000000000,  0.089237470000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 29    coordinates: [  0.333333335000000,  0.166666665000000,  0.244095870000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 30    coordinates: [  0.833333335000000,  0.166666665000000,  0.244095870000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 31    coordinates: [  0.333333335000000,  0.666666665000000,  0.244095870000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 32    coordinates: [  0.833333335000000,  0.666666665000000,  0.244095870000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 33    coordinates: [  0.166666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 34    coordinates: [  0.666666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 35    coordinates: [  0.166666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 36    coordinates: [  0.666666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 39.098300    reduced_to: 9  - symbol: Cu # 37    coordinates: [  0.083333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 38    coordinates: [  0.583333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 39    coordinates: [  0.083333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 40    coordinates: [  0.583333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 41    coordinates: [  0.333333335000000,  0.416666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 42    coordinates: [  0.833333335000000,  0.416666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 43    coordinates: [  0.333333335000000,  0.916666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 44    coordinates: [  0.833333335000000,  0.916666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 45    coordinates: [  0.083333335000000,  0.416666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 46    coordinates: [  0.583333335000000,  0.416666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 47    coordinates: [  0.083333335000000,  0.916666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 48    coordinates: [  0.583333335000000,  0.916666665000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 49    coordinates: [  0.416666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 50    coordinates: [  0.916666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 51    coordinates: [  0.416666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 52    coordinates: [  0.916666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 53    coordinates: [  0.166666665000000,  0.083333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 54    coordinates: [  0.666666665000000,  0.083333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 55    coordinates: [  0.166666665000000,  0.583333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 56    coordinates: [  0.666666665000000,  0.583333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 57    coordinates: [  0.416666665000000,  0.083333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 58    coordinates: [  0.916666665000000,  0.083333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 59    coordinates: [  0.416666665000000,  0.583333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 60    coordinates: [  0.916666665000000,  0.583333335000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 61    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 62    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 63    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 64    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 65    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 66    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 67    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 68    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 69    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 70    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 71    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 72    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: As # 73    coordinates: [  0.166666665000000,  0.333333335000000,  0.414456200000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 74    coordinates: [  0.666666665000000,  0.333333335000000,  0.414456200000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 75    coordinates: [  0.166666665000000,  0.833333335000000,  0.414456200000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 76    coordinates: [  0.666666665000000,  0.833333335000000,  0.414456200000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 77    coordinates: [  0.333333335000000,  0.166666665000000,  0.585543800000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 78    coordinates: [  0.833333335000000,  0.166666665000000,  0.585543800000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 79    coordinates: [  0.333333335000000,  0.666666665000000,  0.585543800000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 80    coordinates: [  0.833333335000000,  0.666666665000000,  0.585543800000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.747789530000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.747789530000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.747789530000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.747789530000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 85    coordinates: [  0.166666665000000,  0.333333335000000,  0.918877130000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 86    coordinates: [  0.666666665000000,  0.333333335000000,  0.918877130000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 87    coordinates: [  0.166666665000000,  0.833333335000000,  0.918877130000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 88    coordinates: [  0.666666665000000,  0.833333335000000,  0.918877130000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 89    coordinates: [  0.333333335000000,  0.166666665000000,  0.081122870000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 90    coordinates: [  0.833333335000000,  0.166666665000000,  0.081122870000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 91    coordinates: [  0.333333335000000,  0.666666665000000,  0.081122870000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 92    coordinates: [  0.833333335000000,  0.666666665000000,  0.081122870000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 93    coordinates: [  0.000000000000000,  0.000000000000000,  0.252210470000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 94    coordinates: [  0.500000000000000,  0.000000000000000,  0.252210470000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 95    coordinates: [  0.000000000000000,  0.500000000000000,  0.252210470000000 ]    mass: 74.921600    reduced_to: 77  - symbol: As # 96    coordinates: [  0.500000000000000,  0.500000000000000,  0.252210470000000 ]    mass: 74.921600    reduced_to: 77born_effective_charge:- # 1 (K)  - [  1.047466800000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.047466800000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.113316010000000 ]- # 2 (K)  - [  1.047466800000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.047466800000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.113316010000000 ]- # 3 (K)  - [  1.244733700000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.244733700000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.660014280000000 ]- # 4 (Cu)  - [ -0.555177970000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.858405680000000,  1.395149850000000 ]  - [  0.000000000000000,  0.460632550000000,  0.078799120000000 ]- # 5 (Cu)  - [  0.505009767499999,  0.612099675312731, -1.208235211545641 ]  - [  0.612099675961600, -0.201782057500000, -0.697574925000000 ]  - [ -0.398919490321447, -0.230316275000000,  0.078799120000000 ]- # 6 (Cu)  - [  0.505009767500001, -0.612099675312730,  1.208235211545641 ]  - [ -0.612099675961601, -0.201782057500000, -0.697574925000000 ]  - [  0.398919490321447, -0.230316274999999,  0.078799119999999 ]- # 7 (As)  - [ -1.897254430000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.897254430000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -2.061521830000000 ]- # 8 (As)  - [ -1.897254430000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.897254430000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -2.061521830000000 ]dielectric_constant:  - [ 10.331903700000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 10.331903690000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.303906680000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0268524500000000, -0.0001452300000000,  0.0001512400000000 ]  - [   0.0004373600000000,  0.0000036000000000,  0.0000768500000000 ]  - [   0.0000652900000000, -0.0002153400000000,  0.0001415400000000 ]  - [   0.0000650800000000,  0.0002137700000000,  0.0000110000000000 ]  - [   0.0003593600000000, -0.0002962700000000, -0.0007319100000000 ]  - [   0.0003598000000000,  0.0003004700000000,  0.0005840500000000 ]  - [  -0.0001560700000000,  0.0000014800000000, -0.0000770300000000 ]  - [   0.0000830800000000, -0.0000016100000000, -0.0000761300000000 ]  - [   0.0024657100000000,  0.0019319000000000, -0.0018178800000000 ]  - [   0.0024824900000000, -0.0019541700000000,  0.0018398400000000 ]  - [   0.0002454500000000, -0.0000001700000000, -0.0000011800000000 ]  - [  -0.0008905300000000, -0.0000051300000000, -0.0000024700000000 ]  - [  -0.0000120100000000,  0.0000260300000000,  0.0000820200000000 ]  - [  -0.0000139200000000, -0.0000263400000000,  0.0000721400000000 ]  - [   0.0000333900000000,  0.0000003100000000,  0.0000759900000000 ]  - [  -0.0000274600000000, -0.0000009100000000,  0.0000772000000000 ]  - [   0.0000005400000000, -0.0000085400000000, -0.0000519200000000 ]  - [   0.0000010800000000,  0.0000073400000000, -0.0000995700000000 ]  - [  -0.0000128800000000,  0.0000006700000000, -0.0000752900000000 ]  - [   0.0000129000000000,  0.0000000900000000, -0.0000760300000000 ]  - [   0.0000253200000000, -0.0000002900000000, -0.0000004400000000 ]  - [  -0.0000246800000000, -0.0000003300000000,  0.0000017700000000 ]  - [   0.0000008800000000,  0.0000145200000000, -0.0000120900000000 ]  - [   0.0000013000000000, -0.0000149000000000,  0.0000135900000000 ]  - [  -0.0000119100000000, -0.0000266300000000,  0.0001982700000000 ]  - [  -0.0000117300000000,  0.0000258300000000, -0.0000463400000000 ]  - [  -0.0000291900000000,  0.0000007500000000,  0.0000762000000000 ]  - [   0.0000318100000000,  0.0000002100000000,  0.0000759700000000 ]  - [  -0.0009447200000000, -0.0000026200000000, -0.0000702200000000 ]  - [   0.0005511300000000,  0.0000021400000000, -0.0000772300000000 ]  - [   0.0000354800000000, -0.0002977600000000,  0.0000715700000000 ]  - [   0.0000356000000000,  0.0002969800000000, -0.0002238200000000 ]  - [  -0.0000161200000000, -0.0001138600000000,  0.0001482200000000 ]  - [  -0.0000143500000000,  0.0001140800000000, -0.0001487400000000 ]  - [  -0.0002131800000000, -0.0000001200000000, -0.0000005600000000 ]  - [   0.0002148900000000, -0.0000003600000000, -0.0000008800000000 ]  - [   0.0026635800000000,  0.0005605800000000,  0.0023796500000000 ]  - [   0.0027303500000000, -0.0005592800000000, -0.0024377900000000 ]  - [   0.0000830000000000,  0.0000061200000000,  0.0000030800000000 ]  - [  -0.0000212000000000, -0.0000030100000000,  0.0000017300000000 ]  - [   0.0000303500000000, -0.0015320300000000,  0.0015991300000000 ]  - [   0.0006674700000000,  0.0003391200000000,  0.0003684500000000 ]  - [   0.0005086700000000, -0.0012684700000000, -0.0008080500000000 ]  - [   0.0001318500000000,  0.0000859100000000, -0.0002065100000000 ]  - [   0.0006645700000000, -0.0003351000000000, -0.0003524700000000 ]  - [   0.0000213900000000,  0.0015421100000000, -0.0016037700000000 ]  - [   0.0005220900000000,  0.0012610100000000,  0.0008050400000000 ]  - [   0.0001273500000000, -0.0000892300000000,  0.0002122700000000 ]  - [   0.0002090400000000, -0.0000019500000000, -0.0000007000000000 ]  - [  -0.0000593000000000,  0.0000008500000000,  0.0000000700000000 ]  - [   0.0000032800000000,  0.0000030900000000, -0.0000068500000000 ]  - [   0.0000042400000000, -0.0000058300000000,  0.0000039900000000 ]  - [   0.0000801400000000, -0.0000752800000000, -0.0000516400000000 ]  - [  -0.0000217300000000,  0.0000165600000000, -0.0000186900000000 ]  - [  -0.0000048400000000,  0.0000322600000000,  0.0000045900000000 ]  - [   0.0000116500000000, -0.0000270400000000, -0.0000139400000000 ]  - [   0.0000740600000000,  0.0000772200000000,  0.0000476400000000 ]  - [  -0.0000184500000000, -0.0000188400000000,  0.0000191000000000 ]  - [   0.0000110300000000,  0.0000276300000000,  0.0000125800000000 ]  - [  -0.0000067700000000, -0.0000299200000000, -0.0000073800000000 ]  - [   0.0000082100000000, -0.0000047300000000, -0.0000020900000000 ]  - [  -0.0000081900000000,  0.0000019700000000,  0.0000011000000000 ]  - [  -0.0000003700000000, -0.0000151900000000, -0.0000094400000000 ]  - [   0.0000015500000000,  0.0000167900000000,  0.0000110500000000 ]  - [  -0.0000079000000000,  0.0000007700000000, -0.0000024500000000 ]  - [   0.0000068800000000, -0.0000017500000000,  0.0000009300000000 ]  - [  -0.0000139300000000, -0.0000134400000000,  0.0000069700000000 ]  - [   0.0000143500000000,  0.0000133000000000, -0.0000056700000000 ]  - [   0.0000039600000000,  0.0000030800000000, -0.0000018300000000 ]  - [  -0.0000047100000000, -0.0000026300000000,  0.0000033100000000 ]  - [  -0.0000175300000000,  0.0000147100000000, -0.0000078400000000 ]  - [   0.0000171100000000, -0.0000132000000000,  0.0000079700000000 ]  - [   0.0068531400000000, -0.0039152700000000,  0.0000921900000000 ]  - [   0.0070682500000000,  0.0040609500000000, -0.0001427200000000 ]  - [   0.0000536000000000,  0.0000167600000000, -0.0000104000000000 ]  - [  -0.0002519300000000, -0.0000055100000000, -0.0000028700000000 ]  - [   0.0003292900000000, -0.0000013000000000, -0.0000098600000000 ]  - [  -0.0001924200000000, -0.0000011600000000, -0.0000214100000000 ]  - [   0.0000017000000000,  0.0001146500000000,  0.0000157500000000 ]  - [   0.0000007800000000, -0.0001141500000000, -0.0000350600000000 ]  - [   0.0000503300000000,  0.0000609700000000, -0.0000868100000000 ]  - [   0.0000435900000000, -0.0000569800000000,  0.0001023800000000 ]  - [   0.0000162000000000,  0.0000042300000000,  0.0000072200000000 ]  - [  -0.0000494500000000,  0.0000010100000000,  0.0000071200000000 ]  - [  -0.0000061500000000,  0.0000132800000000,  0.0000276900000000 ]  - [  -0.0000042800000000, -0.0000099700000000, -0.0000215300000000 ]  - [   0.0000072200000000, -0.0000022800000000,  0.0000012600000000 ]  - [  -0.0000007000000000,  0.0000049800000000, -0.0000082100000000 ]  - [   0.0000476100000000, -0.0000022500000000, -0.0000032000000000 ]  - [  -0.0000589300000000, -0.0000043400000000,  0.0000039300000000 ]  - [  -0.0000038000000000,  0.0000298900000000,  0.0000862200000000 ]  - [   0.0000018800000000, -0.0000323500000000, -0.0000871300000000 ]  - [  -0.0001901500000000, -0.0004276400000000, -0.0003712900000000 ]  - [  -0.0001936300000000,  0.0004296800000000,  0.0003899900000000 ]  - [  -0.0007607100000000, -0.0000038600000000, -0.0000001300000000 ]  - [   0.0005505200000000,  0.0000049400000000,  0.0000076600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0213153500000000 ]  - [   0.0000000000000000, -0.0000751700000000, -0.0002021600000000 ]  - [   0.0000651000000000,  0.0000375900000000, -0.0002021600000000 ]  - [  -0.0000651000000000,  0.0000375900000000, -0.0002021600000000 ]  - [  -0.0006603800000000,  0.0003812700000000,  0.0002385200000000 ]  - [   0.0006603800000000,  0.0003812700000000,  0.0002385200000000 ]  - [   0.0000000000000000, -0.0007625400000000,  0.0002385200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002687200000000 ]  - [  -0.0019022400000000, -0.0010982600000000, -0.0001331400000000 ]  - [   0.0019022400000000, -0.0010982600000000, -0.0001331400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002678100000000 ]  - [   0.0000000000000000,  0.0021965200000000, -0.0001331400000000 ]  - [  -0.0001224600000000,  0.0000707000000000,  0.0002636500000000 ]  - [   0.0001224600000000,  0.0000707000000000,  0.0002636500000000 ]  - [   0.0000000000000000, -0.0001414000000000,  0.0002636500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001318400000000 ]  - [   0.0000239900000000,  0.0000138500000000,  0.0000898300000000 ]  - [  -0.0000239900000000,  0.0000138500000000,  0.0000898300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000370500000000 ]  - [   0.0000000000000000, -0.0000277000000000,  0.0000898300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002988300000000 ]  - [   0.0000000000000000,  0.0000618500000000,  0.0002045700000000 ]  - [  -0.0000535600000000, -0.0000309200000000,  0.0002045700000000 ]  - [   0.0000535600000000, -0.0000309200000000,  0.0002045700000000 ]  - [  -0.0000043400000000, -0.0000025000000000,  0.0002633300000000 ]  - [   0.0000043400000000, -0.0000025000000000,  0.0002633300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001327800000000 ]  - [   0.0000000000000000,  0.0000050100000000,  0.0002633300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043475300000000 ]  - [   0.0000000000000000, -0.0001701900000000,  0.0000272200000000 ]  - [   0.0001473900000000,  0.0000850900000000,  0.0000272200000000 ]  - [  -0.0001473900000000,  0.0000850900000000,  0.0000272200000000 ]  - [   0.0001061400000000, -0.0000612800000000,  0.0001927400000000 ]  - [  -0.0001061400000000, -0.0000612800000000,  0.0001927400000000 ]  - [   0.0000000000000000,  0.0001225700000000,  0.0001927400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002575500000000 ]  - [   0.0019312500000000, -0.0000901800000000,  0.0011157800000000 ]  - [  -0.0019312500000000, -0.0000901800000000,  0.0011157800000000 ]  - [   0.0000000000000000,  0.0001307900000000, -0.0000338600000000 ]  - [   0.0000000000000000, -0.0001604000000000, -0.0001166900000000 ]  - [   0.0010437200000000, -0.0016274300000000,  0.0011157800000000 ]  - [  -0.0001132700000000, -0.0000653900000000, -0.0000338600000000 ]  - [  -0.0008875300000000,  0.0017176000000000,  0.0011157800000000 ]  - [   0.0001389100000000,  0.0000802000000000, -0.0001166900000000 ]  - [   0.0001132700000000, -0.0000653900000000, -0.0000338600000000 ]  - [  -0.0010437200000000, -0.0016274300000000,  0.0011157800000000 ]  - [   0.0008875300000000,  0.0017176000000000,  0.0011157800000000 ]  - [  -0.0001389100000000,  0.0000802000000000, -0.0001166900000000 ]  - [   0.0000000000000000,  0.0001264400000000,  0.0005317300000000 ]  - [   0.0000000000000000,  0.0000209400000000,  0.0000146000000000 ]  - [  -0.0000126400000000, -0.0000380500000000, -0.0000507800000000 ]  - [   0.0000126400000000, -0.0000380500000000, -0.0000507800000000 ]  - [  -0.0001095000000000, -0.0000632200000000,  0.0005317300000000 ]  - [   0.0000266300000000,  0.0000299700000000, -0.0000507800000000 ]  - [  -0.0000181400000000, -0.0000104700000000,  0.0000146000000000 ]  - [   0.0000392700000000,  0.0000080800000000, -0.0000507800000000 ]  - [   0.0001095000000000, -0.0000632200000000,  0.0005317300000000 ]  - [  -0.0000266300000000,  0.0000299700000000, -0.0000507800000000 ]  - [  -0.0000392700000000,  0.0000080800000000, -0.0000507800000000 ]  - [   0.0000181400000000, -0.0000104700000000,  0.0000146000000000 ]  - [   0.0000000000000000,  0.0000891800000000,  0.0000077200000000 ]  - [   0.0000000000000000,  0.0000684000000000,  0.0000105200000000 ]  - [  -0.0000098000000000,  0.0000554600000000,  0.0000084500000000 ]  - [   0.0000098000000000,  0.0000554600000000,  0.0000084500000000 ]  - [  -0.0000529300000000, -0.0000192500000000,  0.0000084500000000 ]  - [  -0.0000772300000000, -0.0000445900000000,  0.0000077200000000 ]  - [  -0.0000431300000000, -0.0000362200000000,  0.0000084500000000 ]  - [  -0.0000592400000000, -0.0000342000000000,  0.0000105200000000 ]  - [   0.0000772300000000, -0.0000445900000000,  0.0000077200000000 ]  - [   0.0000529300000000, -0.0000192500000000,  0.0000084500000000 ]  - [   0.0000431300000000, -0.0000362200000000,  0.0000084500000000 ]  - [   0.0000592400000000, -0.0000342000000000,  0.0000105200000000 ]  - [   0.0006629800000000, -0.0003827700000000,  0.0006164100000000 ]  - [  -0.0006629800000000, -0.0003827700000000,  0.0006164100000000 ]  - [   0.0000000000000000,  0.0007655400000000,  0.0006164100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006442200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0071177800000000 ]  - [   0.0000000000000000, -0.0000513900000000,  0.0002466900000000 ]  - [   0.0000445000000000,  0.0000256900000000,  0.0002466900000000 ]  - [  -0.0000445000000000,  0.0000256900000000,  0.0002466900000000 ]  - [   0.0002344700000000,  0.0001353700000000, -0.0004235900000000 ]  - [  -0.0002344700000000,  0.0001353700000000, -0.0004235900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001344900000000 ]  - [   0.0000000000000000, -0.0002707400000000, -0.0004235900000000 ]  - [  -0.0000030200000000,  0.0000017500000000, -0.0002796500000000 ]  - [   0.0000030200000000,  0.0000017500000000, -0.0002796500000000 ]  - [   0.0000000000000000, -0.0000034900000000, -0.0002796500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002953000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004398100000000 ]  - [   0.0000000000000000,  0.0000371800000000, -0.0002737200000000 ]  - [  -0.0000322000000000, -0.0000185900000000, -0.0002737200000000 ]  - [   0.0000322000000000, -0.0000185900000000, -0.0002737200000000 ]  - [  -0.0003871200000000, -0.0002235000000000, -0.0002187400000000 ]  - [   0.0003871200000000, -0.0002235000000000, -0.0002187400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002352400000000 ]  - [   0.0000000000000000,  0.0004470100000000, -0.0002187400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0212089000000000 ]  - [   0.0000000000000000,  0.0000755800000000,  0.0003529600000000 ]  - [  -0.0000654600000000, -0.0000377900000000,  0.0003529600000000 ]  - [   0.0000654600000000, -0.0000377900000000,  0.0003529600000000 ]  - [   0.0006543900000000, -0.0003778100000000, -0.0003864300000000 ]  - [  -0.0006543900000000, -0.0003778100000000, -0.0003864300000000 ]  - [   0.0000000000000000,  0.0007556300000000, -0.0003864300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001161300000000 ]  - [   0.0018949700000000,  0.0010940600000000,  0.0001227700000000 ]  - [  -0.0018949700000000,  0.0010940600000000,  0.0001227700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002671800000000 ]  - [   0.0000000000000000, -0.0021881300000000,  0.0001227700000000 ]  - [   0.0001226600000000, -0.0000708200000000, -0.0001115800000000 ]  - [  -0.0001226600000000, -0.0000708200000000, -0.0001115800000000 ]  - [   0.0000000000000000,  0.0001416400000000, -0.0001115800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000203800000000 ]  - [  -0.0000238000000000, -0.0000137400000000, -0.0002412900000000 ]  - [   0.0000238000000000, -0.0000137400000000, -0.0002412900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001876000000000 ]  - [   0.0000000000000000,  0.0000274800000000, -0.0002412900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003000800000000 ]  - [   0.0000000000000000, -0.0000621300000000, -0.0002042900000000 ]  - [   0.0000538100000000,  0.0000310700000000, -0.0002042900000000 ]  - [  -0.0000538100000000,  0.0000310700000000, -0.0002042900000000 ]  - [   0.0000040000000000,  0.0000023100000000, -0.0001118500000000 ]  - [  -0.0000040000000000,  0.0000023100000000, -0.0001118500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000201900000000 ]  - [   0.0000000000000000, -0.0000046200000000, -0.0001118500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045625900000000 ]  - [   0.0000000000000000,  0.0001708000000000, -0.0001784700000000 ]  - [  -0.0001479200000000, -0.0000854000000000, -0.0001784700000000 ]  - [   0.0001479200000000, -0.0000854000000000, -0.0001784700000000 ]  - [  -0.0001072200000000,  0.0000619100000000, -0.0001911300000000 ]  - [   0.0001072200000000,  0.0000619100000000, -0.0001911300000000 ]  - [   0.0000000000000000, -0.0001238100000000, -0.0001911300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002579300000000 ]  - [  -0.0019606000000000,  0.0000930600000000, -0.0011198200000000 ]  - [   0.0019606000000000,  0.0000930600000000, -0.0011198200000000 ]  - [   0.0000000000000000, -0.0001212700000000,  0.0000361300000000 ]  - [   0.0000000000000000,  0.0001568600000000,  0.0001177700000000 ]  - [  -0.0010608900000000,  0.0016514000000000, -0.0011198200000000 ]  - [   0.0001050200000000,  0.0000606300000000,  0.0000361300000000 ]  - [   0.0008997100000000, -0.0017444600000000, -0.0011198200000000 ]  - [  -0.0001358500000000, -0.0000784300000000,  0.0001177700000000 ]  - [  -0.0001050200000000,  0.0000606300000000,  0.0000361300000000 ]  - [   0.0010608900000000,  0.0016514000000000, -0.0011198200000000 ]  - [  -0.0008997100000000, -0.0017444600000000, -0.0011198200000000 ]  - [   0.0001358500000000, -0.0000784300000000,  0.0001177700000000 ]  - [   0.0000000000000000, -0.0001385800000000, -0.0005227300000000 ]  - [   0.0000000000000000, -0.0000162500000000, -0.0000162300000000 ]  - [   0.0000101500000000,  0.0000367200000000,  0.0000493700000000 ]  - [  -0.0000101500000000,  0.0000367200000000,  0.0000493700000000 ]  - [   0.0001200100000000,  0.0000692900000000, -0.0005227300000000 ]  - [  -0.0000267200000000, -0.0000271500000000,  0.0000493700000000 ]  - [   0.0000140700000000,  0.0000081300000000, -0.0000162300000000 ]  - [  -0.0000368800000000, -0.0000095700000000,  0.0000493700000000 ]  - [  -0.0001200100000000,  0.0000692900000000, -0.0005227300000000 ]  - [   0.0000267200000000, -0.0000271500000000,  0.0000493700000000 ]  - [   0.0000368800000000, -0.0000095700000000,  0.0000493700000000 ]  - [  -0.0000140700000000,  0.0000081300000000, -0.0000162300000000 ]  - [   0.0000000000000000, -0.0000901900000000, -0.0000076600000000 ]  - [   0.0000000000000000, -0.0000692500000000, -0.0000106500000000 ]  - [   0.0000096200000000, -0.0000547400000000, -0.0000087000000000 ]  - [  -0.0000096200000000, -0.0000547400000000, -0.0000087000000000 ]  - [   0.0000522200000000,  0.0000190400000000, -0.0000087000000000 ]  - [   0.0000781000000000,  0.0000450900000000, -0.0000076600000000 ]  - [   0.0000426000000000,  0.0000357000000000, -0.0000087000000000 ]  - [   0.0000599800000000,  0.0000346300000000, -0.0000106500000000 ]  - [  -0.0000781000000000,  0.0000450900000000, -0.0000076600000000 ]  - [  -0.0000522200000000,  0.0000190400000000, -0.0000087000000000 ]  - [  -0.0000426000000000,  0.0000357000000000, -0.0000087000000000 ]  - [  -0.0000599800000000,  0.0000346300000000, -0.0000106500000000 ]  - [  -0.0006368000000000,  0.0003676600000000, -0.0006227900000000 ]  - [   0.0006368000000000,  0.0003676600000000, -0.0006227900000000 ]  - [   0.0000000000000000, -0.0007353200000000, -0.0006227900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006620100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0067832600000000 ]  - [   0.0000000000000000,  0.0000532300000000, -0.0002210100000000 ]  - [  -0.0000460900000000, -0.0000266100000000, -0.0002210100000000 ]  - [   0.0000460900000000, -0.0000266100000000, -0.0002210100000000 ]  - [  -0.0002357500000000, -0.0001361100000000,  0.0004044500000000 ]  - [   0.0002357500000000, -0.0001361100000000,  0.0004044500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001011300000000 ]  - [   0.0000000000000000,  0.0002722200000000,  0.0004044500000000 ]  - [   0.0000043300000000, -0.0000025000000000,  0.0002981100000000 ]  - [  -0.0000043300000000, -0.0000025000000000,  0.0002981100000000 ]  - [   0.0000000000000000,  0.0000049900000000,  0.0002981100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003159400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004156300000000 ]  - [   0.0000000000000000, -0.0000379700000000,  0.0002565000000000 ]  - [   0.0000328800000000,  0.0000189800000000,  0.0002565000000000 ]  - [  -0.0000328800000000,  0.0000189800000000,  0.0002565000000000 ]  - [   0.0003911700000000,  0.0002258400000000,  0.0002340500000000 ]  - [  -0.0003911700000000,  0.0002258400000000,  0.0002340500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002269500000000 ]  - [   0.0000000000000000, -0.0004516800000000,  0.0002340500000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0024840300000000,  0.0019544600000000, -0.0018349100000000 ]  - [   0.0024657700000000, -0.0019324100000000,  0.0019628000000000 ]  - [   0.0002452500000000, -0.0000003000000000,  0.0000743600000000 ]  - [  -0.0008911800000000,  0.0000071700000000,  0.0000779900000000 ]  - [  -0.0008911800000000, -0.0000071700000000, -0.0000779900000000 ]  - [   0.0002452500000000,  0.0000003000000000, -0.0000743600000000 ]  - [   0.0024840300000000, -0.0019544600000000,  0.0018349100000000 ]  - [   0.0024657700000000,  0.0019324100000000, -0.0019628000000000 ]  - [  -0.0121304000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004929100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000012400000000, -0.0002839500000000,  0.0001395000000000 ]  - [   0.0000012400000000,  0.0002839500000000, -0.0001395000000000 ]  - [  -0.0002125200000000,  0.0000001700000000,  0.0000748000000000 ]  - [   0.0002147800000000, -0.0000000800000000,  0.0000741500000000 ]  - [  -0.0000150100000000, -0.0001141300000000,  0.0001816300000000 ]  - [  -0.0000149400000000,  0.0001140400000000, -0.0000318900000000 ]  - [   0.0000242100000000, -0.0000000100000000, -0.0000743900000000 ]  - [  -0.0000252700000000, -0.0000000300000000, -0.0000745400000000 ]  - [   0.0000018600000000,  0.0000156600000000, -0.0001284200000000 ]  - [   0.0000018800000000, -0.0000157300000000, -0.0000206300000000 ]  - [   0.0000083000000000, -0.0000536800000000,  0.0000954500000000 ]  - [   0.0000081900000000,  0.0000537000000000, -0.0000953600000000 ]  - [  -0.0001016800000000,  0.0000001000000000, -0.0000000200000000 ]  - [   0.0001012600000000,  0.0000000200000000, -0.0000000800000000 ]  - [   0.0000242100000000,  0.0000000100000000,  0.0000743900000000 ]  - [  -0.0000252700000000,  0.0000000300000000,  0.0000745400000000 ]  - [   0.0000018800000000,  0.0000157300000000,  0.0000206300000000 ]  - [   0.0000018600000000, -0.0000156600000000,  0.0001284200000000 ]  - [  -0.0000150100000000,  0.0001141300000000, -0.0001816300000000 ]  - [  -0.0000149400000000, -0.0001140400000000,  0.0000318900000000 ]  - [   0.0002147800000000,  0.0000000800000000, -0.0000741500000000 ]  - [  -0.0002125200000000, -0.0000001700000000, -0.0000748000000000 ]  - [   0.0001012600000000, -0.0000000200000000,  0.0000000800000000 ]  - [  -0.0001016800000000, -0.0000001000000000,  0.0000000200000000 ]  - [   0.0000083000000000,  0.0000536800000000, -0.0000954500000000 ]  - [   0.0000081900000000, -0.0000537000000000,  0.0000953600000000 ]  - [   0.0001793500000000,  0.0000000000000000,  0.0000029400000000 ]  - [  -0.0000765600000000,  0.0000000100000000,  0.0000007100000000 ]  - [  -0.0000720700000000, -0.0002220500000000, -0.0001578700000000 ]  - [  -0.0000778500000000,  0.0002247900000000,  0.0001600300000000 ]  - [   0.0000733500000000,  0.0000664400000000, -0.0000078500000000 ]  - [  -0.0000732200000000,  0.0000011300000000,  0.0000161800000000 ]  - [   0.0002523000000000,  0.0002063900000000, -0.0001675500000000 ]  - [  -0.0001357800000000, -0.0001822200000000,  0.0006832100000000 ]  - [   0.0000760200000000, -0.0000669300000000,  0.0000094000000000 ]  - [  -0.0000729400000000, -0.0000026400000000, -0.0000156300000000 ]  - [  -0.0001371900000000,  0.0001824900000000, -0.0006868400000000 ]  - [   0.0002499700000000, -0.0002099200000000,  0.0001682200000000 ]  - [  -0.0000720700000000,  0.0002220500000000,  0.0001578700000000 ]  - [  -0.0000778500000000, -0.0002247900000000, -0.0001600300000000 ]  - [  -0.0000765600000000, -0.0000000100000000, -0.0000007100000000 ]  - [   0.0001793500000000,  0.0000000000000000, -0.0000029400000000 ]  - [  -0.0001371900000000, -0.0001824900000000,  0.0006868400000000 ]  - [   0.0002499700000000,  0.0002099200000000, -0.0001682200000000 ]  - [  -0.0000729400000000,  0.0000026400000000,  0.0000156300000000 ]  - [   0.0000760200000000,  0.0000669300000000, -0.0000094000000000 ]  - [   0.0002523000000000, -0.0002063900000000,  0.0001675500000000 ]  - [  -0.0001357800000000,  0.0001822200000000, -0.0006832100000000 ]  - [  -0.0000732200000000, -0.0000011300000000, -0.0000161800000000 ]  - [   0.0000733500000000, -0.0000664400000000,  0.0000078500000000 ]  - [  -0.0000001800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000011700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000015400000000,  0.0000008300000000, -0.0000000900000000 ]  - [   0.0000015400000000, -0.0000008300000000,  0.0000000900000000 ]  - [   0.0000093800000000,  0.0000044900000000, -0.0000040100000000 ]  - [  -0.0000098000000000, -0.0000060100000000,  0.0000042000000000 ]  - [   0.0000113300000000,  0.0000057500000000, -0.0000041100000000 ]  - [  -0.0000098000000000, -0.0000045300000000,  0.0000040100000000 ]  - [   0.0000113300000000, -0.0000057500000000,  0.0000041100000000 ]  - [  -0.0000098000000000,  0.0000045300000000, -0.0000040100000000 ]  - [  -0.0000098000000000,  0.0000060100000000, -0.0000042000000000 ]  - [   0.0000093800000000, -0.0000044900000000,  0.0000040100000000 ]  - [   0.0005633300000000, -0.0000027200000000, -0.0000315700000000 ]  - [  -0.0002026200000000, -0.0000021900000000, -0.0000313500000000 ]  - [   0.0005083900000000,  0.0000314900000000,  0.0004976900000000 ]  - [   0.0004736600000000, -0.0000514100000000, -0.0005728400000000 ]  - [   0.0005083900000000, -0.0000314900000000, -0.0004976900000000 ]  - [   0.0004736600000000,  0.0000514100000000,  0.0005728400000000 ]  - [  -0.0002026200000000,  0.0000021900000000,  0.0000313500000000 ]  - [   0.0005633300000000,  0.0000027200000000,  0.0000315700000000 ]  - [   0.0002876900000000, -0.0000006700000000, -0.0000331200000000 ]  - [  -0.0004129800000000, -0.0000016300000000, -0.0000302500000000 ]  - [   0.0000615900000000,  0.0002722800000000,  0.0002966800000000 ]  - [   0.0000595900000000, -0.0002740900000000, -0.0003384600000000 ]  - [   0.0000104400000000,  0.0000011800000000,  0.0000360400000000 ]  - [  -0.0000095800000000,  0.0000016300000000,  0.0000343200000000 ]  - [  -0.0000025100000000,  0.0000098500000000,  0.0000678400000000 ]  - [  -0.0000017500000000, -0.0000090500000000, -0.0000020900000000 ]  - [  -0.0000025100000000, -0.0000098500000000, -0.0000678400000000 ]  - [  -0.0000017500000000,  0.0000090500000000,  0.0000020900000000 ]  - [  -0.0000095800000000, -0.0000016300000000, -0.0000343200000000 ]  - [   0.0000104400000000, -0.0000011800000000, -0.0000360400000000 ]  - [   0.0002876900000000,  0.0000006700000000,  0.0000331200000000 ]  - [  -0.0004129800000000,  0.0000016300000000,  0.0000302500000000 ]  - [   0.0000595900000000,  0.0002740900000000,  0.0003384600000000 ]  - [   0.0000615900000000, -0.0002722800000000, -0.0002966800000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0018271800000000, -0.0010549200000000, -0.0000472300000000 ]  - [   0.0018271800000000, -0.0010549200000000, -0.0000472300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001915800000000 ]  - [   0.0000000000000000,  0.0021098400000000, -0.0000472300000000 ]  - [   0.0000000000000000,  0.0021119300000000, -0.0002088200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003438400000000 ]  - [   0.0018289800000000, -0.0010559600000000, -0.0002088200000000 ]  - [  -0.0018289800000000, -0.0010559600000000, -0.0002088200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086666000000000 ]  - [   0.0000000000000000, -0.0001607600000000, -0.0007368600000000 ]  - [   0.0001392200000000,  0.0000803800000000, -0.0007368600000000 ]  - [  -0.0001392200000000,  0.0000803800000000, -0.0007368600000000 ]  - [   0.0000000000000000,  0.0001725500000000,  0.0002677200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003339600000000 ]  - [   0.0001494300000000, -0.0000862800000000,  0.0002677200000000 ]  - [  -0.0001494300000000, -0.0000862800000000,  0.0002677200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002236100000000 ]  - [   0.0000000000000000,  0.0000143800000000,  0.0001285400000000 ]  - [  -0.0000124500000000, -0.0000071900000000,  0.0001285400000000 ]  - [   0.0000124500000000, -0.0000071900000000,  0.0001285400000000 ]  - [   0.0000960200000000,  0.0000554300000000,  0.0003967900000000 ]  - [  -0.0000960200000000,  0.0000554300000000,  0.0003967900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002737000000000 ]  - [   0.0000000000000000, -0.0001108700000000,  0.0003967900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003755100000000 ]  - [   0.0000000000000000,  0.0000144400000000,  0.0002813700000000 ]  - [  -0.0000125000000000, -0.0000072200000000,  0.0002813700000000 ]  - [   0.0000125000000000, -0.0000072200000000,  0.0002813700000000 ]  - [  -0.0001477900000000, -0.0000853300000000,  0.0001151800000000 ]  - [   0.0001477900000000, -0.0000853300000000,  0.0001151800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001815300000000 ]  - [   0.0000000000000000,  0.0001706600000000,  0.0001151800000000 ]  - [   0.0000000000000000, -0.0001094100000000,  0.0003967100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002750000000000 ]  - [  -0.0000947500000000,  0.0000547000000000,  0.0003967100000000 ]  - [   0.0000947500000000,  0.0000547000000000,  0.0003967100000000 ]  - [   0.0000000000000000, -0.0002555000000000,  0.0007914100000000 ]  - [   0.0000000000000000, -0.0000858600000000, -0.0000343700000000 ]  - [  -0.0000093700000000,  0.0001198100000000,  0.0001813500000000 ]  - [   0.0000093700000000,  0.0001198100000000,  0.0001813500000000 ]  - [  -0.0000990700000000, -0.0000680200000000,  0.0001813500000000 ]  - [   0.0000743600000000,  0.0000429300000000, -0.0000343700000000 ]  - [  -0.0001084400000000, -0.0000517900000000,  0.0001813500000000 ]  - [   0.0002212700000000,  0.0001277500000000,  0.0007914100000000 ]  - [   0.0000990700000000, -0.0000680200000000,  0.0001813500000000 ]  - [  -0.0000743600000000,  0.0000429300000000, -0.0000343700000000 ]  - [  -0.0002212700000000,  0.0001277500000000,  0.0007914100000000 ]  - [   0.0001084400000000, -0.0000517900000000,  0.0001813500000000 ]  - [   0.0000095600000000,  0.0001147300000000,  0.0001793100000000 ]  - [  -0.0000095600000000,  0.0001147300000000,  0.0001793100000000 ]  - [   0.0000000000000000, -0.0000910500000000, -0.0000342900000000 ]  - [   0.0000000000000000, -0.0002656100000000,  0.0008208800000000 ]  - [   0.0002300200000000,  0.0001328000000000,  0.0008208800000000 ]  - [  -0.0001041400000000, -0.0000490900000000,  0.0001793100000000 ]  - [   0.0000788500000000,  0.0000455200000000, -0.0000342900000000 ]  - [  -0.0000945800000000, -0.0000656400000000,  0.0001793100000000 ]  - [   0.0001041400000000, -0.0000490900000000,  0.0001793100000000 ]  - [  -0.0002300200000000,  0.0001328000000000,  0.0008208800000000 ]  - [  -0.0000788500000000,  0.0000455200000000, -0.0000342900000000 ]  - [   0.0000945800000000, -0.0000656400000000,  0.0001793100000000 ]  - [  -0.0000012300000000,  0.0001006300000000,  0.0000167700000000 ]  - [   0.0000012300000000,  0.0001006300000000,  0.0000167700000000 ]  - [   0.0000000000000000,  0.0000881000000000,  0.0000155300000000 ]  - [   0.0000000000000000,  0.0000949200000000,  0.0000165800000000 ]  - [  -0.0000865400000000, -0.0000513800000000,  0.0000167700000000 ]  - [  -0.0000822100000000, -0.0000474600000000,  0.0000165800000000 ]  - [  -0.0000877600000000, -0.0000492500000000,  0.0000167700000000 ]  - [  -0.0000763000000000, -0.0000440500000000,  0.0000155300000000 ]  - [   0.0000865400000000, -0.0000513800000000,  0.0000167700000000 ]  - [   0.0000822100000000, -0.0000474600000000,  0.0000165800000000 ]  - [   0.0000763000000000, -0.0000440500000000,  0.0000155300000000 ]  - [   0.0000877600000000, -0.0000492500000000,  0.0000167700000000 ]  - [   0.0000000000000000, -0.0000183500000000,  0.0006724300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005377300000000 ]  - [  -0.0000158900000000,  0.0000091700000000,  0.0006724300000000 ]  - [   0.0000158900000000,  0.0000091700000000,  0.0006724300000000 ]  - [   0.0000265200000000,  0.0000153100000000,  0.0007031400000000 ]  - [  -0.0000265200000000,  0.0000153100000000,  0.0007031400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005595700000000 ]  - [   0.0000000000000000, -0.0000306300000000,  0.0007031400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005195000000000 ]  - [   0.0000000000000000,  0.0001377400000000, -0.0003395000000000 ]  - [  -0.0001192900000000, -0.0000688700000000, -0.0003395000000000 ]  - [   0.0001192900000000, -0.0000688700000000, -0.0003395000000000 ]  - [   0.0000000000000000, -0.0000242700000000, -0.0004263200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003956300000000 ]  - [  -0.0000210200000000,  0.0000121400000000, -0.0004263200000000 ]  - [   0.0000210200000000,  0.0000121400000000, -0.0004263200000000 ]  - [   0.0000202000000000,  0.0000116600000000, -0.0004490600000000 ]  - [  -0.0000202000000000,  0.0000116600000000, -0.0004490600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004148600000000 ]  - [   0.0000000000000000, -0.0000233300000000, -0.0004490600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004966300000000 ]  - [   0.0000000000000000,  0.0001408300000000, -0.0003286400000000 ]  - [  -0.0001219600000000, -0.0000704100000000, -0.0003286400000000 ]  - [   0.0001219600000000, -0.0000704100000000, -0.0003286400000000 ]- atom:   37  displacement:    [  -0.0050000000019876,  0.0086602540366968,  0.0000000000000000 ]  forces:  - [  -0.0008607700000000, -0.0004625900000000, -0.0009715400000000 ]  - [  -0.0018396600000000, -0.0004644700000000,  0.0009758000000000 ]  - [  -0.0000421600000000,  0.0007489500000000,  0.0001869900000000 ]  - [   0.0000071100000000,  0.0001619500000000, -0.0000592400000000 ]  - [  -0.0001046000000000,  0.0000286400000000,  0.0000350200000000 ]  - [   0.0000289800000000,  0.0000149500000000, -0.0000619500000000 ]  - [  -0.0000070700000000, -0.0000180700000000, -0.0001032300000000 ]  - [  -0.0000057400000000,  0.0000141600000000, -0.0001140100000000 ]  - [  -0.0000917300000000, -0.0002067200000000, -0.0002240900000000 ]  - [   0.0000366500000000, -0.0000574500000000, -0.0000728200000000 ]  - [  -0.0001586400000000,  0.0002028100000000,  0.0001075300000000 ]  - [   0.0002274400000000,  0.0002222900000000,  0.0000958600000000 ]  - [  -0.0000056600000000,  0.0000093900000000,  0.0001545400000000 ]  - [   0.0000047400000000,  0.0000214500000000,  0.0001375900000000 ]  - [  -0.0000132000000000, -0.0000119500000000,  0.0001291000000000 ]  - [   0.0000061800000000, -0.0000045400000000,  0.0001182700000000 ]  - [  -0.0000064000000000,  0.0000071200000000, -0.0000024700000000 ]  - [   0.0000020800000000,  0.0000218300000000, -0.0000152300000000 ]  - [  -0.0000139300000000, -0.0000122000000000, -0.0000252100000000 ]  - [   0.0000074600000000, -0.0000050500000000, -0.0000362300000000 ]  - [  -0.0000025100000000,  0.0000145400000000,  0.0000897900000000 ]  - [  -0.0000023500000000,  0.0000145800000000,  0.0000886200000000 ]  - [  -0.0000018500000000, -0.0000081200000000,  0.0000758400000000 ]  - [  -0.0000024700000000, -0.0000074000000000,  0.0000754800000000 ]  - [  -0.0001038400000000,  0.0000262300000000,  0.0001947500000000 ]  - [   0.0000274100000000,  0.0000168300000000,  0.0000910000000000 ]  - [  -0.0000065100000000, -0.0000170400000000,  0.0000500900000000 ]  - [  -0.0000034200000000,  0.0000148600000000,  0.0000398500000000 ]  - [  -0.0018261200000000, -0.0004550200000000,  0.0008116500000000 ]  - [  -0.0008746300000000, -0.0004654400000000, -0.0011335300000000 ]  - [   0.0000079000000000,  0.0001598700000000, -0.0002165200000000 ]  - [  -0.0000442400000000,  0.0007458100000000,  0.0000282400000000 ]  - [  -0.0000907200000000, -0.0002048400000000, -0.0002267500000000 ]  - [   0.0000360500000000, -0.0000582000000000, -0.0000753600000000 ]  - [  -0.0001602000000000,  0.0002033000000000,  0.0001030600000000 ]  - [   0.0002310700000000,  0.0002219700000000,  0.0000943300000000 ]  - [   0.0115234300000000, -0.0559459700000000, -0.0444208200000000 ]  - [  -0.0001122700000000, -0.0000994500000000, -0.0000499200000000 ]  - [   0.0003991500000000, -0.0003009400000000,  0.0001808000000000 ]  - [  -0.0002346400000000,  0.0000457600000000,  0.0002917400000000 ]  - [   0.0016187200000000,  0.0017885300000000, -0.0017879900000000 ]  - [  -0.0001569900000000,  0.0001357400000000, -0.0000560200000000 ]  - [  -0.0001539000000000,  0.0001425800000000, -0.0000573300000000 ]  - [   0.0015906500000000,  0.0017373500000000, -0.0017895700000000 ]  - [  -0.0023970000000000,  0.0005402500000000, -0.0023059500000000 ]  - [  -0.0000393400000000, -0.0000572600000000,  0.0000327000000000 ]  - [  -0.0022649600000000,  0.0003465100000000, -0.0022818800000000 ]  - [  -0.0000425600000000, -0.0000488000000000,  0.0000293500000000 ]  - [  -0.0000238700000000,  0.0000537100000000,  0.0000054000000000 ]  - [   0.0000184200000000,  0.0000273900000000,  0.0000057100000000 ]  - [   0.0000162300000000,  0.0000154400000000,  0.0000128800000000 ]  - [  -0.0000052100000000,  0.0000018900000000, -0.0000081100000000 ]  - [  -0.0000616900000000,  0.0000068700000000,  0.0000010800000000 ]  - [  -0.0000115500000000, -0.0000046200000000,  0.0000167700000000 ]  - [  -0.0000104300000000, -0.0000369400000000,  0.0000027800000000 ]  - [  -0.0000025900000000,  0.0000037900000000, -0.0000102200000000 ]  - [   0.0000435000000000, -0.0000044300000000,  0.0000305600000000 ]  - [   0.0000194000000000,  0.0000096200000000, -0.0000028100000000 ]  - [   0.0000049700000000, -0.0000153000000000, -0.0000038400000000 ]  - [   0.0000012900000000, -0.0000041500000000,  0.0000006800000000 ]  - [   0.0000221600000000,  0.0000267200000000,  0.0000042400000000 ]  - [  -0.0000238500000000,  0.0000517300000000,  0.0000056600000000 ]  - [  -0.0000069000000000,  0.0000120100000000, -0.0000050000000000 ]  - [   0.0000135000000000,  0.0000070800000000,  0.0000095500000000 ]  - [  -0.0000657300000000,  0.0000073800000000,  0.0000027100000000 ]  - [  -0.0000085200000000, -0.0000025900000000,  0.0000164200000000 ]  - [  -0.0000102500000000, -0.0000334500000000,  0.0000038000000000 ]  - [  -0.0000057800000000,  0.0000014900000000, -0.0000089100000000 ]  - [   0.0000266600000000,  0.0000081400000000, -0.0000015700000000 ]  - [   0.0000352100000000,  0.0000005000000000,  0.0000299100000000 ]  - [   0.0000017400000000, -0.0000038700000000,  0.0000006900000000 ]  - [   0.0000065200000000, -0.0000149600000000, -0.0000013400000000 ]  - [  -0.0015756300000000,  0.0253209700000000,  0.0266664200000000 ]  - [  -0.0000444400000000,  0.0000250800000000,  0.0000971400000000 ]  - [  -0.0003467800000000,  0.0004778700000000,  0.0001141600000000 ]  - [   0.0000438000000000, -0.0000057700000000,  0.0002568100000000 ]  - [  -0.0001048700000000,  0.0000924900000000, -0.0002571300000000 ]  - [   0.0000844200000000,  0.0000563900000000, -0.0001007200000000 ]  - [   0.0000285700000000, -0.0000893700000000, -0.0001032500000000 ]  - [  -0.0000122800000000, -0.0000075200000000, -0.0000114500000000 ]  - [   0.0000205600000000,  0.0000083500000000, -0.0000396000000000 ]  - [  -0.0000169800000000, -0.0000034300000000, -0.0001502400000000 ]  - [  -0.0000093100000000,  0.0000098000000000, -0.0000629000000000 ]  - [  -0.0000158000000000, -0.0000187900000000, -0.0000594800000000 ]  - [   0.0000199900000000,  0.0000200600000000, -0.0001086700000000 ]  - [  -0.0000284300000000,  0.0000027600000000, -0.0001678700000000 ]  - [   0.0000058100000000,  0.0000187700000000, -0.0000904400000000 ]  - [  -0.0000067100000000, -0.0000197800000000, -0.0001012600000000 ]  - [   0.0001103400000000,  0.0000418200000000, -0.0000493400000000 ]  - [  -0.0001089000000000,  0.0000899700000000, -0.0002340400000000 ]  - [  -0.0000178400000000, -0.0000117300000000,  0.0000170600000000 ]  - [   0.0000226200000000, -0.0001028500000000, -0.0000688300000000 ]  - [  -0.0017311900000000,  0.0247717600000000,  0.0258584400000000 ]  - [  -0.0000550500000000,  0.0000413000000000,  0.0000688900000000 ]  - [  -0.0003541700000000,  0.0004822900000000,  0.0000686200000000 ]  - [   0.0000341000000000, -0.0000106600000000,  0.0002203000000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0024260200000000, -0.0004594200000000,  0.0011991600000000 ]  - [  -0.0024260200000000, -0.0004594200000000,  0.0011991600000000 ]  - [   0.0000000000000000, -0.0004170900000000,  0.0000413400000000 ]  - [   0.0000000000000000,  0.0002417600000000, -0.0000390000000000 ]  - [   0.0000000000000000,  0.0000557500000000,  0.0004551900000000 ]  - [   0.0000000000000000, -0.0000059700000000, -0.0000552400000000 ]  - [  -0.0000078500000000,  0.0000183600000000, -0.0001211400000000 ]  - [   0.0000078500000000,  0.0000183600000000, -0.0001211400000000 ]  - [   0.0000000000000000, -0.0008013200000000,  0.0008249500000000 ]  - [   0.0000000000000000, -0.0000181400000000, -0.0000313200000000 ]  - [  -0.0001587300000000,  0.0001022500000000,  0.0001840900000000 ]  - [   0.0001587300000000,  0.0001022500000000,  0.0001840900000000 ]  - [   0.0000000000000000, -0.0000010500000000,  0.0000841400000000 ]  - [   0.0000000000000000,  0.0000065500000000,  0.0000872200000000 ]  - [  -0.0000086800000000, -0.0000021600000000,  0.0000852600000000 ]  - [   0.0000086800000000, -0.0000021600000000,  0.0000852600000000 ]  - [   0.0000000000000000, -0.0000012100000000, -0.0000632600000000 ]  - [   0.0000000000000000,  0.0000067500000000, -0.0000605400000000 ]  - [  -0.0000089100000000, -0.0000021900000000, -0.0000622600000000 ]  - [   0.0000089100000000, -0.0000021900000000, -0.0000622600000000 ]  - [   0.0000001000000000,  0.0000047100000000,  0.0000194000000000 ]  - [  -0.0000001000000000,  0.0000047100000000,  0.0000194000000000 ]  - [   0.0000000000000000, -0.0000048700000000,  0.0000179000000000 ]  - [   0.0000000000000000, -0.0000048300000000,  0.0000181600000000 ]  - [   0.0000000000000000,  0.0000554000000000,  0.0006035500000000 ]  - [   0.0000000000000000, -0.0000061700000000,  0.0000915300000000 ]  - [  -0.0000071200000000,  0.0000184500000000,  0.0000256400000000 ]  - [   0.0000071200000000,  0.0000184500000000,  0.0000256400000000 ]  - [  -0.0023904100000000, -0.0004573100000000,  0.0010415100000000 ]  - [   0.0023904100000000, -0.0004573100000000,  0.0010415100000000 ]  - [   0.0000000000000000,  0.0002413800000000, -0.0001888400000000 ]  - [   0.0000000000000000, -0.0004164200000000, -0.0001081900000000 ]  - [   0.0000000000000000, -0.0007811700000000,  0.0007928000000000 ]  - [   0.0000000000000000, -0.0000184800000000, -0.0000325400000000 ]  - [  -0.0001595100000000,  0.0001013200000000,  0.0001813700000000 ]  - [   0.0001595100000000,  0.0001013200000000,  0.0001813700000000 ]  - [   0.0000000000000000, -0.0513366600000000, -0.0649592300000000 ]  - [   0.0000000000000000, -0.0000579300000000, -0.0000246300000000 ]  - [   0.0001027000000000,  0.0002800900000000,  0.0004106700000000 ]  - [  -0.0001027000000000,  0.0002800900000000,  0.0004106700000000 ]  - [   0.0017804100000000,  0.0015982100000000, -0.0010061200000000 ]  - [   0.0000562800000000, -0.0000697200000000,  0.0000888900000000 ]  - [   0.0000565900000000, -0.0000681100000000,  0.0000879100000000 ]  - [   0.0017940500000000,  0.0016160300000000, -0.0009955100000000 ]  - [  -0.0017804100000000,  0.0015982100000000, -0.0010061200000000 ]  - [  -0.0000562800000000, -0.0000697200000000,  0.0000888900000000 ]  - [  -0.0017940500000000,  0.0016160300000000, -0.0009955100000000 ]  - [  -0.0000565900000000, -0.0000681100000000,  0.0000879100000000 ]  - [   0.0000010700000000,  0.0000057000000000, -0.0000053900000000 ]  - [  -0.0000010700000000,  0.0000057000000000, -0.0000053900000000 ]  - [   0.0000000000000000,  0.0000136700000000,  0.0000031900000000 ]  - [   0.0000000000000000, -0.0000093500000000,  0.0000199400000000 ]  - [  -0.0000002600000000,  0.0000035900000000,  0.0000233200000000 ]  - [  -0.0000033300000000,  0.0000057100000000,  0.0000016100000000 ]  - [  -0.0000170400000000, -0.0000252200000000,  0.0000011500000000 ]  - [   0.0000097500000000, -0.0000067800000000, -0.0000079700000000 ]  - [   0.0000033300000000,  0.0000057100000000,  0.0000016100000000 ]  - [   0.0000002600000000,  0.0000035900000000,  0.0000233200000000 ]  - [   0.0000170400000000, -0.0000252200000000,  0.0000011500000000 ]  - [  -0.0000097500000000, -0.0000067800000000, -0.0000079700000000 ]  - [  -0.0000010400000000,  0.0000062300000000, -0.0000046200000000 ]  - [   0.0000010400000000,  0.0000062300000000, -0.0000046200000000 ]  - [   0.0000000000000000, -0.0000088200000000,  0.0000208300000000 ]  - [   0.0000000000000000,  0.0000152900000000,  0.0000029100000000 ]  - [  -0.0000005700000000,  0.0000027600000000,  0.0000236800000000 ]  - [  -0.0000077100000000,  0.0000035700000000,  0.0000041200000000 ]  - [  -0.0000187400000000, -0.0000212100000000,  0.0000040000000000 ]  - [   0.0000096700000000, -0.0000066400000000, -0.0000070200000000 ]  - [   0.0000005700000000,  0.0000027600000000,  0.0000236800000000 ]  - [   0.0000077100000000,  0.0000035700000000,  0.0000041200000000 ]  - [  -0.0000096700000000, -0.0000066400000000, -0.0000070200000000 ]  - [   0.0000187400000000, -0.0000212100000000,  0.0000040000000000 ]  - [   0.0000000000000000,  0.0251656700000000,  0.0302228800000000 ]  - [   0.0000000000000000,  0.0000994600000000, -0.0000861700000000 ]  - [   0.0005486100000000, -0.0003783400000000,  0.0002416400000000 ]  - [  -0.0005486100000000, -0.0003783400000000,  0.0002416400000000 ]  - [  -0.0000353800000000,  0.0000705800000000, -0.0000109000000000 ]  - [   0.0000353800000000,  0.0000705800000000, -0.0000109000000000 ]  - [   0.0000000000000000, -0.0000519100000000, -0.0000745600000000 ]  - [   0.0000000000000000, -0.0000555100000000,  0.0000420100000000 ]  - [   0.0000000000000000, -0.0000029300000000, -0.0000427800000000 ]  - [   0.0000000000000000, -0.0000300500000000, -0.0000738100000000 ]  - [   0.0000148600000000,  0.0000093100000000, -0.0000236300000000 ]  - [  -0.0000148600000000,  0.0000093100000000, -0.0000236300000000 ]  - [   0.0000000000000000, -0.0000000400000000, -0.0000097400000000 ]  - [   0.0000000000000000, -0.0000289900000000, -0.0000409900000000 ]  - [   0.0000150700000000,  0.0000112100000000,  0.0000135000000000 ]  - [  -0.0000150700000000,  0.0000112100000000,  0.0000135000000000 ]  - [   0.0000356100000000,  0.0000672300000000, -0.0000466500000000 ]  - [  -0.0000356100000000,  0.0000672300000000, -0.0000466500000000 ]  - [   0.0000000000000000, -0.0000574400000000,  0.0000011100000000 ]  - [   0.0000000000000000, -0.0000551900000000, -0.0001130300000000 ]  - [   0.0000000000000000,  0.0240634600000000,  0.0294652500000000 ]  - [   0.0000000000000000,  0.0001005800000000, -0.0000490800000000 ]  - [   0.0005499000000000, -0.0003753000000000,  0.0002833100000000 ]  - [  -0.0005499000000000, -0.0003753000000000,  0.0002833100000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0070685400000000, -0.0040641200000000,  0.0007329300000000 ]  - [   0.0068505100000000,  0.0039115300000000, -0.0005670400000000 ]  - [   0.0000528900000000, -0.0000057800000000,  0.0000758200000000 ]  - [  -0.0002495600000000, -0.0000006500000000,  0.0000740200000000 ]  - [   0.0003159800000000,  0.0000009800000000, -0.0000924200000000 ]  - [  -0.0001925400000000,  0.0000004800000000, -0.0000746700000000 ]  - [   0.0000065600000000,  0.0001139800000000, -0.0000274300000000 ]  - [   0.0000056200000000, -0.0001152500000000, -0.0001210200000000 ]  - [   0.0005636700000000,  0.0000034200000000, -0.0000012200000000 ]  - [  -0.0002029700000000,  0.0000006600000000, -0.0000013100000000 ]  - [   0.0004746300000000,  0.0000529600000000, -0.0000098300000000 ]  - [   0.0005064500000000, -0.0000314900000000,  0.0000333200000000 ]  - [   0.0000461200000000,  0.0000001100000000,  0.0000731900000000 ]  - [  -0.0000644700000000,  0.0000005400000000,  0.0000733300000000 ]  - [  -0.0000009500000000,  0.0000363300000000,  0.0000399900000000 ]  - [  -0.0000010500000000, -0.0000368400000000,  0.0001064500000000 ]  - [   0.0000133900000000,  0.0000002000000000, -0.0000743700000000 ]  - [  -0.0000108200000000, -0.0000001000000000, -0.0000745500000000 ]  - [  -0.0000018000000000,  0.0000090300000000, -0.0000787400000000 ]  - [  -0.0000024100000000, -0.0000089900000000, -0.0000700000000000 ]  - [  -0.0000026100000000,  0.0000079800000000, -0.0000216900000000 ]  - [  -0.0000024300000000, -0.0000077800000000,  0.0000202100000000 ]  - [   0.0000110300000000,  0.0000000400000000, -0.0000008000000000 ]  - [  -0.0000101800000000,  0.0000000300000000, -0.0000007900000000 ]  - [  -0.0000573600000000,  0.0000005200000000,  0.0000723300000000 ]  - [   0.0000096000000000,  0.0000000800000000,  0.0000730100000000 ]  - [   0.0000537600000000, -0.0000639600000000, -0.0001616300000000 ]  - [   0.0000533200000000,  0.0000639400000000,  0.0003068300000000 ]  - [  -0.0001917100000000,  0.0004307600000000,  0.0003153700000000 ]  - [  -0.0001924500000000, -0.0004298400000000, -0.0004617000000000 ]  - [   0.0005531500000000,  0.0000010400000000, -0.0000756100000000 ]  - [  -0.0007612600000000, -0.0000017700000000, -0.0000743200000000 ]  - [   0.0002887500000000,  0.0000001100000000, -0.0000018100000000 ]  - [  -0.0004125900000000, -0.0000001100000000, -0.0000006800000000 ]  - [   0.0000611800000000,  0.0002729300000000, -0.0001220100000000 ]  - [   0.0000598300000000, -0.0002733000000000,  0.0001194800000000 ]  - [   0.0033039400000000,  0.0000975400000000,  0.0000783600000000 ]  - [   0.0000971000000000, -0.0000029900000000,  0.0000001600000000 ]  - [   0.0003089000000000, -0.0002153400000000,  0.0005490500000000 ]  - [   0.0003058700000000,  0.0002217200000000, -0.0005498600000000 ]  - [   0.0227030100000000,  0.0112738600000000, -0.0216949600000000 ]  - [   0.0005822200000000, -0.0003304300000000,  0.0006018600000000 ]  - [   0.0000483800000000, -0.0000297400000000, -0.0000859500000000 ]  - [  -0.0000337500000000,  0.0002964300000000,  0.0000519200000000 ]  - [   0.0223280200000000, -0.0109122700000000,  0.0209303600000000 ]  - [   0.0005843500000000,  0.0003277900000000, -0.0005995900000000 ]  - [  -0.0000249900000000, -0.0002935600000000, -0.0000508000000000 ]  - [   0.0000428700000000,  0.0000306900000000,  0.0000867100000000 ]  - [   0.0000036000000000, -0.0001181600000000, -0.0000363500000000 ]  - [   0.0000005100000000,  0.0001125500000000,  0.0000349600000000 ]  - [  -0.0000504400000000,  0.0000039900000000, -0.0000021800000000 ]  - [   0.0000372900000000, -0.0000026900000000, -0.0000027100000000 ]  - [   0.0001252300000000,  0.0000370200000000, -0.0000796400000000 ]  - [  -0.0001030400000000, -0.0000308700000000,  0.0000463900000000 ]  - [  -0.0000041600000000,  0.0000306200000000, -0.0000439100000000 ]  - [   0.0000024500000000, -0.0000199500000000,  0.0000476300000000 ]  - [  -0.0000983700000000,  0.0000297300000000, -0.0000485200000000 ]  - [   0.0001220900000000, -0.0000409100000000,  0.0000769600000000 ]  - [  -0.0000043600000000, -0.0000290700000000,  0.0000408700000000 ]  - [  -0.0000042600000000,  0.0000263700000000, -0.0000505400000000 ]  - [  -0.0000024400000000,  0.0000046500000000,  0.0000160000000000 ]  - [  -0.0000031700000000, -0.0000099800000000, -0.0000162500000000 ]  - [  -0.0000450000000000,  0.0000041400000000, -0.0000005200000000 ]  - [   0.0000579300000000,  0.0000012400000000, -0.0000022100000000 ]  - [   0.0000014300000000,  0.0000283000000000, -0.0000018500000000 ]  - [   0.0000029500000000, -0.0000207100000000, -0.0000010800000000 ]  - [   0.0000140500000000, -0.0000256500000000,  0.0000239900000000 ]  - [  -0.0000167000000000,  0.0000159000000000, -0.0000166100000000 ]  - [  -0.0000002700000000, -0.0000250000000000, -0.0000015800000000 ]  - [  -0.0000044800000000,  0.0000277100000000,  0.0000008300000000 ]  - [  -0.0000156200000000, -0.0000181600000000,  0.0000173000000000 ]  - [   0.0000186900000000,  0.0000194000000000, -0.0000263000000000 ]  - [  -0.0670155100000000, -0.0003575900000000,  0.0007259600000000 ]  - [   0.0011121600000000,  0.0000033400000000, -0.0000185300000000 ]  - [   0.0000120100000000, -0.0006362600000000, -0.0002454700000000 ]  - [   0.0000112300000000,  0.0006290000000000,  0.0002040800000000 ]  - [   0.0002022300000000, -0.0002035100000000,  0.0006709700000000 ]  - [   0.0002022800000000,  0.0002052300000000, -0.0006326400000000 ]  - [  -0.0001525600000000,  0.0000014700000000,  0.0000127600000000 ]  - [   0.0001829100000000,  0.0000024600000000,  0.0000163100000000 ]  - [  -0.0001591800000000, -0.0000031700000000, -0.0000161400000000 ]  - [   0.0002908700000000,  0.0000002500000000, -0.0000130000000000 ]  - [   0.0000111000000000, -0.0000983200000000, -0.0000339700000000 ]  - [   0.0000114700000000,  0.0000971300000000,  0.0000130200000000 ]  - [   0.0000102800000000,  0.0000023000000000,  0.0000147800000000 ]  - [  -0.0000100100000000,  0.0000033600000000,  0.0000171300000000 ]  - [   0.0000108400000000,  0.0000129600000000, -0.0000688200000000 ]  - [   0.0000115200000000, -0.0000123300000000,  0.0001000800000000 ]  - [   0.0000120200000000, -0.0000993800000000, -0.0000639300000000 ]  - [   0.0000110600000000,  0.0000970500000000,  0.0000326100000000 ]  - [  -0.0001582600000000, -0.0000008900000000, -0.0000169900000000 ]  - [   0.0002922400000000, -0.0000024900000000, -0.0000197400000000 ]  - [  -0.0019962800000000,  0.0000040800000000,  0.0000144000000000 ]  - [  -0.0001017200000000,  0.0000000500000000,  0.0000148200000000 ]  - [   0.0011412600000000, -0.0018016200000000,  0.0034463500000000 ]  - [   0.0011503700000000,  0.0018250500000000, -0.0034485700000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001043500000000, -0.0000602400000000,  0.0006940700000000 ]  - [  -0.0001043500000000, -0.0000602400000000,  0.0006940700000000 ]  - [   0.0000000000000000,  0.0001204900000000,  0.0006940700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007311500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070214500000000 ]  - [   0.0000000000000000, -0.0000311800000000,  0.0001645600000000 ]  - [   0.0000270100000000,  0.0000155900000000,  0.0001645600000000 ]  - [  -0.0000270100000000,  0.0000155900000000,  0.0001645600000000 ]  - [   0.0000000000000000,  0.0006119300000000,  0.0006933400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005499300000000 ]  - [   0.0005299500000000, -0.0003059700000000,  0.0006933400000000 ]  - [  -0.0005299500000000, -0.0003059700000000,  0.0006933400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003563900000000 ]  - [   0.0000000000000000, -0.0001006600000000, -0.0001951800000000 ]  - [   0.0000871700000000,  0.0000503300000000, -0.0001951800000000 ]  - [  -0.0000871700000000,  0.0000503300000000, -0.0001951800000000 ]  - [   0.0000000000000000,  0.0000287700000000, -0.0003590500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003784100000000 ]  - [   0.0000249100000000, -0.0000143800000000, -0.0003590500000000 ]  - [  -0.0000249100000000, -0.0000143800000000, -0.0003590500000000 ]  - [   0.0000347700000000, -0.0000200700000000, -0.0004382600000000 ]  - [  -0.0000347700000000, -0.0000200700000000, -0.0004382600000000 ]  - [   0.0000000000000000,  0.0000401500000000, -0.0004382600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004058500000000 ]  - [   0.0000000000000000,  0.0001191900000000, -0.0003445200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000415000000000 ]  - [   0.0001032200000000, -0.0000595900000000, -0.0003445200000000 ]  - [  -0.0001032200000000, -0.0000595900000000, -0.0003445200000000 ]  - [   0.0003812400000000, -0.0002201100000000, -0.0002991100000000 ]  - [  -0.0003812400000000, -0.0002201100000000, -0.0002991100000000 ]  - [   0.0000000000000000,  0.0004402200000000, -0.0002991100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001618100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005043100000000 ]  - [   0.0000000000000000, -0.0003694300000000, -0.0003317400000000 ]  - [   0.0003199400000000,  0.0001847200000000, -0.0003317400000000 ]  - [  -0.0003199400000000,  0.0001847200000000, -0.0003317400000000 ]  - [   0.0000000000000000,  0.0297987400000000,  0.0294369700000000 ]  - [   0.0000000000000000,  0.0001112900000000, -0.0000684000000000 ]  - [   0.0001495100000000,  0.0001817400000000,  0.0002621600000000 ]  - [  -0.0001495100000000,  0.0001817400000000,  0.0002621600000000 ]  - [  -0.0258064700000000, -0.0148993700000000,  0.0294369700000000 ]  - [  -0.0000826400000000, -0.0002203500000000,  0.0002621600000000 ]  - [  -0.0000963800000000, -0.0000556500000000, -0.0000684000000000 ]  - [  -0.0002321500000000,  0.0000386100000000,  0.0002621600000000 ]  - [   0.0258064700000000, -0.0148993700000000,  0.0294369700000000 ]  - [   0.0000826400000000, -0.0002203500000000,  0.0002621600000000 ]  - [   0.0002321500000000,  0.0000386100000000,  0.0002621600000000 ]  - [   0.0000963800000000, -0.0000556500000000, -0.0000684000000000 ]  - [   0.0001604800000000, -0.0001789700000000, -0.0000289000000000 ]  - [  -0.0001604800000000, -0.0001789700000000, -0.0000289000000000 ]  - [   0.0000000000000000, -0.0000930600000000, -0.0000918900000000 ]  - [   0.0000000000000000, -0.0000042700000000,  0.0000167800000000 ]  - [   0.0002352300000000, -0.0000495000000000, -0.0000289000000000 ]  - [   0.0000805900000000,  0.0000465300000000, -0.0000918900000000 ]  - [   0.0000747500000000,  0.0002284600000000, -0.0000289000000000 ]  - [   0.0000037000000000,  0.0000021400000000,  0.0000167800000000 ]  - [  -0.0000805900000000,  0.0000465300000000, -0.0000918900000000 ]  - [  -0.0002352300000000, -0.0000495000000000, -0.0000289000000000 ]  - [  -0.0000747500000000,  0.0002284600000000, -0.0000289000000000 ]  - [  -0.0000037000000000,  0.0000021400000000,  0.0000167800000000 ]  - [  -0.0000100300000000, -0.0000903700000000, -0.0000109500000000 ]  - [   0.0000100300000000, -0.0000903700000000, -0.0000109500000000 ]  - [   0.0000000000000000, -0.0001021000000000, -0.0000289600000000 ]  - [   0.0000000000000000, -0.0001826400000000, -0.0000611000000000 ]  - [   0.0000884200000000,  0.0000510500000000, -0.0000289600000000 ]  - [   0.0000732500000000,  0.0000538700000000, -0.0000109500000000 ]  - [   0.0001581700000000,  0.0000913200000000, -0.0000611000000000 ]  - [   0.0000832700000000,  0.0000365000000000, -0.0000109500000000 ]  - [  -0.0000884200000000,  0.0000510500000000, -0.0000289600000000 ]  - [  -0.0000732500000000,  0.0000538700000000, -0.0000109500000000 ]  - [  -0.0000832700000000,  0.0000365000000000, -0.0000109500000000 ]  - [  -0.0001581700000000,  0.0000913200000000, -0.0000611000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1071307500000000 ]  - [   0.0000000000000000,  0.0002607500000000, -0.0011759800000000 ]  - [  -0.0002258100000000, -0.0001303700000000, -0.0011759800000000 ]  - [   0.0002258100000000, -0.0001303700000000, -0.0011759800000000 ]  - [   0.0006543300000000, -0.0003777800000000,  0.0006208200000000 ]  - [  -0.0006543300000000, -0.0003777800000000,  0.0006208200000000 ]  - [   0.0000000000000000,  0.0007555500000000,  0.0006208200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000180000000000 ]  - [   0.0000000000000000, -0.0000551400000000,  0.0004168200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009084800000000 ]  - [  -0.0000477600000000,  0.0000275700000000,  0.0004168200000000 ]  - [   0.0000477600000000,  0.0000275700000000,  0.0004168200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004908000000000 ]  - [   0.0000000000000000,  0.0000974100000000,  0.0005829000000000 ]  - [  -0.0000843600000000, -0.0000487100000000,  0.0005829000000000 ]  - [   0.0000843600000000, -0.0000487100000000,  0.0005829000000000 ]  - [  -0.0000294200000000,  0.0000169800000000,  0.0004162700000000 ]  - [   0.0000294200000000,  0.0000169800000000,  0.0004162700000000 ]  - [   0.0000000000000000, -0.0000339700000000,  0.0004162700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009122600000000 ]  - [   0.0000000000000000,  0.0039512500000000,  0.0026196100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000784000000000 ]  - [   0.0034218800000000, -0.0019756200000000,  0.0026196100000000 ]  - [  -0.0034218800000000, -0.0019756200000000,  0.0026196100000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0001343300000000,  0.0000775600000000, -0.0005388200000000 ]  - [   0.0001343300000000,  0.0000775600000000, -0.0005388200000000 ]  - [   0.0000000000000000, -0.0001551100000000, -0.0005388200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005758800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0068850100000000 ]  - [   0.0000000000000000,  0.0000309500000000, -0.0003095400000000 ]  - [  -0.0000268100000000, -0.0000154800000000, -0.0003095400000000 ]  - [   0.0000268100000000, -0.0000154800000000, -0.0003095400000000 ]  - [   0.0000000000000000, -0.0006232200000000, -0.0006781700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005407100000000 ]  - [  -0.0005397200000000,  0.0003116100000000, -0.0006781700000000 ]  - [   0.0005397200000000,  0.0003116100000000, -0.0006781700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005037100000000 ]  - [   0.0000000000000000,  0.0001002800000000,  0.0003436700000000 ]  - [  -0.0000868500000000, -0.0000501400000000,  0.0003436700000000 ]  - [   0.0000868500000000, -0.0000501400000000,  0.0003436700000000 ]  - [   0.0000000000000000, -0.0000268900000000,  0.0002090700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002298100000000 ]  - [  -0.0000232900000000,  0.0000134400000000,  0.0002090700000000 ]  - [   0.0000232900000000,  0.0000134400000000,  0.0002090700000000 ]  - [  -0.0000340300000000,  0.0000196500000000,  0.0004373500000000 ]  - [   0.0000340300000000,  0.0000196500000000,  0.0004373500000000 ]  - [   0.0000000000000000, -0.0000392900000000,  0.0004373500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004014200000000 ]  - [   0.0000000000000000, -0.0001177000000000,  0.0004931700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001898000000000 ]  - [  -0.0001019300000000,  0.0000588500000000,  0.0004931700000000 ]  - [   0.0001019300000000,  0.0000588500000000,  0.0004931700000000 ]  - [  -0.0003803500000000,  0.0002196000000000,  0.0001499900000000 ]  - [   0.0003803500000000,  0.0002196000000000,  0.0001499900000000 ]  - [   0.0000000000000000, -0.0004391900000000,  0.0001499900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003103200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005102200000000 ]  - [   0.0000000000000000,  0.0003687600000000,  0.0003309500000000 ]  - [  -0.0003193600000000, -0.0001843800000000,  0.0003309500000000 ]  - [   0.0003193600000000, -0.0001843800000000,  0.0003309500000000 ]  - [   0.0000000000000000, -0.0308623800000000, -0.0302471000000000 ]  - [   0.0000000000000000, -0.0001074000000000,  0.0000713900000000 ]  - [  -0.0001524800000000, -0.0001804000000000, -0.0002601600000000 ]  - [   0.0001524800000000, -0.0001804000000000, -0.0002601600000000 ]  - [   0.0267276000000000,  0.0154311900000000, -0.0302471000000000 ]  - [   0.0000799900000000,  0.0002222500000000, -0.0002601600000000 ]  - [   0.0000930100000000,  0.0000537000000000,  0.0000713900000000 ]  - [   0.0002324700000000, -0.0000418600000000, -0.0002601600000000 ]  - [  -0.0267276000000000,  0.0154311900000000, -0.0302471000000000 ]  - [  -0.0000799900000000,  0.0002222500000000, -0.0002601600000000 ]  - [  -0.0002324700000000, -0.0000418600000000, -0.0002601600000000 ]  - [  -0.0000930100000000,  0.0000537000000000,  0.0000713900000000 ]  - [  -0.0001562400000000,  0.0001759800000000,  0.0000281300000000 ]  - [   0.0001562400000000,  0.0001759800000000,  0.0000281300000000 ]  - [   0.0000000000000000,  0.0000978300000000,  0.0000933300000000 ]  - [   0.0000000000000000, -0.0000049400000000, -0.0000168600000000 ]  - [  -0.0002305300000000,  0.0000473200000000,  0.0000281300000000 ]  - [  -0.0000847200000000, -0.0000489100000000,  0.0000933300000000 ]  - [  -0.0000742800000000, -0.0002233000000000,  0.0000281300000000 ]  - [   0.0000042700000000,  0.0000024700000000, -0.0000168600000000 ]  - [   0.0000847200000000, -0.0000489100000000,  0.0000933300000000 ]  - [   0.0002305300000000,  0.0000473200000000,  0.0000281300000000 ]  - [   0.0000742800000000, -0.0002233000000000,  0.0000281300000000 ]  - [  -0.0000042700000000,  0.0000024700000000, -0.0000168600000000 ]  - [   0.0000127200000000,  0.0000947900000000,  0.0000119600000000 ]  - [  -0.0000127200000000,  0.0000947900000000,  0.0000119600000000 ]  - [   0.0000000000000000,  0.0001029500000000,  0.0000314600000000 ]  - [   0.0000000000000000,  0.0001732300000000,  0.0000615600000000 ]  - [  -0.0000891500000000, -0.0000514700000000,  0.0000314600000000 ]  - [  -0.0000757300000000, -0.0000584100000000,  0.0000119600000000 ]  - [  -0.0001500200000000, -0.0000866200000000,  0.0000615600000000 ]  - [  -0.0000884500000000, -0.0000363800000000,  0.0000119600000000 ]  - [   0.0000891500000000, -0.0000514700000000,  0.0000314600000000 ]  - [   0.0000757300000000, -0.0000584100000000,  0.0000119600000000 ]  - [   0.0000884500000000, -0.0000363800000000,  0.0000119600000000 ]  - [   0.0001500200000000, -0.0000866200000000,  0.0000615600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1090965200000000 ]  - [   0.0000000000000000, -0.0002590500000000,  0.0011428900000000 ]  - [   0.0002243500000000,  0.0001295300000000,  0.0011428900000000 ]  - [  -0.0002243500000000,  0.0001295300000000,  0.0011428900000000 ]  - [  -0.0006490200000000,  0.0003747100000000, -0.0005915600000000 ]  - [   0.0006490200000000,  0.0003747100000000, -0.0005915600000000 ]  - [   0.0000000000000000, -0.0007494300000000, -0.0005915600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000554300000000 ]  - [   0.0000000000000000,  0.0000514500000000, -0.0004300100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009227900000000 ]  - [   0.0000445600000000, -0.0000257200000000, -0.0004300100000000 ]  - [  -0.0000445600000000, -0.0000257200000000, -0.0004300100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004626600000000 ]  - [   0.0000000000000000, -0.0000991000000000, -0.0005548500000000 ]  - [   0.0000858200000000,  0.0000495500000000, -0.0005548500000000 ]  - [  -0.0000858200000000,  0.0000495500000000, -0.0005548500000000 ]  - [   0.0000283000000000, -0.0000163400000000, -0.0004360700000000 ]  - [  -0.0000283000000000, -0.0000163400000000, -0.0004360700000000 ]  - [   0.0000000000000000,  0.0000326700000000, -0.0004360700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009249400000000 ]  - [   0.0000000000000000, -0.0040090600000000, -0.0026091200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000976600000000 ]  - [  -0.0034719500000000,  0.0020045300000000, -0.0026091200000000 ]  - [   0.0034719500000000,  0.0020045300000000, -0.0026091200000000 ]