# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ecfd306c-7296-4961-8bbb-4f6edf94eeff/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 CsMgP(H6O5)2 / F-43m (216) / materials id 761178](https://mdr.nims.go.jp/datasets/e3107038-cfde-43f7-bb09-ee42350c7034)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "F-43m"  number: 216  Hall_symbol: "F -4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     4.990018510000000,     4.990018510000000 ] # a  - [     4.990018510000000,     0.000000000000000,     4.990018510000000 ] # b  - [     4.990018510000000,     4.990018510000000,     0.000000000000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Mg # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: P  # 3    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 30.973762  - symbol: H  # 4    coordinates: [  0.617617890000000,  0.854867690000000,  0.263757210000000 ]    mass: 1.007940  - symbol: H  # 5    coordinates: [  0.263757210000000,  0.854867690000000,  0.617617890000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.263757210000000,  0.854867690000000,  0.263757210000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.263757210000000,  0.617617890000000,  0.263757210000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.617617890000000,  0.263757210000000,  0.263757210000000 ]    mass: 1.007940  - symbol: H  # 9    coordinates: [  0.263757210000000,  0.263757210000000,  0.617617890000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.854867690000000,  0.617617890000000,  0.263757210000000 ]    mass: 1.007940  - symbol: H  # 11    coordinates: [  0.854867690000000,  0.263757210000000,  0.263757210000000 ]    mass: 1.007940  - symbol: H  # 12    coordinates: [  0.854867690000000,  0.263757210000000,  0.617617890000000 ]    mass: 1.007940  - symbol: H  # 13    coordinates: [  0.263757210000000,  0.617617890000000,  0.854867690000000 ]    mass: 1.007940  - symbol: H  # 14    coordinates: [  0.617617890000000,  0.263757210000000,  0.854867690000000 ]    mass: 1.007940  - symbol: H  # 15    coordinates: [  0.263757210000000,  0.263757210000000,  0.854867690000000 ]    mass: 1.007940  - symbol: O  # 16    coordinates: [  0.792499410000000,  0.792499410000000,  0.207500590000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.339903230000000,  0.980290310000000,  0.339903230000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.207500590000000,  0.792499410000000,  0.207500590000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.792499410000000,  0.207500590000000,  0.207500590000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.207500590000000,  0.792499410000000,  0.792499410000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.339903230000000,  0.339903230000000,  0.339903230000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.207500590000000,  0.207500590000000,  0.792499410000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.980290310000000,  0.339903230000000,  0.339903230000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.792499410000000,  0.207500590000000,  0.792499410000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.339903230000000,  0.339903230000000,  0.980290310000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [    -0.100200029117728,     0.100200029117728,     0.100200029117728 ] # a*  - [     0.100200029117728,    -0.100200029117728,     0.100200029117728 ] # b*  - [     0.100200029117728,     0.100200029117728,    -0.100200029117728 ] # c*unit_cell:  lattice:  - [     9.980037019999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.980037019999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.980037019999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Mg # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: P  # 9    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 11    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 12    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: H  # 13    coordinates: [  0.059312450000000,  0.440687550000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.236242790000000,  0.440687550000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.059312450000000,  0.263757210000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.940687550000000,  0.263757210000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.763757210000000,  0.440687550000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.940687550000000,  0.440687550000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 19    coordinates: [  0.440687550000000,  0.059312450000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.263757210000000,  0.059312450000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 21    coordinates: [  0.440687550000000,  0.236242790000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.736242790000000,  0.059312450000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 23    coordinates: [  0.559312450000000,  0.236242790000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.559312450000000,  0.059312450000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 25    coordinates: [  0.059312450000000,  0.940687550000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 26    coordinates: [  0.236242790000000,  0.940687550000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 27    coordinates: [  0.059312450000000,  0.763757210000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 28    coordinates: [  0.940687550000000,  0.763757210000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 29    coordinates: [  0.763757210000000,  0.940687550000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 30    coordinates: [  0.940687550000000,  0.940687550000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 31    coordinates: [  0.440687550000000,  0.559312450000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 32    coordinates: [  0.263757210000000,  0.559312450000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 33    coordinates: [  0.440687550000000,  0.736242790000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 34    coordinates: [  0.736242790000000,  0.559312450000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 35    coordinates: [  0.559312450000000,  0.736242790000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 36    coordinates: [  0.559312450000000,  0.559312450000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 37    coordinates: [  0.559312450000000,  0.440687550000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 38    coordinates: [  0.736242790000000,  0.440687550000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 39    coordinates: [  0.559312450000000,  0.263757210000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 40    coordinates: [  0.440687550000000,  0.263757210000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 41    coordinates: [  0.263757210000000,  0.440687550000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 42    coordinates: [  0.440687550000000,  0.440687550000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 43    coordinates: [  0.940687550000000,  0.059312450000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 44    coordinates: [  0.763757210000000,  0.059312450000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 45    coordinates: [  0.940687550000000,  0.236242790000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 46    coordinates: [  0.236242790000000,  0.059312450000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 47    coordinates: [  0.059312450000000,  0.236242790000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 48    coordinates: [  0.059312450000000,  0.059312450000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 49    coordinates: [  0.559312450000000,  0.940687550000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 50    coordinates: [  0.736242790000000,  0.940687550000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 51    coordinates: [  0.559312450000000,  0.763757210000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 52    coordinates: [  0.440687550000000,  0.763757210000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 53    coordinates: [  0.263757210000000,  0.940687550000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 54    coordinates: [  0.440687550000000,  0.940687550000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 55    coordinates: [  0.940687550000000,  0.559312450000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 56    coordinates: [  0.763757210000000,  0.559312450000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 57    coordinates: [  0.940687550000000,  0.736242790000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 58    coordinates: [  0.236242790000000,  0.559312450000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 59    coordinates: [  0.059312450000000,  0.736242790000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 60    coordinates: [  0.059312450000000,  0.559312450000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: O  # 61    coordinates: [  0.500000000000000,  0.000000000000000,  0.292499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.160096770000000,  0.339903230000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.000000000000000,  0.207500590000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.207500590000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.792499410000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.839903230000000,  0.339903230000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.707500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.339903230000000,  0.160096770000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 69    coordinates: [  0.500000000000000,  0.292499410000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.660096770000000,  0.160096770000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 71    coordinates: [  0.500000000000000,  0.500000000000000,  0.792499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 72    coordinates: [  0.160096770000000,  0.839903230000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.707500590000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 74    coordinates: [  0.207500590000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 75    coordinates: [  0.792499410000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 76    coordinates: [  0.839903230000000,  0.839903230000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 77    coordinates: [  0.500000000000000,  0.500000000000000,  0.207500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 78    coordinates: [  0.339903230000000,  0.660096770000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 79    coordinates: [  0.500000000000000,  0.792499410000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 80    coordinates: [  0.660096770000000,  0.660096770000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.792499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 82    coordinates: [  0.660096770000000,  0.339903230000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 83    coordinates: [  0.500000000000000,  0.207500590000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 84    coordinates: [  0.707500590000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 85    coordinates: [  0.292499410000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 86    coordinates: [  0.339903230000000,  0.339903230000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 87    coordinates: [  0.000000000000000,  0.000000000000000,  0.207500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 88    coordinates: [  0.839903230000000,  0.160096770000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 89    coordinates: [  0.000000000000000,  0.292499410000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 90    coordinates: [  0.160096770000000,  0.160096770000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.292499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 92    coordinates: [  0.660096770000000,  0.839903230000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 93    coordinates: [  0.500000000000000,  0.707500590000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 94    coordinates: [  0.707500590000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 95    coordinates: [  0.292499410000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 96    coordinates: [  0.339903230000000,  0.839903230000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 97    coordinates: [  0.000000000000000,  0.500000000000000,  0.707500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 98    coordinates: [  0.839903230000000,  0.660096770000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 99    coordinates: [  0.000000000000000,  0.792499410000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 100    coordinates: [  0.160096770000000,  0.660096770000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 70supercell:  lattice:  - [     9.980037019999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.980037019999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.980037019999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Mg # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: P  # 9    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 11    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 12    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 9  - symbol: H  # 13    coordinates: [  0.059312450000000,  0.440687550000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.236242790000000,  0.440687550000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.059312450000000,  0.263757210000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.940687550000000,  0.263757210000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.763757210000000,  0.440687550000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.940687550000000,  0.440687550000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 19    coordinates: [  0.440687550000000,  0.059312450000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.263757210000000,  0.059312450000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 21    coordinates: [  0.440687550000000,  0.236242790000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.736242790000000,  0.059312450000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 23    coordinates: [  0.559312450000000,  0.236242790000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.559312450000000,  0.059312450000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 25    coordinates: [  0.059312450000000,  0.940687550000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 26    coordinates: [  0.236242790000000,  0.940687550000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 27    coordinates: [  0.059312450000000,  0.763757210000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 28    coordinates: [  0.940687550000000,  0.763757210000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 29    coordinates: [  0.763757210000000,  0.940687550000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 30    coordinates: [  0.940687550000000,  0.940687550000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 31    coordinates: [  0.440687550000000,  0.559312450000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 32    coordinates: [  0.263757210000000,  0.559312450000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 33    coordinates: [  0.440687550000000,  0.736242790000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 34    coordinates: [  0.736242790000000,  0.559312450000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 35    coordinates: [  0.559312450000000,  0.736242790000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 36    coordinates: [  0.559312450000000,  0.559312450000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 37    coordinates: [  0.559312450000000,  0.440687550000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 38    coordinates: [  0.736242790000000,  0.440687550000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 39    coordinates: [  0.559312450000000,  0.263757210000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 40    coordinates: [  0.440687550000000,  0.263757210000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 41    coordinates: [  0.263757210000000,  0.440687550000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 42    coordinates: [  0.440687550000000,  0.440687550000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 43    coordinates: [  0.940687550000000,  0.059312450000000,  0.736242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 44    coordinates: [  0.763757210000000,  0.059312450000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 45    coordinates: [  0.940687550000000,  0.236242790000000,  0.559312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 46    coordinates: [  0.236242790000000,  0.059312450000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 47    coordinates: [  0.059312450000000,  0.236242790000000,  0.440687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 48    coordinates: [  0.059312450000000,  0.059312450000000,  0.263757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 49    coordinates: [  0.559312450000000,  0.940687550000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 50    coordinates: [  0.736242790000000,  0.940687550000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 51    coordinates: [  0.559312450000000,  0.763757210000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 52    coordinates: [  0.440687550000000,  0.763757210000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 53    coordinates: [  0.263757210000000,  0.940687550000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 54    coordinates: [  0.440687550000000,  0.940687550000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 55    coordinates: [  0.940687550000000,  0.559312450000000,  0.236242790000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 56    coordinates: [  0.763757210000000,  0.559312450000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 57    coordinates: [  0.940687550000000,  0.736242790000000,  0.059312450000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 58    coordinates: [  0.236242790000000,  0.559312450000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 59    coordinates: [  0.059312450000000,  0.736242790000000,  0.940687550000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 60    coordinates: [  0.059312450000000,  0.559312450000000,  0.763757210000000 ]    mass: 1.007940    reduced_to: 24  - symbol: O  # 61    coordinates: [  0.500000000000000,  0.000000000000000,  0.292499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.160096770000000,  0.339903230000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.000000000000000,  0.207500590000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.207500590000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.792499410000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.839903230000000,  0.339903230000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.707500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.339903230000000,  0.160096770000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 69    coordinates: [  0.500000000000000,  0.292499410000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.660096770000000,  0.160096770000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 71    coordinates: [  0.500000000000000,  0.500000000000000,  0.792499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 72    coordinates: [  0.160096770000000,  0.839903230000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.707500590000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 74    coordinates: [  0.207500590000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 75    coordinates: [  0.792499410000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 76    coordinates: [  0.839903230000000,  0.839903230000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 77    coordinates: [  0.500000000000000,  0.500000000000000,  0.207500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 78    coordinates: [  0.339903230000000,  0.660096770000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 79    coordinates: [  0.500000000000000,  0.792499410000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 80    coordinates: [  0.660096770000000,  0.660096770000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.792499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 82    coordinates: [  0.660096770000000,  0.339903230000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 83    coordinates: [  0.500000000000000,  0.207500590000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 84    coordinates: [  0.707500590000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 85    coordinates: [  0.292499410000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 86    coordinates: [  0.339903230000000,  0.339903230000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 87    coordinates: [  0.000000000000000,  0.000000000000000,  0.207500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 88    coordinates: [  0.839903230000000,  0.160096770000000,  0.660096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 89    coordinates: [  0.000000000000000,  0.292499410000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 90    coordinates: [  0.160096770000000,  0.160096770000000,  0.339903230000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.292499410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 92    coordinates: [  0.660096770000000,  0.839903230000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 93    coordinates: [  0.500000000000000,  0.707500590000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 94    coordinates: [  0.707500590000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 95    coordinates: [  0.292499410000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 96    coordinates: [  0.339903230000000,  0.839903230000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 97    coordinates: [  0.000000000000000,  0.500000000000000,  0.707500590000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 98    coordinates: [  0.839903230000000,  0.660096770000000,  0.160096770000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 99    coordinates: [  0.000000000000000,  0.792499410000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 100    coordinates: [  0.160096770000000,  0.660096770000000,  0.839903230000000 ]    mass: 15.999400    reduced_to: 70displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0071869700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003047300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009412800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009412800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006315800000000,  0.0018359800000000, -0.0018359800000000 ]  - [   0.0006315800000000, -0.0018359800000000,  0.0018359800000000 ]  - [   0.0006210600000000, -0.0018452800000000, -0.0018452800000000 ]  - [   0.0006210600000000,  0.0018452800000000,  0.0018452800000000 ]  - [  -0.0030237000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0030237000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0079251600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008010700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000905200000000, -0.0000876100000000,  0.0000975200000000 ]  - [  -0.0005382700000000, -0.0004784700000000,  0.0001588600000000 ]  - [  -0.0007220500000000, -0.0007252000000000, -0.0017436900000000 ]  - [   0.0021252300000000, -0.0006307100000000, -0.0004374200000000 ]  - [   0.0006108100000000, -0.0005561900000000, -0.0005561900000000 ]  - [   0.0021252300000000, -0.0004374200000000, -0.0006307100000000 ]  - [  -0.0001475800000000, -0.0000322100000000,  0.0000407300000000 ]  - [  -0.0006810300000000, -0.0004232700000000, -0.0001140600000000 ]  - [  -0.0007866000000000, -0.0005896900000000,  0.0018038800000000 ]  - [   0.0007537400000000, -0.0005098000000000,  0.0005098000000000 ]  - [   0.0021845700000000, -0.0004891000000000,  0.0004018300000000 ]  - [   0.0021845700000000, -0.0004018300000000,  0.0004891000000000 ]  - [  -0.0007220500000000,  0.0017436900000000,  0.0007252000000000 ]  - [  -0.0005382700000000, -0.0001588600000000,  0.0004784700000000 ]  - [  -0.0000905200000000, -0.0000975200000000,  0.0000876100000000 ]  - [   0.0002278500000000, -0.0001311300000000,  0.0001557100000000 ]  - [   0.0000436400000000, -0.0001659400000000, -0.0001659400000000 ]  - [   0.0002278500000000,  0.0001557100000000, -0.0001311300000000 ]  - [  -0.0007866000000000,  0.0018038800000000, -0.0005896900000000 ]  - [  -0.0006810300000000, -0.0001140600000000, -0.0004232700000000 ]  - [  -0.0001475800000000,  0.0000407300000000, -0.0000322100000000 ]  - [   0.0001814400000000, -0.0001103400000000,  0.0001103400000000 ]  - [   0.0002797300000000,  0.0000092200000000, -0.0002083000000000 ]  - [   0.0002797300000000,  0.0002083000000000, -0.0000092200000000 ]  - [   0.0021845700000000,  0.0004018300000000, -0.0004891000000000 ]  - [   0.0007537400000000,  0.0005098000000000, -0.0005098000000000 ]  - [   0.0021845700000000,  0.0004891000000000, -0.0004018300000000 ]  - [  -0.0007866000000000,  0.0005896900000000, -0.0018038800000000 ]  - [  -0.0006810300000000,  0.0004232700000000,  0.0001140600000000 ]  - [  -0.0001475800000000,  0.0000322100000000, -0.0000407300000000 ]  - [   0.0021252300000000,  0.0004374200000000,  0.0006307100000000 ]  - [   0.0006108100000000,  0.0005561900000000,  0.0005561900000000 ]  - [   0.0021252300000000,  0.0006307100000000,  0.0004374200000000 ]  - [  -0.0005382700000000,  0.0004784700000000, -0.0001588600000000 ]  - [  -0.0007220500000000,  0.0007252000000000,  0.0017436900000000 ]  - [  -0.0000905200000000,  0.0000876100000000, -0.0000975200000000 ]  - [   0.0002797300000000, -0.0002083000000000,  0.0000092200000000 ]  - [   0.0001814400000000,  0.0001103400000000, -0.0001103400000000 ]  - [   0.0002797300000000, -0.0000092200000000,  0.0002083000000000 ]  - [  -0.0001475800000000, -0.0000407300000000,  0.0000322100000000 ]  - [  -0.0006810300000000,  0.0001140600000000,  0.0004232700000000 ]  - [  -0.0007866000000000, -0.0018038800000000,  0.0005896900000000 ]  - [   0.0002278500000000, -0.0001557100000000,  0.0001311300000000 ]  - [   0.0000436400000000,  0.0001659400000000,  0.0001659400000000 ]  - [   0.0002278500000000,  0.0001311300000000, -0.0001557100000000 ]  - [  -0.0005382700000000,  0.0001588600000000, -0.0004784700000000 ]  - [  -0.0000905200000000,  0.0000975200000000, -0.0000876100000000 ]  - [  -0.0007220500000000, -0.0017436900000000, -0.0007252000000000 ]  - [  -0.0000829000000000,  0.0003207700000000,  0.0002907500000000 ]  - [   0.0015509500000000,  0.0001993700000000,  0.0008515800000000 ]  - [  -0.0009363500000000,  0.0001296100000000,  0.0019494700000000 ]  - [   0.0014431200000000, -0.0003036700000000,  0.0003036700000000 ]  - [  -0.0009037600000000,  0.0000528700000000, -0.0000528700000000 ]  - [  -0.0037065600000000, -0.0004873800000000, -0.0004873800000000 ]  - [  -0.0009052900000000,  0.0019426400000000, -0.0001807400000000 ]  - [   0.0015719100000000,  0.0001866000000000, -0.0008640000000000 ]  - [  -0.0009052900000000,  0.0001807400000000, -0.0019426400000000 ]  - [  -0.0037280500000000, -0.0004929900000000,  0.0004929900000000 ]  - [  -0.0009052900000000, -0.0019426400000000,  0.0001807400000000 ]  - [   0.0015509500000000, -0.0008515800000000, -0.0001993700000000 ]  - [  -0.0000877900000000,  0.0002417400000000, -0.0003217000000000 ]  - [   0.0014431200000000,  0.0003036700000000, -0.0003036700000000 ]  - [  -0.0009037600000000, -0.0000528700000000,  0.0000528700000000 ]  - [  -0.0004706400000000, -0.0000708300000000, -0.0000708300000000 ]  - [  -0.0000829000000000, -0.0003207700000000, -0.0002907500000000 ]  - [   0.0015719100000000, -0.0008640000000000,  0.0001866000000000 ]  - [  -0.0000829000000000,  0.0002907500000000,  0.0003207700000000 ]  - [  -0.0004812300000000, -0.0000843300000000,  0.0000843300000000 ]  - [  -0.0009363500000000, -0.0019494700000000, -0.0001296100000000 ]  - [  -0.0037280500000000,  0.0004929900000000, -0.0004929900000000 ]  - [  -0.0009052900000000, -0.0001807400000000,  0.0019426400000000 ]  - [  -0.0009509600000000, -0.0000467500000000, -0.0000467500000000 ]  - [   0.0014972600000000,  0.0002948000000000,  0.0002948000000000 ]  - [   0.0015719100000000, -0.0001866000000000,  0.0008640000000000 ]  - [  -0.0000877900000000, -0.0003217000000000,  0.0002417400000000 ]  - [  -0.0037065600000000,  0.0004873800000000,  0.0004873800000000 ]  - [  -0.0009363500000000, -0.0001296100000000, -0.0019494700000000 ]  - [   0.0015509500000000, -0.0001993700000000, -0.0008515800000000 ]  - [  -0.0000877900000000,  0.0003217000000000, -0.0002417400000000 ]  - [  -0.0004812300000000,  0.0000843300000000, -0.0000843300000000 ]  - [  -0.0000829000000000, -0.0002907500000000, -0.0003207700000000 ]  - [  -0.0009509600000000,  0.0000467500000000,  0.0000467500000000 ]  - [   0.0014972600000000, -0.0002948000000000, -0.0002948000000000 ]  - [   0.0015719100000000,  0.0008640000000000, -0.0001866000000000 ]  - [  -0.0009363500000000,  0.0019494700000000,  0.0001296100000000 ]  - [  -0.0004706400000000,  0.0000708300000000,  0.0000708300000000 ]  - [  -0.0000877900000000, -0.0002417400000000,  0.0003217000000000 ]  - [   0.0015509500000000,  0.0008515800000000,  0.0001993700000000 ]- atom:    5  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006147300000000,  0.0018444500000000, -0.0018444500000000 ]  - [   0.0006147300000000, -0.0018444500000000,  0.0018444500000000 ]  - [   0.0006224200000000, -0.0018375900000000, -0.0018375900000000 ]  - [   0.0006224200000000,  0.0018375900000000,  0.0018375900000000 ]  - [  -0.1107765300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0012009200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013717000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013717000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0026237900000000,  0.0044242200000000,  0.0044242200000000 ]  - [  -0.0026237900000000, -0.0044242200000000, -0.0044242200000000 ]  - [  -0.0025798900000000, -0.0043957700000000,  0.0043957700000000 ]  - [  -0.0025798900000000,  0.0043957700000000, -0.0043957700000000 ]  - [  -0.0008177500000000,  0.0005331100000000,  0.0005309900000000 ]  - [   0.0000859500000000,  0.0002695300000000, -0.0001302900000000 ]  - [  -0.0020670000000000,  0.0026220100000000, -0.0014175200000000 ]  - [  -0.0020782900000000, -0.0027573000000000, -0.0014684800000000 ]  - [  -0.0000495000000000, -0.0003244400000000, -0.0001855000000000 ]  - [  -0.0008701400000000, -0.0005879300000000,  0.0003937500000000 ]  - [   0.0020380600000000, -0.0010494000000000,  0.0013070100000000 ]  - [   0.0060955400000000,  0.0068292200000000,  0.0068292200000000 ]  - [   0.0020380600000000,  0.0013070100000000, -0.0010494000000000 ]  - [   0.0060792700000000, -0.0067504000000000,  0.0067504000000000 ]  - [   0.0020894800000000, -0.0011658900000000, -0.0011016400000000 ]  - [   0.0020894800000000,  0.0011016400000000,  0.0011658900000000 ]  - [  -0.0020670000000000,  0.0014175200000000, -0.0026220100000000 ]  - [   0.0000859500000000,  0.0001302900000000, -0.0002695300000000 ]  - [  -0.0008177500000000, -0.0005309900000000, -0.0005331100000000 ]  - [  -0.0008701400000000,  0.0003937500000000, -0.0005879300000000 ]  - [  -0.0000495000000000, -0.0001855000000000, -0.0003244400000000 ]  - [  -0.0020782900000000, -0.0014684800000000, -0.0027573000000000 ]  - [   0.0006762700000000, -0.0004435800000000,  0.0003703100000000 ]  - [  -0.0001897900000000, -0.0001936200000000, -0.0001936200000000 ]  - [   0.0006762700000000,  0.0003703100000000, -0.0004435800000000 ]  - [  -0.0000494000000000,  0.0002459100000000, -0.0002459100000000 ]  - [   0.0007311000000000, -0.0002321600000000, -0.0004972700000000 ]  - [   0.0007311000000000,  0.0004972700000000,  0.0002321600000000 ]  - [   0.0007311000000000, -0.0004972700000000, -0.0002321600000000 ]  - [  -0.0000494000000000, -0.0002459100000000,  0.0002459100000000 ]  - [   0.0007311000000000,  0.0002321600000000,  0.0004972700000000 ]  - [   0.0006762700000000, -0.0003703100000000,  0.0004435800000000 ]  - [  -0.0001897900000000,  0.0001936200000000,  0.0001936200000000 ]  - [   0.0006762700000000,  0.0004435800000000, -0.0003703100000000 ]  - [  -0.0020782900000000,  0.0014684800000000,  0.0027573000000000 ]  - [  -0.0000495000000000,  0.0001855000000000,  0.0003244400000000 ]  - [  -0.0008701400000000, -0.0003937500000000,  0.0005879300000000 ]  - [   0.0000859500000000, -0.0001302900000000,  0.0002695300000000 ]  - [  -0.0008177500000000,  0.0005309900000000,  0.0005331100000000 ]  - [  -0.0020670000000000, -0.0014175200000000,  0.0026220100000000 ]  - [   0.0020894800000000, -0.0011016400000000, -0.0011658900000000 ]  - [   0.0060792700000000,  0.0067504000000000, -0.0067504000000000 ]  - [   0.0020894800000000,  0.0011658900000000,  0.0011016400000000 ]  - [   0.0020380600000000, -0.0013070100000000,  0.0010494000000000 ]  - [   0.0060955400000000, -0.0068292200000000, -0.0068292200000000 ]  - [   0.0020380600000000,  0.0010494000000000, -0.0013070100000000 ]  - [  -0.0008701400000000,  0.0005879300000000, -0.0003937500000000 ]  - [  -0.0000495000000000,  0.0003244400000000,  0.0001855000000000 ]  - [  -0.0020782900000000,  0.0027573000000000,  0.0014684800000000 ]  - [   0.0000859500000000, -0.0002695300000000,  0.0001302900000000 ]  - [  -0.0020670000000000, -0.0026220100000000,  0.0014175200000000 ]  - [  -0.0008177500000000, -0.0005331100000000, -0.0005309900000000 ]  - [  -0.0026978100000000,  0.0011106600000000,  0.0000198100000000 ]  - [   0.0016946600000000, -0.0013232100000000,  0.0002057300000000 ]  - [   0.0107210900000000, -0.0001250800000000,  0.0033251500000000 ]  - [   0.0318835000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0293773900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016798300000000,  0.0013312200000000,  0.0002048400000000 ]  - [  -0.0026978100000000, -0.0011106600000000, -0.0000198100000000 ]  - [  -0.0027254900000000, -0.0053315100000000, -0.0053315100000000 ]  - [  -0.0026978100000000,  0.0000198100000000,  0.0011106600000000 ]  - [  -0.0027328600000000,  0.0052855200000000, -0.0052855200000000 ]  - [  -0.0011646600000000,  0.0003403700000000,  0.0000227000000000 ]  - [   0.0016946600000000, -0.0002057300000000,  0.0013232100000000 ]  - [   0.0013676800000000, -0.0000234800000000,  0.0005131200000000 ]  - [   0.0005588400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005986600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016798300000000,  0.0002048400000000,  0.0013312200000000 ]  - [  -0.0011646600000000, -0.0003403700000000, -0.0000227000000000 ]  - [  -0.0004336400000000,  0.0015165300000000,  0.0015165300000000 ]  - [  -0.0011646600000000,  0.0000227000000000,  0.0003403700000000 ]  - [  -0.0004546400000000, -0.0015247600000000,  0.0015247600000000 ]  - [   0.0107210900000000, -0.0033251500000000,  0.0001250800000000 ]  - [  -0.0004546400000000,  0.0015247600000000, -0.0015247600000000 ]  - [  -0.0011646600000000, -0.0000227000000000, -0.0003403700000000 ]  - [  -0.0004719000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004206800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004336400000000, -0.0015165300000000, -0.0015165300000000 ]  - [   0.0107210900000000,  0.0033251500000000, -0.0001250800000000 ]  - [   0.0016798300000000, -0.0002048400000000, -0.0013312200000000 ]  - [   0.0013676800000000,  0.0000234800000000, -0.0005131200000000 ]  - [   0.0016946600000000,  0.0002057300000000, -0.0013232100000000 ]  - [   0.0013676800000000, -0.0005131200000000,  0.0000234800000000 ]  - [  -0.0027328600000000, -0.0052855200000000,  0.0052855200000000 ]  - [  -0.0026978100000000, -0.0000198100000000, -0.0011106600000000 ]  - [  -0.0004719000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004206800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0027254900000000,  0.0053315100000000,  0.0053315100000000 ]  - [   0.0013676800000000,  0.0005131200000000, -0.0000234800000000 ]  - [   0.0016798300000000, -0.0013312200000000, -0.0002048400000000 ]  - [   0.0107210900000000,  0.0001250800000000, -0.0033251500000000 ]  - [   0.0016946600000000,  0.0013232100000000, -0.0002057300000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0030355600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0030355600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0079152300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007874900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0025963100000000,  0.0044003500000000,  0.0044003500000000 ]  - [  -0.0025963100000000, -0.0044003500000000, -0.0044003500000000 ]  - [  -0.0026170900000000, -0.0044197100000000,  0.0044197100000000 ]  - [  -0.0026170900000000,  0.0044197100000000, -0.0044197100000000 ]  - [  -0.5941340899999999,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0056741400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0071088700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0071088700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0140882900000000, -0.0153716800000000, -0.0054394000000000 ]  - [  -0.0149881700000000, -0.0151215500000000,  0.0151215500000000 ]  - [   0.0140882900000000,  0.0054394000000000,  0.0153716800000000 ]  - [   0.0032140700000000, -0.0028154100000000,  0.0025826800000000 ]  - [   0.0008992200000000, -0.0007264100000000, -0.0005311700000000 ]  - [   0.0004072400000000, -0.0003509900000000, -0.0001063700000000 ]  - [   0.0140154700000000, -0.0154295900000000,  0.0055513900000000 ]  - [  -0.0150611000000000, -0.0150442700000000, -0.0150442700000000 ]  - [   0.0140154700000000,  0.0055513900000000, -0.0154295900000000 ]  - [   0.0010385300000000, -0.0006745500000000,  0.0004764100000000 ]  - [   0.0032791200000000, -0.0026903600000000, -0.0026471400000000 ]  - [   0.0004536600000000, -0.0003038700000000, -0.0000357800000000 ]  - [  -0.0003875800000000,  0.0002118400000000, -0.0003287500000000 ]  - [   0.0020596500000000,  0.0013471800000000, -0.0013471800000000 ]  - [  -0.0003875800000000,  0.0003287500000000, -0.0002118400000000 ]  - [   0.0004072400000000, -0.0001063700000000, -0.0003509900000000 ]  - [   0.0008992200000000, -0.0005311700000000, -0.0007264100000000 ]  - [   0.0032140700000000,  0.0025826800000000, -0.0028154100000000 ]  - [  -0.0004464300000000,  0.0002671000000000,  0.0004666400000000 ]  - [   0.0019236900000000,  0.0013975400000000,  0.0013975400000000 ]  - [  -0.0004464300000000,  0.0004666400000000,  0.0002671000000000 ]  - [   0.0010385300000000, -0.0004764100000000,  0.0006745500000000 ]  - [   0.0004536600000000,  0.0000357800000000,  0.0003038700000000 ]  - [   0.0032791200000000,  0.0026471400000000,  0.0026903600000000 ]  - [   0.0004536600000000,  0.0003038700000000,  0.0000357800000000 ]  - [   0.0010385300000000,  0.0006745500000000, -0.0004764100000000 ]  - [   0.0032791200000000,  0.0026903600000000,  0.0026471400000000 ]  - [   0.0140154700000000, -0.0055513900000000,  0.0154295900000000 ]  - [  -0.0150611000000000,  0.0150442700000000,  0.0150442700000000 ]  - [   0.0140154700000000,  0.0154295900000000, -0.0055513900000000 ]  - [   0.0004072400000000,  0.0003509900000000,  0.0001063700000000 ]  - [   0.0008992200000000,  0.0007264100000000,  0.0005311700000000 ]  - [   0.0032140700000000,  0.0028154100000000, -0.0025826800000000 ]  - [  -0.0149881700000000,  0.0151215500000000, -0.0151215500000000 ]  - [   0.0140882900000000, -0.0054394000000000, -0.0153716800000000 ]  - [   0.0140882900000000,  0.0153716800000000,  0.0054394000000000 ]  - [   0.0032791200000000, -0.0026471400000000, -0.0026903600000000 ]  - [   0.0010385300000000,  0.0004764100000000, -0.0006745500000000 ]  - [   0.0004536600000000, -0.0000357800000000, -0.0003038700000000 ]  - [  -0.0004464300000000, -0.0004666400000000, -0.0002671000000000 ]  - [   0.0019236900000000, -0.0013975400000000, -0.0013975400000000 ]  - [  -0.0004464300000000, -0.0002671000000000, -0.0004666400000000 ]  - [   0.0032140700000000, -0.0025826800000000,  0.0028154100000000 ]  - [   0.0008992200000000,  0.0005311700000000,  0.0007264100000000 ]  - [   0.0004072400000000,  0.0001063700000000,  0.0003509900000000 ]  - [   0.0020596500000000, -0.0013471800000000,  0.0013471800000000 ]  - [  -0.0003875800000000, -0.0003287500000000,  0.0002118400000000 ]  - [  -0.0003875800000000, -0.0002118400000000,  0.0003287500000000 ]  - [  -0.0085645600000000,  0.0095920300000000, -0.0044423700000000 ]  - [   0.1372830000000000, -0.0754945800000000,  0.0754945800000000 ]  - [  -0.0085917600000000, -0.0045181500000000, -0.0095675900000000 ]  - [   0.0114651300000000,  0.0106727400000000,  0.0106727400000000 ]  - [  -0.0023554000000000, -0.0003882200000000, -0.0003882200000000 ]  - [  -0.0040092200000000,  0.0006645300000000, -0.0022078900000000 ]  - [   0.0006067200000000,  0.0009632300000000,  0.0000783100000000 ]  - [   0.1398618100000000, -0.0795429200000000, -0.0795429200000000 ]  - [  -0.0085645600000000, -0.0044423700000000,  0.0095920300000000 ]  - [  -0.0040190100000000,  0.0006606500000000,  0.0022230600000000 ]  - [   0.0006067200000000, -0.0009632300000000, -0.0000783100000000 ]  - [   0.0010719800000000, -0.0016516600000000,  0.0016516600000000 ]  - [   0.0005947400000000, -0.0001285500000000,  0.0009569400000000 ]  - [   0.0114651300000000, -0.0106727400000000, -0.0106727400000000 ]  - [  -0.0023554000000000,  0.0003882200000000,  0.0003882200000000 ]  - [  -0.0040092200000000, -0.0022078900000000,  0.0006645300000000 ]  - [  -0.0085645600000000, -0.0095920300000000,  0.0044423700000000 ]  - [   0.0010878900000000, -0.0016585400000000, -0.0016585400000000 ]  - [   0.0006067200000000, -0.0000783100000000, -0.0009632300000000 ]  - [  -0.0040190100000000, -0.0022230600000000, -0.0006606500000000 ]  - [   0.0005947400000000, -0.0009569400000000,  0.0001285500000000 ]  - [  -0.0040190100000000, -0.0006606500000000, -0.0022230600000000 ]  - [  -0.0085645600000000,  0.0044423700000000, -0.0095920300000000 ]  - [  -0.0024056100000000,  0.0003936400000000, -0.0003936400000000 ]  - [   0.0115929600000000, -0.0107152300000000,  0.0107152300000000 ]  - [   0.1398618100000000,  0.0795429200000000,  0.0795429200000000 ]  - [  -0.0085917600000000, -0.0095675900000000, -0.0045181500000000 ]  - [  -0.0040092200000000, -0.0006645300000000,  0.0022078900000000 ]  - [  -0.0085917600000000,  0.0045181500000000,  0.0095675900000000 ]  - [   0.1372830000000000,  0.0754945800000000, -0.0754945800000000 ]  - [  -0.0085917600000000,  0.0095675900000000,  0.0045181500000000 ]  - [  -0.0040190100000000,  0.0022230600000000,  0.0006606500000000 ]  - [   0.0006067200000000,  0.0000783100000000,  0.0009632300000000 ]  - [  -0.0024056100000000, -0.0003936400000000,  0.0003936400000000 ]  - [   0.0115929600000000,  0.0107152300000000, -0.0107152300000000 ]  - [   0.0010878900000000,  0.0016585400000000,  0.0016585400000000 ]  - [   0.0005947400000000,  0.0009569400000000, -0.0001285500000000 ]  - [  -0.0040092200000000,  0.0022078900000000, -0.0006645300000000 ]  - [   0.0005947400000000,  0.0001285500000000, -0.0009569400000000 ]  - [   0.0010719800000000,  0.0016516600000000, -0.0016516600000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001319000000000, -0.0000595100000000, -0.0005374300000000 ]  - [  -0.0007767800000000,  0.0004140600000000,  0.0004522900000000 ]  - [   0.0021402300000000,  0.0017736100000000,  0.0001403200000000 ]  - [   0.0002432500000000, -0.0001837700000000, -0.0001396900000000 ]  - [  -0.0008548500000000, -0.0010896100000000, -0.0001600500000000 ]  - [  -0.0020853900000000,  0.0014473400000000, -0.0068556000000000 ]  - [   0.0007030000000000, -0.0004757200000000,  0.0002216400000000 ]  - [   0.0020680300000000,  0.0005664400000000, -0.0002991400000000 ]  - [   0.0141627000000000, -0.0155188600000000,  0.0152030900000000 ]  - [  -0.0004189800000000,  0.0003270600000000, -0.0007054700000000 ]  - [   0.0004299100000000,  0.0002396500000000, -0.0005104600000000 ]  - [   0.0032715000000000, -0.0026412800000000, -0.0013823500000000 ]  - [  -0.1308658700000000,  0.1032844200000000,  0.0843289800000000 ]  - [   0.0029738600000000,  0.0032648700000000, -0.0046098700000000 ]  - [  -0.0056257000000000, -0.0017965700000000, -0.0032607500000000 ]  - [  -0.0006446800000000,  0.0007913200000000, -0.0002612500000000 ]  - [  -0.0001719600000000,  0.0002995400000000,  0.0005236600000000 ]  - [   0.0000096800000000,  0.0001574700000000, -0.0001406200000000 ]  - [   0.0015792200000000, -0.0015485800000000,  0.0012453900000000 ]  - [  -0.0005597400000000, -0.0013116600000000, -0.0009979200000000 ]  - [   0.0013425000000000,  0.0005733100000000, -0.0009968900000000 ]  - [   0.0001512200000000, -0.0000680200000000,  0.0000752800000000 ]  - [   0.0005289700000000, -0.0002100700000000, -0.0004054000000000 ]  - [   0.0001879200000000,  0.0000565900000000, -0.0000449900000000 ]  - [  -0.0000269400000000, -0.0001504900000000,  0.0000129900000000 ]  - [  -0.0002470600000000, -0.0003961200000000,  0.0003029800000000 ]  - [  -0.0012576100000000, -0.0003711200000000, -0.0006918100000000 ]  - [   0.0004446300000000, -0.0009622400000000, -0.0002060600000000 ]  - [   0.0002031600000000, -0.0004060500000000, -0.0003902100000000 ]  - [  -0.0006484200000000, -0.0007052800000000,  0.0003565300000000 ]  - [   0.0000347400000000,  0.0001050000000000, -0.0000144900000000 ]  - [   0.0001599900000000,  0.0002014200000000,  0.0000194900000000 ]  - [   0.0001114600000000,  0.0001657200000000, -0.0000666100000000 ]  - [   0.0006974700000000, -0.0002813100000000, -0.0000235300000000 ]  - [   0.0005294500000000, -0.0002048600000000, -0.0003895800000000 ]  - [   0.0009157900000000,  0.0007050000000000,  0.0004136400000000 ]  - [   0.0003106500000000, -0.0001495800000000, -0.0000312200000000 ]  - [   0.0004280700000000,  0.0006953800000000, -0.0007050100000000 ]  - [   0.0005022200000000,  0.0002627600000000,  0.0002978100000000 ]  - [   0.0013433300000000, -0.0009598000000000,  0.0013112800000000 ]  - [  -0.0004491400000000,  0.0011915200000000,  0.0020200900000000 ]  - [   0.0014750600000000,  0.0010490800000000, -0.0005887500000000 ]  - [  -0.0001835200000000,  0.0001027500000000, -0.0000658600000000 ]  - [  -0.0000985100000000, -0.0000046000000000, -0.0000752600000000 ]  - [   0.0004456800000000,  0.0001379200000000, -0.0002814100000000 ]  - [   0.0007249400000000, -0.0009973300000000,  0.0009974500000000 ]  - [  -0.0020975100000000,  0.0013291400000000,  0.0011854400000000 ]  - [  -0.0012610800000000, -0.0010491200000000, -0.0005703000000000 ]  - [   0.0007247100000000, -0.0006044700000000, -0.0004114700000000 ]  - [   0.0000072500000000, -0.0002985700000000,  0.0003026400000000 ]  - [   0.0005021600000000,  0.0000807100000000,  0.0003948800000000 ]  - [   0.0001116400000000, -0.0000884900000000,  0.0000036500000000 ]  - [   0.0001916100000000, -0.0003905700000000, -0.0003909700000000 ]  - [   0.0000482700000000, -0.0000583700000000, -0.0001140900000000 ]  - [   0.0119448600000000, -0.0085577400000000, -0.0076874500000000 ]  - [   0.0007748400000000,  0.0002633600000000,  0.0009561400000000 ]  - [  -0.0006428600000000, -0.0007245700000000,  0.0009810900000000 ]  - [  -0.0008772000000000,  0.0009799800000000, -0.0009531500000000 ]  - [  -0.0004216500000000,  0.0002779500000000,  0.0003012400000000 ]  - [  -0.0004126000000000, -0.0001556100000000, -0.0002630100000000 ]  - [  -0.0016537100000000,  0.0013178100000000, -0.0005284300000000 ]  - [  -0.0050014300000000,  0.0154617400000000,  0.0029094900000000 ]  - [   0.0036756300000000,  0.0009568700000000,  0.0020751800000000 ]  - [   0.0004182000000000,  0.0011007100000000,  0.0008139600000000 ]  - [   0.0002242300000000,  0.0003014800000000, -0.0002759000000000 ]  - [   0.0002874300000000, -0.0005646500000000,  0.0001874800000000 ]  - [  -0.0002765800000000,  0.0001117100000000, -0.0000451100000000 ]  - [  -0.0056102500000000,  0.0051957900000000, -0.0004375600000000 ]  - [  -0.0014283500000000, -0.0002252400000000,  0.0007620800000000 ]  - [  -0.0005492700000000, -0.0000733500000000,  0.0003966600000000 ]  - [  -0.0005367300000000, -0.0000637700000000,  0.0002790700000000 ]  - [   0.0008364600000000,  0.0002929500000000,  0.0006179800000000 ]  - [   0.0010028100000000,  0.0022245300000000,  0.0025513800000000 ]  - [   0.0015609800000000, -0.0011297200000000, -0.0006542100000000 ]  - [  -0.0012917200000000, -0.0003759300000000,  0.0012400200000000 ]  - [  -0.0003878500000000,  0.0012865200000000,  0.0001923800000000 ]  - [  -0.0017371800000000, -0.0010501800000000,  0.0000172800000000 ]  - [   0.0000099300000000, -0.0001696600000000,  0.0001088200000000 ]  - [  -0.0004975900000000,  0.0002900900000000,  0.0002248400000000 ]  - [  -0.0014853300000000,  0.0000728900000000,  0.0002919000000000 ]  - [   0.0002560700000000,  0.0002156900000000,  0.0002391200000000 ]  - [  -0.0005899300000000, -0.0004509100000000,  0.0003468800000000 ]  - [  -0.0013452000000000,  0.0004923800000000, -0.0009067800000000 ]  - [  -0.0004543000000000,  0.0002552200000000,  0.0003120700000000 ]  - [  -0.0003746500000000,  0.0009478300000000, -0.0008156600000000 ]  - [  -0.0040723700000000, -0.0000573700000000, -0.0037803500000000 ]  - [   0.0012984100000000,  0.0010426400000000, -0.0000044500000000 ]  - [  -0.0002433200000000, -0.0001420200000000,  0.0004014400000000 ]  - [   0.0011152800000000, -0.0018952700000000,  0.0009736100000000 ]  - [   0.0016358000000000,  0.0038783500000000, -0.0043768700000000 ]  - [   0.1196082000000000, -0.1086505400000000, -0.0816728000000000 ]  - [  -0.0015815200000000,  0.0013690900000000, -0.0003796100000000 ]  - [  -0.0006539900000000, -0.0003160200000000, -0.0001975900000000 ]  - [  -0.0009758000000000, -0.0003476100000000, -0.0008862400000000 ]  - [  -0.0015203200000000, -0.0025966500000000,  0.0028270100000000 ]  - [   0.0000474500000000,  0.0002652800000000,  0.0004149500000000 ]  - [   0.0004387700000000, -0.0001201400000000,  0.0005857400000000 ]  - [  -0.0032706800000000,  0.0028031400000000, -0.0005429400000000 ]  - [   0.0007654900000000,  0.0005922500000000, -0.0006715900000000 ]  - [   0.0006928800000000, -0.0005693300000000,  0.0005869000000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001307100000000,  0.0000602200000000,  0.0005290400000000 ]  - [   0.0007563900000000, -0.0004250400000000, -0.0004492900000000 ]  - [  -0.0021460700000000, -0.0017743900000000, -0.0001322600000000 ]  - [  -0.0002403500000000,  0.0001804800000000,  0.0001370700000000 ]  - [   0.0008453000000000,  0.0010627300000000,  0.0001566200000000 ]  - [   0.0020718700000000, -0.0014395300000000,  0.0067251600000000 ]  - [  -0.0006968100000000,  0.0004663300000000, -0.0002183900000000 ]  - [  -0.0020510900000000, -0.0005555200000000,  0.0002952200000000 ]  - [  -0.0139432400000000,  0.0152844100000000, -0.0149638900000000 ]  - [   0.0004140700000000, -0.0003287200000000,  0.0006959900000000 ]  - [  -0.0004305300000000, -0.0002385200000000,  0.0004973700000000 ]  - [  -0.0032215400000000,  0.0025883600000000,  0.0013632200000000 ]  - [   0.1331092600000000, -0.1096803300000000, -0.0896286100000000 ]  - [  -0.0027968400000000, -0.0032666000000000,  0.0045945300000000 ]  - [   0.0056012100000000,  0.0016430700000000,  0.0032715000000000 ]  - [   0.0005816000000000, -0.0009182300000000,  0.0001954400000000 ]  - [   0.0000287100000000, -0.0003492700000000, -0.0005766200000000 ]  - [  -0.0000591800000000, -0.0002044700000000, -0.0000041800000000 ]  - [  -0.0016141200000000,  0.0015798000000000, -0.0010902000000000 ]  - [   0.0004133600000000,  0.0013458700000000,  0.0010381700000000 ]  - [  -0.0013809400000000, -0.0004260600000000,  0.0010374400000000 ]  - [  -0.0000088500000000,  0.0001166700000000, -0.0001261400000000 ]  - [  -0.0004714100000000,  0.0003476500000000,  0.0003470200000000 ]  - [  -0.0001352800000000, -0.0000053500000000, -0.0000973800000000 ]  - [   0.0000802000000000,  0.0000950800000000,  0.0001270100000000 ]  - [   0.0003837800000000,  0.0003371300000000, -0.0002462700000000 ]  - [   0.0012978400000000,  0.0002249600000000,  0.0007343500000000 ]  - [  -0.0004935100000000,  0.0008077200000000,  0.0001502300000000 ]  - [  -0.0003403300000000,  0.0003457600000000,  0.0003318900000000 ]  - [   0.0005864500000000,  0.0006401600000000, -0.0004914500000000 ]  - [  -0.0000897200000000, -0.0000488700000000,  0.0001530000000000 ]  - [  -0.0003016500000000, -0.0001553100000000,  0.0000278500000000 ]  - [  -0.0001638300000000, -0.0000236000000000,  0.0001181500000000 ]  - [  -0.0005414400000000,  0.0003301200000000, -0.0000326200000000 ]  - [  -0.0004706200000000,  0.0003422400000000,  0.0003313100000000 ]  - [  -0.0008515800000000, -0.0006405100000000, -0.0005474500000000 ]  - [  -0.0002552000000000,  0.0000959500000000,  0.0001707600000000 ]  - [  -0.0002825900000000, -0.0007310500000000,  0.0007476000000000 ]  - [  -0.0004452100000000, -0.0003999400000000, -0.0002417500000000 ]  - [  -0.0013801200000000,  0.0008073200000000, -0.0013461700000000 ]  - [   0.0002888900000000, -0.0012203600000000, -0.0020473400000000 ]  - [  -0.0015109600000000, -0.0010877100000000,  0.0004411000000000 ]  - [   0.0001304300000000, -0.0000510900000000,  0.0002058500000000 ]  - [  -0.0000439700000000,  0.0000554300000000,  0.0001266500000000 ]  - [  -0.0004924800000000,  0.0000042500000000,  0.0003297400000000 ]  - [  -0.0005761900000000,  0.0010372000000000, -0.0010387600000000 ]  - [   0.0021317200000000, -0.0011683100000000, -0.0012268400000000 ]  - [   0.0013010600000000,  0.0010878000000000,  0.0004245600000000 ]  - [  -0.0006644000000000,  0.0005425900000000,  0.0005463400000000 ]  - [   0.0001326800000000,  0.0002407300000000, -0.0002466200000000 ]  - [  -0.0004447000000000, -0.0002207600000000, -0.0003379600000000 ]  - [  -0.0001638100000000, -0.0000534400000000, -0.0000561100000000 ]  - [  -0.0003286200000000,  0.0003306900000000,  0.0003318300000000 ]  - [  -0.0001016500000000,  0.0000037100000000, -0.0000271600000000 ]  - [  -0.0120218400000000,  0.0089706200000000,  0.0081463600000000 ]  - [  -0.0009062500000000, -0.0001930300000000, -0.0008894400000000 ]  - [   0.0005832900000000,  0.0008538400000000, -0.0009134500000000 ]  - [   0.0010047500000000, -0.0009151100000000,  0.0008930500000000 ]  - [   0.0004696600000000, -0.0001348500000000, -0.0003476000000000 ]  - [   0.0004609000000000,  0.0002064300000000,  0.0001195300000000 ]  - [   0.0016381700000000, -0.0012965200000000,  0.0005676100000000 ]  - [   0.0049057400000000, -0.0150157500000000, -0.0027520900000000 ]  - [  -0.0036299300000000, -0.0009699900000000, -0.0020364600000000 ]  - [  -0.0004553200000000, -0.0010822300000000, -0.0008042500000000 ]  - [  -0.0001781400000000, -0.0002922100000000,  0.0002737800000000 ]  - [  -0.0002514400000000,  0.0005868400000000, -0.0001474300000000 ]  - [   0.0002755800000000, -0.0001079300000000, -0.0000003600000000 ]  - [   0.0055711400000000, -0.0051706100000000,  0.0003995800000000 ]  - [   0.0014150700000000,  0.0002658000000000, -0.0007505300000000 ]  - [   0.0005206700000000,  0.0000486500000000, -0.0003657500000000 ]  - [   0.0005335000000000,  0.0000606100000000, -0.0002362600000000 ]  - [  -0.0008540400000000, -0.0002611900000000, -0.0006354000000000 ]  - [  -0.0009904900000000, -0.0022501300000000, -0.0025311300000000 ]  - [  -0.0015792900000000,  0.0011217700000000,  0.0006623100000000 ]  - [   0.0013035300000000,  0.0003570500000000, -0.0012066900000000 ]  - [   0.0004105400000000, -0.0012376500000000, -0.0001623200000000 ]  - [   0.0017198100000000,  0.0010319900000000, -0.0000597200000000 ]  - [   0.0000190900000000,  0.0001440900000000, -0.0001303500000000 ]  - [   0.0004931100000000, -0.0002392800000000, -0.0002204400000000 ]  - [   0.0014354600000000, -0.0000982000000000, -0.0002621500000000 ]  - [  -0.0002554700000000, -0.0002091600000000, -0.0001924200000000 ]  - [   0.0005573700000000,  0.0004661400000000, -0.0003645900000000 ]  - [   0.0013314100000000, -0.0005303600000000,  0.0008922700000000 ]  - [   0.0004034700000000, -0.0002476300000000, -0.0003097100000000 ]  - [   0.0004142200000000, -0.0009341100000000,  0.0008069700000000 ]  - [   0.0040460500000000,  0.0000842400000000,  0.0037517000000000 ]  - [  -0.0012858800000000, -0.0010232400000000, -0.0000375200000000 ]  - [   0.0002651500000000,  0.0001144500000000, -0.0004206500000000 ]  - [  -0.0011128500000000,  0.0019114000000000, -0.0009682200000000 ]  - [  -0.0016434600000000, -0.0038608700000000,  0.0043449800000000 ]  - [  -0.1217286500000000,  0.1143137600000000,  0.0866858200000000 ]  - [   0.0015351100000000, -0.0013200000000000,  0.0003490100000000 ]  - [   0.0006490600000000,  0.0002647500000000,  0.0001940400000000 ]  - [   0.0009302600000000,  0.0003332200000000,  0.0008788500000000 ]  - [   0.0015509800000000,  0.0025574000000000, -0.0027922100000000 ]  - [  -0.0000193800000000, -0.0002324300000000, -0.0003817800000000 ]  - [  -0.0004367800000000,  0.0001157100000000, -0.0006182600000000 ]  - [   0.0032269900000000, -0.0027747600000000,  0.0004606500000000 ]  - [  -0.0007584500000000, -0.0005416000000000,  0.0006598300000000 ]  - [  -0.0007091100000000,  0.0005386100000000, -0.0005576900000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000291400000000, -0.0000291400000000,  0.0006701200000000 ]  - [   0.0006501000000000,  0.0005530600000000, -0.0006210000000000 ]  - [  -0.0005530600000000, -0.0006501000000000, -0.0006210000000000 ]  - [  -0.0000602200000000,  0.0000602200000000,  0.0000992700000000 ]  - [   0.0004608100000000,  0.0012320900000000,  0.0000139900000000 ]  - [  -0.0027324500000000,  0.0027324500000000,  0.0061015700000000 ]  - [  -0.0003000500000000,  0.0003000500000000, -0.0001242400000000 ]  - [  -0.0012320900000000, -0.0004608100000000,  0.0000139900000000 ]  - [  -0.0054998100000000,  0.0054998100000000, -0.0149797700000000 ]  - [  -0.0004005300000000,  0.0000382500000000,  0.0009673200000000 ]  - [  -0.0000382500000000,  0.0004005300000000,  0.0009673200000000 ]  - [  -0.0027470100000000,  0.0027470100000000,  0.0020043200000000 ]  - [   0.0895065700000000, -0.0895065700000000, -0.1443581600000000 ]  - [  -0.0027205500000000, -0.0017406300000000,  0.0029024100000000 ]  - [   0.0017406300000000,  0.0027205500000000,  0.0029024100000000 ]  - [   0.0007586500000000, -0.0004880100000000,  0.0008111600000000 ]  - [   0.0002249200000000, -0.0002324700000000, -0.0001260000000000 ]  - [  -0.0000952400000000, -0.0002172200000000,  0.0001868100000000 ]  - [  -0.0011887300000000,  0.0011887300000000, -0.0008956600000000 ]  - [   0.0002625100000000,  0.0009059000000000,  0.0006736300000000 ]  - [  -0.0009059000000000, -0.0002625100000000,  0.0006736300000000 ]  - [   0.0000512300000000,  0.0001209900000000, -0.0000534800000000 ]  - [  -0.0002456700000000,  0.0002621900000000,  0.0002443600000000 ]  - [   0.0000012900000000,  0.0000705900000000, -0.0000313400000000 ]  - [  -0.0000293200000000,  0.0000726800000000,  0.0001343000000000 ]  - [   0.0001776000000000,  0.0001224100000000, -0.0000349400000000 ]  - [   0.0003192500000000,  0.0002337300000000,  0.0003787900000000 ]  - [  -0.0000912700000000,  0.0002085600000000,  0.0002022800000000 ]  - [  -0.0002616500000000,  0.0002499400000000,  0.0002315100000000 ]  - [   0.0003954300000000,  0.0004512000000000, -0.0003338500000000 ]  - [   0.0000569500000000, -0.0001082600000000,  0.0002362600000000 ]  - [   0.0002159800000000,  0.0009168700000000,  0.0006486500000000 ]  - [  -0.0000437500000000,  0.0000514300000000,  0.0001065300000000 ]  - [  -0.0002085600000000,  0.0000912700000000,  0.0002022800000000 ]  - [  -0.0002499400000000,  0.0002616500000000,  0.0002315100000000 ]  - [  -0.0004512000000000, -0.0003954300000000, -0.0003338500000000 ]  - [  -0.0000726800000000,  0.0000293200000000,  0.0001343000000000 ]  - [  -0.0002337300000000, -0.0003192500000000,  0.0003787900000000 ]  - [  -0.0001224100000000, -0.0001776000000000, -0.0000349400000000 ]  - [  -0.0005228400000000,  0.0002628100000000, -0.0005104600000000 ]  - [   0.0016762400000000, -0.0012727600000000, -0.0003925900000000 ]  - [  -0.0005379500000000, -0.0005200900000000, -0.0000008600000000 ]  - [   0.0001082600000000, -0.0000569500000000,  0.0002362600000000 ]  - [  -0.0000514300000000,  0.0000437500000000,  0.0001065300000000 ]  - [  -0.0009168700000000, -0.0002159800000000,  0.0006486500000000 ]  - [  -0.0002628100000000,  0.0005228400000000, -0.0005104600000000 ]  - [   0.0012727600000000, -0.0016762400000000, -0.0003925900000000 ]  - [   0.0005200900000000,  0.0005379500000000, -0.0000008600000000 ]  - [  -0.0004508500000000,  0.0004508500000000,  0.0004410800000000 ]  - [   0.0001787500000000,  0.0003038900000000, -0.0002877800000000 ]  - [  -0.0003038900000000, -0.0001787500000000, -0.0002877800000000 ]  - [  -0.0001209900000000, -0.0000512300000000, -0.0000534800000000 ]  - [  -0.0002621900000000,  0.0002456700000000,  0.0002443600000000 ]  - [  -0.0000705900000000, -0.0000012900000000, -0.0000313400000000 ]  - [   0.0079442800000000, -0.0079442800000000, -0.0185179300000000 ]  - [  -0.0004877000000000, -0.0008276300000000, -0.0009113000000000 ]  - [   0.0008276300000000,  0.0004877000000000, -0.0009113000000000 ]  - [   0.0004880100000000, -0.0007586500000000,  0.0008111600000000 ]  - [   0.0002324700000000, -0.0002249200000000, -0.0001260000000000 ]  - [   0.0002172200000000,  0.0000952400000000,  0.0001868100000000 ]  - [   0.0010927800000000, -0.0010927800000000,  0.0004890000000000 ]  - [   0.0094103700000000, -0.0094103700000000,  0.0120126000000000 ]  - [  -0.0015787600000000, -0.0014355400000000, -0.0017161800000000 ]  - [  -0.0001713700000000, -0.0008289300000000, -0.0004959400000000 ]  - [  -0.0002254500000000, -0.0003928500000000,  0.0002328700000000 ]  - [  -0.0005335800000000,  0.0001947100000000, -0.0006574800000000 ]  - [   0.0001016800000000, -0.0001016800000000, -0.0000887600000000 ]  - [   0.0043547300000000, -0.0043547300000000,  0.0008492200000000 ]  - [   0.0008289300000000,  0.0001713700000000, -0.0004959400000000 ]  - [   0.0002497100000000, -0.0001134600000000, -0.0003667100000000 ]  - [   0.0002098600000000,  0.0001053200000000, -0.0002732400000000 ]  - [  -0.0001931500000000, -0.0001319600000000, -0.0004034700000000 ]  - [   0.0000124000000000, -0.0003452300000000, -0.0005457800000000 ]  - [  -0.0017623700000000, -0.0003223000000000, -0.0015035500000000 ]  - [   0.0003452300000000, -0.0000124000000000, -0.0005457800000000 ]  - [   0.0000825300000000, -0.0008918200000000, -0.0003593800000000 ]  - [   0.0007214800000000,  0.0005973600000000,  0.0002288100000000 ]  - [  -0.0000456200000000, -0.0004827900000000, -0.0007627300000000 ]  - [   0.0002093200000000, -0.0002178200000000, -0.0002012300000000 ]  - [   0.0008918200000000, -0.0000825300000000, -0.0003593800000000 ]  - [  -0.0001053200000000, -0.0002098600000000, -0.0002732400000000 ]  - [   0.0001319600000000,  0.0001931500000000, -0.0004034700000000 ]  - [   0.0004831100000000, -0.0002387400000000,  0.0003334200000000 ]  - [   0.0002178200000000, -0.0002093200000000, -0.0002012300000000 ]  - [   0.0002387400000000, -0.0004831100000000,  0.0003334200000000 ]  - [   0.0020032100000000,  0.0012011100000000,  0.0036781300000000 ]  - [  -0.0005973600000000, -0.0007214800000000,  0.0002288100000000 ]  - [   0.0004827900000000,  0.0000456200000000, -0.0007627300000000 ]  - [   0.0003223000000000,  0.0017623700000000, -0.0015035500000000 ]  - [  -0.0012011100000000, -0.0020032100000000,  0.0036781300000000 ]  - [  -0.1071821500000000,  0.1071821500000000,  0.1486819800000000 ]  - [   0.0013220600000000, -0.0013220600000000,  0.0001773100000000 ]  - [   0.0003928500000000,  0.0002254500000000,  0.0002328700000000 ]  - [   0.0002423300000000,  0.0006650100000000,  0.0006089400000000 ]  - [   0.0014355400000000,  0.0015787600000000, -0.0017161800000000 ]  - [   0.0001134600000000, -0.0002497100000000, -0.0003667100000000 ]  - [  -0.0000514700000000,  0.0000514700000000, -0.0006820400000000 ]  - [   0.0047658400000000, -0.0047658400000000,  0.0036583900000000 ]  - [  -0.0006650100000000, -0.0002423300000000,  0.0006089400000000 ]  - [  -0.0001947100000000,  0.0005335800000000, -0.0006574800000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0000275400000000,  0.0000275400000000, -0.0006707500000000 ]  - [  -0.0006647600000000, -0.0005669700000000,  0.0006220300000000 ]  - [   0.0005669700000000,  0.0006647600000000,  0.0006220300000000 ]  - [   0.0000616500000000, -0.0000616500000000, -0.0001020700000000 ]  - [  -0.0004648300000000, -0.0012417700000000, -0.0000125300000000 ]  - [   0.0026464800000000, -0.0026464800000000, -0.0060631000000000 ]  - [   0.0003036000000000, -0.0003036000000000,  0.0001246300000000 ]  - [   0.0012417700000000,  0.0004648300000000, -0.0000125300000000 ]  - [   0.0054913800000000, -0.0054913800000000,  0.0150696700000000 ]  - [   0.0003958300000000, -0.0000315600000000, -0.0009710800000000 ]  - [   0.0000315600000000, -0.0003958300000000, -0.0009710800000000 ]  - [   0.0027585700000000, -0.0027585700000000, -0.0019803100000000 ]  - [  -0.0844405600000000,  0.0844405600000000,  0.1431874600000000 ]  - [   0.0028960900000000,  0.0016983000000000, -0.0028681900000000 ]  - [  -0.0016983000000000, -0.0028960900000000, -0.0028681900000000 ]  - [  -0.0008204500000000,  0.0003512400000000, -0.0008709800000000 ]  - [  -0.0003660900000000,  0.0001800400000000,  0.0000740600000000 ]  - [   0.0000415600000000,  0.0001656300000000, -0.0003283800000000 ]  - [   0.0011471400000000, -0.0011471400000000,  0.0010440600000000 ]  - [  -0.0004068300000000, -0.0008610500000000, -0.0006274200000000 ]  - [   0.0008610500000000,  0.0004068300000000, -0.0006274200000000 ]  - [   0.0000888900000000, -0.0000682400000000,  0.0000004800000000 ]  - [   0.0003019400000000, -0.0001242900000000, -0.0002999400000000 ]  - [   0.0000539300000000, -0.0000162500000000, -0.0001077200000000 ]  - [   0.0000847700000000, -0.0001295700000000,  0.0000034500000000 ]  - [  -0.0000402600000000, -0.0001794900000000,  0.0000902400000000 ]  - [  -0.0002768000000000, -0.0003749200000000, -0.0003319600000000 ]  - [   0.0000423400000000, -0.0003608200000000, -0.0002592400000000 ]  - [   0.0001244400000000, -0.0003074700000000, -0.0002885200000000 ]  - [  -0.0004524600000000, -0.0005097900000000,  0.0001969200000000 ]  - [  -0.0001107100000000,  0.0001635600000000, -0.0000975900000000 ]  - [  -0.0003534900000000, -0.0008529700000000, -0.0005901900000000 ]  - [  -0.0000085500000000,  0.0000893200000000, -0.0000542400000000 ]  - [   0.0003608200000000, -0.0000423400000000, -0.0002592400000000 ]  - [   0.0003074700000000, -0.0001244400000000, -0.0002885200000000 ]  - [   0.0005097900000000,  0.0004524600000000,  0.0001969200000000 ]  - [   0.0001295700000000, -0.0000847700000000,  0.0000034500000000 ]  - [   0.0003749200000000,  0.0002768000000000, -0.0003319600000000 ]  - [   0.0001794900000000,  0.0000402600000000,  0.0000902400000000 ]  - [   0.0004766300000000, -0.0004068000000000,  0.0004625200000000 ]  - [  -0.0018068200000000,  0.0012246100000000,  0.0003454100000000 ]  - [   0.0004921900000000,  0.0004749800000000, -0.0001434800000000 ]  - [  -0.0001635600000000,  0.0001107100000000, -0.0000975900000000 ]  - [  -0.0000893200000000,  0.0000085500000000, -0.0000542400000000 ]  - [   0.0008529700000000,  0.0003534900000000, -0.0005901900000000 ]  - [   0.0004068000000000, -0.0004766300000000,  0.0004625200000000 ]  - [  -0.0012246100000000,  0.0018068200000000,  0.0003454100000000 ]  - [  -0.0004749800000000, -0.0004921900000000, -0.0001434800000000 ]  - [   0.0005070000000000, -0.0005070000000000, -0.0003034000000000 ]  - [  -0.0000392300000000, -0.0003589000000000,  0.0003429900000000 ]  - [   0.0003589000000000,  0.0000392300000000,  0.0003429900000000 ]  - [   0.0000682400000000, -0.0000888900000000,  0.0000004800000000 ]  - [   0.0001242900000000, -0.0003019400000000, -0.0002999400000000 ]  - [   0.0000162500000000, -0.0000539300000000, -0.0001077200000000 ]  - [  -0.0078881200000000,  0.0078881200000000,  0.0185803400000000 ]  - [   0.0003514100000000,  0.0008822100000000,  0.0009704200000000 ]  - [  -0.0008822100000000, -0.0003514100000000,  0.0009704200000000 ]  - [  -0.0003512400000000,  0.0008204500000000, -0.0008709800000000 ]  - [  -0.0001800400000000,  0.0003660900000000,  0.0000740600000000 ]  - [  -0.0001656300000000, -0.0000415600000000, -0.0003283800000000 ]  - [  -0.0011020000000000,  0.0011020000000000, -0.0004510900000000 ]  - [  -0.0095714300000000,  0.0095714300000000, -0.0122933400000000 ]  - [   0.0015912400000000,  0.0014029900000000,  0.0017245100000000 ]  - [   0.0001281500000000,  0.0008373800000000,  0.0005005200000000 ]  - [   0.0002722900000000,  0.0003951400000000, -0.0002349100000000 ]  - [   0.0005557900000000, -0.0001803000000000,  0.0006778300000000 ]  - [  -0.0001029000000000,  0.0001029000000000,  0.0000441700000000 ]  - [  -0.0043723800000000,  0.0043723800000000, -0.0008626900000000 ]  - [  -0.0008373800000000, -0.0001281500000000,  0.0005005200000000 ]  - [  -0.0002670000000000,  0.0000958900000000,  0.0003852000000000 ]  - [  -0.0002133700000000, -0.0001058400000000,  0.0003184800000000 ]  - [   0.0001831500000000,  0.0001517800000000,  0.0003927200000000 ]  - [   0.0000009100000000,  0.0003223600000000,  0.0005748600000000 ]  - [   0.0017113100000000,  0.0003000400000000,  0.0014886600000000 ]  - [  -0.0003223600000000, -0.0000009100000000,  0.0005748600000000 ]  - [  -0.0000701000000000,  0.0009170300000000,  0.0003717800000000 ]  - [  -0.0007299200000000, -0.0006049700000000, -0.0002720500000000 ]  - [   0.0000618800000000,  0.0004588500000000,  0.0007425300000000 ]  - [  -0.0002125200000000,  0.0002659100000000,  0.0002041400000000 ]  - [  -0.0009170300000000,  0.0000701000000000,  0.0003717800000000 ]  - [   0.0001058400000000,  0.0002133700000000,  0.0003184800000000 ]  - [  -0.0001517800000000, -0.0001831500000000,  0.0003927200000000 ]  - [  -0.0004907600000000,  0.0001951300000000, -0.0003374900000000 ]  - [  -0.0002659100000000,  0.0002125200000000,  0.0002041400000000 ]  - [  -0.0001951300000000,  0.0004907600000000, -0.0003374900000000 ]  - [  -0.0020042500000000, -0.0011904000000000, -0.0036802900000000 ]  - [   0.0006049700000000,  0.0007299200000000, -0.0002720500000000 ]  - [  -0.0004588500000000, -0.0000618800000000,  0.0007425300000000 ]  - [  -0.0003000400000000, -0.0017113100000000,  0.0014886600000000 ]  - [   0.0011904000000000,  0.0020042500000000, -0.0036802900000000 ]  - [   0.1022583200000000, -0.1022583200000000, -0.1471032500000000 ]  - [  -0.0013420100000000,  0.0013420100000000, -0.0002014000000000 ]  - [  -0.0003951400000000, -0.0002722900000000, -0.0002349100000000 ]  - [  -0.0002903000000000, -0.0006665100000000, -0.0006136300000000 ]  - [  -0.0014029900000000, -0.0015912400000000,  0.0017245100000000 ]  - [  -0.0000958900000000,  0.0002670000000000,  0.0003852000000000 ]  - [   0.0000552900000000, -0.0000552900000000,  0.0006434000000000 ]  - [  -0.0047142400000000,  0.0047142400000000, -0.0036622300000000 ]  - [   0.0006665100000000,  0.0002903000000000, -0.0006136300000000 ]  - [   0.0001803000000000, -0.0005557900000000,  0.0006778300000000 ]- atom:   61  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000989400000000,  0.0003200600000000, -0.0000503000000000 ]  - [  -0.0009398600000000, -0.0019432900000000, -0.0003018000000000 ]  - [  -0.0009258500000000, -0.0019491200000000,  0.0002965400000000 ]  - [  -0.0000963600000000,  0.0003221100000000,  0.0000491800000000 ]  - [  -0.0027049900000000, -0.0005136400000000,  0.0000013600000000 ]  - [  -0.0011719900000000,  0.0003409800000000,  0.0000003400000000 ]  - [   0.0107169200000000, -0.0033249700000000, -0.0000745400000000 ]  - [   0.0013651000000000,  0.0011112000000000,  0.0000001600000000 ]  - [  -0.0086035700000000,  0.0095928500000000,  0.0107492700000000 ]  - [   0.0005955000000000, -0.0009546900000000,  0.0003901800000000 ]  - [   0.0006057400000000, -0.0009656600000000, -0.0003916000000000 ]  - [  -0.0085538800000000,  0.0095674000000000, -0.0106403700000000 ]  - [  -0.0016230600000000,  0.0012840700000000,  0.0011700000000000 ]  - [   0.0004067800000000,  0.0008751500000000, -0.0007861000000000 ]  - [  -0.0013146400000000, -0.0005587100000000, -0.0009162600000000 ]  - [  -0.0005229600000000,  0.0001408900000000, -0.0002787000000000 ]  - [  -0.0002725400000000,  0.0001953700000000,  0.0002839300000000 ]  - [  -0.0003027200000000, -0.0001364800000000,  0.0000316300000000 ]  - [   0.1197214500000000, -0.1084425700000000,  0.1022386500000000 ]  - [  -0.0017921700000000, -0.0020403900000000, -0.0027857100000000 ]  - [   0.0036327000000000,  0.0016586500000000, -0.0025565800000000 ]  - [   0.0006820800000000, -0.0006411900000000,  0.0008591400000000 ]  - [   0.0007900700000000, -0.0005967800000000, -0.0003669100000000 ]  - [   0.0004660800000000,  0.0001445200000000, -0.0000169300000000 ]  - [  -0.0005085500000000,  0.0001861700000000,  0.0002815900000000 ]  - [  -0.0004915600000000, -0.0025608500000000,  0.0012512400000000 ]  - [  -0.0006247800000000, -0.0004640000000000, -0.0002707300000000 ]  - [  -0.0014475100000000,  0.0007626300000000, -0.0011179100000000 ]  - [  -0.0015778800000000,  0.0009521400000000, -0.0006895000000000 ]  - [  -0.0017552400000000, -0.0010580000000000,  0.0006551600000000 ]  - [   0.0002285600000000, -0.0000347300000000,  0.0001756200000000 ]  - [   0.0001629700000000,  0.0002225800000000,  0.0003008700000000 ]  - [   0.0009613200000000,  0.0000643200000000, -0.0003383000000000 ]  - [  -0.0004260400000000,  0.0007808300000000, -0.0008341400000000 ]  - [   0.0011473400000000,  0.0003823900000000, -0.0011547600000000 ]  - [   0.0013187700000000,  0.0010665300000000,  0.0005300400000000 ]  - [   0.0002836100000000, -0.0000891400000000, -0.0000353200000000 ]  - [   0.0003052900000000,  0.0001700400000000, -0.0002494500000000 ]  - [   0.0010323200000000, -0.0000763300000000,  0.0003943100000000 ]  - [   0.0010819800000000,  0.0002394700000000,  0.0010970300000000 ]  - [  -0.0005701600000000,  0.0007316900000000,  0.0007838400000000 ]  - [   0.0012664600000000,  0.0010160700000000, -0.0006721900000000 ]  - [  -0.0005614600000000,  0.0002382900000000, -0.0001414000000000 ]  - [  -0.0006301500000000, -0.0025237000000000, -0.0011971300000000 ]  - [  -0.0006788200000000, -0.0003241300000000,  0.0003233900000000 ]  - [  -0.0014150600000000,  0.0009908000000000,  0.0006256700000000 ]  - [  -0.0013956100000000,  0.0009033200000000,  0.0010646000000000 ]  - [  -0.0017019900000000, -0.0010083500000000, -0.0007961900000000 ]  - [   0.1216147000000000, -0.1145182800000000, -0.1072130100000000 ]  - [  -0.0016468600000000, -0.0020691800000000,  0.0028312600000000 ]  - [   0.0036727700000000,  0.0015109800000000,  0.0025971000000000 ]  - [   0.0007346400000000, -0.0007345300000000,  0.0003140200000000 ]  - [   0.0005423700000000, -0.0006932400000000, -0.0009085500000000 ]  - [   0.0004100100000000,  0.0000907700000000, -0.0001232500000000 ]  - [  -0.0016692500000000,  0.0013308500000000, -0.0010247900000000 ]  - [   0.0002637100000000,  0.0009236200000000,  0.0008360700000000 ]  - [  -0.0013619100000000, -0.0004149500000000,  0.0009656600000000 ]  - [  -0.0001332700000000,  0.0002508700000000, -0.0003385000000000 ]  - [  -0.0004684000000000,  0.0002810000000000,  0.0002246600000000 ]  - [  -0.0002497300000000, -0.0000830900000000, -0.0001729500000000 ]  - [  -0.2819734700000000,  0.2687947200000000,  0.0052417200000000 ]  - [   0.0046111600000000, -0.0043261700000000, -0.0000497700000000 ]  - [   0.0015540100000000,  0.0002812600000000,  0.0005474800000000 ]  - [   0.0014119000000000,  0.0015325900000000,  0.0021815300000000 ]  - [   0.0014553400000000,  0.0015196200000000, -0.0021808500000000 ]  - [   0.0003526100000000,  0.0001492000000000,  0.0001603100000000 ]  - [  -0.0011864900000000,  0.0000004700000000, -0.0000268900000000 ]  - [   0.0174221500000000, -0.0231073200000000,  0.0101009900000000 ]  - [  -0.0028374200000000, -0.0008142700000000,  0.0015281000000000 ]  - [  -0.0008096400000000,  0.0006331200000000, -0.0001174300000000 ]  - [  -0.0005286400000000, -0.0001420400000000,  0.0000229700000000 ]  - [   0.0006698400000000,  0.0012741600000000, -0.0010381100000000 ]  - [   0.0015502400000000, -0.0004209900000000,  0.0006784400000000 ]  - [   0.0005203800000000, -0.0005490800000000, -0.0007577600000000 ]  - [   0.0005658500000000, -0.0005459200000000,  0.0007578000000000 ]  - [   0.0032764300000000, -0.0006173100000000,  0.0015752900000000 ]  - [  -0.0019240400000000, -0.0010810400000000, -0.0000227700000000 ]  - [  -0.0007417200000000,  0.0000401600000000,  0.0002277800000000 ]  - [  -0.0034163500000000, -0.0006729100000000,  0.0016341800000000 ]  - [  -0.0008982800000000, -0.0028889800000000,  0.0024489200000000 ]  - [   0.0010535000000000, -0.0001411800000000,  0.0000231300000000 ]  - [  -0.0007697700000000,  0.0000608600000000, -0.0002521000000000 ]  - [  -0.0034088200000000, -0.0007616200000000, -0.0016785100000000 ]  - [   0.0043462100000000,  0.0016647700000000,  0.0071133700000000 ]  - [   0.0043438400000000,  0.0016483900000000, -0.0070104700000000 ]  - [  -0.0008726700000000, -0.0028759000000000, -0.0024376600000000 ]  - [   0.0026161400000000,  0.0010810000000000, -0.0000240200000000 ]  - [   0.0006877400000000,  0.0012664100000000,  0.0010285600000000 ]  - [   0.0015522600000000, -0.0003692100000000, -0.0006776900000000 ]  - [   0.0032666900000000, -0.0006194600000000, -0.0015774800000000 ]  - [   0.0025902100000000, -0.0013660300000000,  0.0000208300000000 ]  - [   0.0173320900000000, -0.0231315000000000, -0.0102432500000000 ]  - [  -0.0028289400000000, -0.0008622800000000, -0.0015237500000000 ]  - [  -0.0005266900000000, -0.0006763000000000, -0.0007572300000000 ]  - [  -0.0004779500000000, -0.0006810900000000,  0.0007583300000000 ]  - [  -0.0007884300000000,  0.0006493300000000,  0.0001348000000000 ]  - [   0.0005485000000000, -0.0000001300000000, -0.0000235400000000 ]  - [   0.0046068500000000, -0.0043236800000000,  0.0000222300000000 ]  - [   0.0015491800000000,  0.0003233100000000, -0.0005463000000000 ]  - [   0.0003346700000000,  0.0001264200000000, -0.0001398200000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002679700000000, -0.0002679700000000, -0.0009434900000000 ]  - [   0.0001596500000000,  0.0001596500000000,  0.0014617300000000 ]  - [  -0.0001596500000000, -0.0001596500000000,  0.0014617300000000 ]  - [  -0.0002679700000000,  0.0002679700000000, -0.0009434900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004558200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005818600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0318733100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004558200000000 ]  - [  -0.0045248400000000,  0.0045248400000000,  0.0116286500000000 ]  - [  -0.0001019100000000, -0.0001019100000000, -0.0023886400000000 ]  - [   0.0001019100000000,  0.0001019100000000, -0.0023886400000000 ]  - [   0.0045248400000000, -0.0045248400000000,  0.0116286500000000 ]  - [  -0.0005247900000000,  0.0005247900000000,  0.0005441400000000 ]  - [   0.0002888000000000,  0.0004877400000000, -0.0003681700000000 ]  - [  -0.0004877400000000, -0.0002888000000000, -0.0003681700000000 ]  - [  -0.0002957800000000,  0.0001740700000000, -0.0004602000000000 ]  - [   0.0001740700000000, -0.0002957800000000, -0.0004602000000000 ]  - [  -0.0000502700000000, -0.0000502700000000, -0.0001364500000000 ]  - [   0.0816599900000000, -0.0816599900000000,  0.1471352600000000 ]  - [  -0.0014932200000000, -0.0009499000000000, -0.0015198600000000 ]  - [   0.0009499000000000,  0.0014932200000000, -0.0015198600000000 ]  - [  -0.0002017200000000,  0.0005997100000000, -0.0009842600000000 ]  - [   0.0005997100000000, -0.0002017200000000, -0.0009842600000000 ]  - [  -0.0005754300000000, -0.0005754300000000, -0.0007333300000000 ]  - [   0.0002893600000000, -0.0002455800000000, -0.0002271000000000 ]  - [   0.0004022400000000,  0.0022156400000000, -0.0012710700000000 ]  - [   0.0003203200000000,  0.0001806800000000,  0.0002318600000000 ]  - [   0.0002196500000000, -0.0002212800000000,  0.0004118600000000 ]  - [  -0.0018176700000000,  0.0018816900000000,  0.0015496900000000 ]  - [   0.0000111800000000, -0.0000113700000000,  0.0001818400000000 ]  - [  -0.0002455800000000,  0.0002893600000000, -0.0002271000000000 ]  - [   0.0001806800000000,  0.0003203200000000,  0.0002318600000000 ]  - [   0.0022156400000000,  0.0004022400000000, -0.0012710700000000 ]  - [   0.0002212800000000, -0.0002196500000000,  0.0004118600000000 ]  - [  -0.0018816900000000,  0.0018176700000000,  0.0015496900000000 ]  - [   0.0000113700000000, -0.0000111800000000,  0.0001818400000000 ]  - [   0.0002455800000000, -0.0002893600000000, -0.0002271000000000 ]  - [  -0.0001806800000000, -0.0003203200000000,  0.0002318600000000 ]  - [  -0.0022156400000000, -0.0004022400000000, -0.0012710700000000 ]  - [   0.0018816900000000, -0.0018176700000000,  0.0015496900000000 ]  - [  -0.0002212800000000,  0.0002196500000000,  0.0004118600000000 ]  - [  -0.0000113700000000,  0.0000111800000000,  0.0001818400000000 ]  - [  -0.0002893600000000,  0.0002455800000000, -0.0002271000000000 ]  - [  -0.0004022400000000, -0.0022156400000000, -0.0012710700000000 ]  - [  -0.0003203200000000, -0.0001806800000000,  0.0002318600000000 ]  - [   0.0018176700000000, -0.0018816900000000,  0.0015496900000000 ]  - [  -0.0002196500000000,  0.0002212800000000,  0.0004118600000000 ]  - [  -0.0000111800000000,  0.0000113700000000,  0.0001818400000000 ]  - [  -0.0816599900000000,  0.0816599900000000,  0.1471352600000000 ]  - [   0.0014932200000000,  0.0009499000000000, -0.0015198600000000 ]  - [  -0.0009499000000000, -0.0014932200000000, -0.0015198600000000 ]  - [  -0.0005997100000000,  0.0002017200000000, -0.0009842600000000 ]  - [   0.0002017200000000, -0.0005997100000000, -0.0009842600000000 ]  - [   0.0005754300000000,  0.0005754300000000, -0.0007333300000000 ]  - [   0.0005247900000000, -0.0005247900000000,  0.0005441400000000 ]  - [  -0.0002888000000000, -0.0004877400000000, -0.0003681700000000 ]  - [   0.0004877400000000,  0.0002888000000000, -0.0003681700000000 ]  - [  -0.0001740700000000,  0.0002957800000000, -0.0004602000000000 ]  - [   0.0002957800000000, -0.0001740700000000, -0.0004602000000000 ]  - [   0.0000502700000000,  0.0000502700000000, -0.0001364500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3514778000000000 ]  - [   0.0026132600000000, -0.0026132600000000, -0.0010878700000000 ]  - [   0.0003987300000000, -0.0001315100000000,  0.0005491900000000 ]  - [   0.0008688200000000,  0.0008493500000000,  0.0014454300000000 ]  - [  -0.0008688200000000, -0.0008493500000000,  0.0014454300000000 ]  - [   0.0003838600000000,  0.0003838600000000,  0.0011359500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022613900000000 ]  - [   0.0161952700000000, -0.0161952700000000, -0.0023128400000000 ]  - [  -0.0008493500000000, -0.0008688200000000,  0.0014454300000000 ]  - [  -0.0001319700000000, -0.0001319700000000,  0.0016562300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007778700000000 ]  - [  -0.0004401700000000, -0.0010884400000000,  0.0014218100000000 ]  - [  -0.0003038800000000, -0.0001324500000000, -0.0005078100000000 ]  - [  -0.0001324500000000, -0.0003038800000000, -0.0005078100000000 ]  - [   0.0001324500000000,  0.0003038800000000, -0.0005078100000000 ]  - [  -0.0009850500000000, -0.0012856700000000, -0.0033368500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004316800000000 ]  - [  -0.0010884400000000, -0.0004401700000000,  0.0014218100000000 ]  - [  -0.0007212700000000, -0.0063307600000000,  0.0043730800000000 ]  - [   0.0012856700000000,  0.0009850500000000, -0.0033368500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007778700000000 ]  - [   0.0010884400000000,  0.0004401700000000,  0.0014218100000000 ]  - [   0.0007212700000000,  0.0063307600000000,  0.0043730800000000 ]  - [   0.0063307600000000,  0.0007212700000000,  0.0043730800000000 ]  - [  -0.0063307600000000, -0.0007212700000000,  0.0043730800000000 ]  - [  -0.0012856700000000, -0.0009850500000000, -0.0033368500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004316800000000 ]  - [   0.0004401700000000,  0.0010884400000000,  0.0014218100000000 ]  - [   0.0003038800000000,  0.0001324500000000, -0.0005078100000000 ]  - [   0.0009850500000000,  0.0012856700000000, -0.0033368500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009299400000000 ]  - [  -0.0161952700000000,  0.0161952700000000, -0.0023128400000000 ]  - [   0.0008493500000000,  0.0008688200000000,  0.0014454300000000 ]  - [  -0.0001315100000000,  0.0003987300000000,  0.0005491900000000 ]  - [   0.0001315100000000, -0.0003987300000000,  0.0005491900000000 ]  - [   0.0001319700000000,  0.0001319700000000,  0.0016562300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000338900000000 ]  - [  -0.0026132600000000,  0.0026132600000000, -0.0010878700000000 ]  - [  -0.0003987300000000,  0.0001315100000000,  0.0005491900000000 ]  - [  -0.0003838600000000, -0.0003838600000000,  0.0011359500000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0002639000000000,  0.0002639000000000,  0.0009354600000000 ]  - [  -0.0001498900000000, -0.0001498900000000, -0.0014567500000000 ]  - [   0.0001498900000000,  0.0001498900000000, -0.0014567500000000 ]  - [   0.0002639000000000, -0.0002639000000000,  0.0009354600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004495100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005719900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0293674900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004495100000000 ]  - [   0.0044387100000000, -0.0044387100000000, -0.0114327300000000 ]  - [   0.0001078500000000,  0.0001078500000000,  0.0023738100000000 ]  - [  -0.0001078500000000, -0.0001078500000000,  0.0023738100000000 ]  - [  -0.0044387100000000,  0.0044387100000000, -0.0114327300000000 ]  - [   0.0005696900000000, -0.0005696900000000, -0.0003977200000000 ]  - [  -0.0001448400000000, -0.0005321300000000,  0.0004143900000000 ]  - [   0.0005321300000000,  0.0001448400000000,  0.0004143900000000 ]  - [   0.0002374500000000, -0.0003102800000000,  0.0004009700000000 ]  - [  -0.0003102800000000,  0.0002374500000000,  0.0004009700000000 ]  - [  -0.0000034000000000, -0.0000034000000000, -0.0000035800000000 ]  - [  -0.0866904400000000,  0.0866904400000000, -0.1486371100000000 ]  - [   0.0013450500000000,  0.0009679800000000,  0.0015484500000000 ]  - [  -0.0009679800000000, -0.0013450500000000,  0.0015484500000000 ]  - [   0.0003323200000000, -0.0005415200000000,  0.0009275000000000 ]  - [  -0.0005415200000000,  0.0003323200000000,  0.0009275000000000 ]  - [   0.0006236500000000,  0.0006236500000000,  0.0005915700000000 ]  - [  -0.0002320900000000,  0.0001893400000000,  0.0003638200000000 ]  - [  -0.0002647800000000, -0.0022543000000000,  0.0013190400000000 ]  - [  -0.0002622400000000, -0.0003166300000000, -0.0001741600000000 ]  - [  -0.0002691600000000,  0.0000791900000000, -0.0004588800000000 ]  - [   0.0016566600000000, -0.0019187200000000, -0.0015906600000000 ]  - [  -0.0000624800000000, -0.0000397300000000, -0.0003199200000000 ]  - [   0.0001893400000000, -0.0002320900000000,  0.0003638200000000 ]  - [  -0.0003166300000000, -0.0002622400000000, -0.0001741600000000 ]  - [  -0.0022543000000000, -0.0002647800000000,  0.0013190400000000 ]  - [  -0.0000791900000000,  0.0002691600000000, -0.0004588800000000 ]  - [   0.0019187200000000, -0.0016566600000000, -0.0015906600000000 ]  - [   0.0000397300000000,  0.0000624800000000, -0.0003199200000000 ]  - [  -0.0001893400000000,  0.0002320900000000,  0.0003638200000000 ]  - [   0.0003166300000000,  0.0002622400000000, -0.0001741600000000 ]  - [   0.0022543000000000,  0.0002647800000000,  0.0013190400000000 ]  - [  -0.0019187200000000,  0.0016566600000000, -0.0015906600000000 ]  - [   0.0000791900000000, -0.0002691600000000, -0.0004588800000000 ]  - [  -0.0000397300000000, -0.0000624800000000, -0.0003199200000000 ]  - [   0.0002320900000000, -0.0001893400000000,  0.0003638200000000 ]  - [   0.0002647800000000,  0.0022543000000000,  0.0013190400000000 ]  - [   0.0002622400000000,  0.0003166300000000, -0.0001741600000000 ]  - [  -0.0016566600000000,  0.0019187200000000, -0.0015906600000000 ]  - [   0.0002691600000000, -0.0000791900000000, -0.0004588800000000 ]  - [   0.0000624800000000,  0.0000397300000000, -0.0003199200000000 ]  - [   0.0866904400000000, -0.0866904400000000, -0.1486371100000000 ]  - [  -0.0013450500000000, -0.0009679800000000,  0.0015484500000000 ]  - [   0.0009679800000000,  0.0013450500000000,  0.0015484500000000 ]  - [   0.0005415200000000, -0.0003323200000000,  0.0009275000000000 ]  - [  -0.0003323200000000,  0.0005415200000000,  0.0009275000000000 ]  - [  -0.0006236500000000, -0.0006236500000000,  0.0005915700000000 ]  - [  -0.0005696900000000,  0.0005696900000000, -0.0003977200000000 ]  - [   0.0001448400000000,  0.0005321300000000,  0.0004143900000000 ]  - [  -0.0005321300000000, -0.0001448400000000,  0.0004143900000000 ]  - [   0.0003102800000000, -0.0002374500000000,  0.0004009700000000 ]  - [  -0.0002374500000000,  0.0003102800000000,  0.0004009700000000 ]  - [   0.0000034000000000,  0.0000034000000000, -0.0000035800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3516623800000000 ]  - [  -0.0025891700000000,  0.0025891700000000,  0.0010543400000000 ]  - [  -0.0003914400000000,  0.0000871800000000, -0.0005397200000000 ]  - [  -0.0009127800000000, -0.0008273300000000, -0.0014272200000000 ]  - [   0.0009127800000000,  0.0008273300000000, -0.0014272200000000 ]  - [  -0.0003602300000000, -0.0003602300000000, -0.0011066100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022861600000000 ]  - [  -0.0160028300000000,  0.0160028300000000,  0.0023710800000000 ]  - [   0.0008273300000000,  0.0009127800000000, -0.0014272200000000 ]  - [   0.0001182600000000,  0.0001182600000000, -0.0016286800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007285800000000 ]  - [   0.0004153700000000,  0.0010960400000000, -0.0014293700000000 ]  - [   0.0002987400000000,  0.0000844100000000,  0.0005001500000000 ]  - [   0.0000844100000000,  0.0002987400000000,  0.0005001500000000 ]  - [  -0.0000844100000000, -0.0002987400000000,  0.0005001500000000 ]  - [   0.0009882600000000,  0.0012879000000000,  0.0033146100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003877000000000 ]  - [   0.0010960400000000,  0.0004153700000000, -0.0014293700000000 ]  - [   0.0007157400000000,  0.0062911000000000, -0.0043145700000000 ]  - [  -0.0012879000000000, -0.0009882600000000,  0.0033146100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007285800000000 ]  - [  -0.0010960400000000, -0.0004153700000000, -0.0014293700000000 ]  - [  -0.0007157400000000, -0.0062911000000000, -0.0043145700000000 ]  - [  -0.0062911000000000, -0.0007157400000000, -0.0043145700000000 ]  - [   0.0062911000000000,  0.0007157400000000, -0.0043145700000000 ]  - [   0.0012879000000000,  0.0009882600000000,  0.0033146100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003877000000000 ]  - [  -0.0004153700000000, -0.0010960400000000, -0.0014293700000000 ]  - [  -0.0002987400000000, -0.0000844100000000,  0.0005001500000000 ]  - [  -0.0009882600000000, -0.0012879000000000,  0.0033146100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009589000000000 ]  - [   0.0160028300000000, -0.0160028300000000,  0.0023710800000000 ]  - [  -0.0008273300000000, -0.0009127800000000, -0.0014272200000000 ]  - [   0.0000871800000000, -0.0003914400000000, -0.0005397200000000 ]  - [  -0.0000871800000000,  0.0003914400000000, -0.0005397200000000 ]  - [  -0.0001182600000000, -0.0001182600000000, -0.0016286800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000767800000000 ]  - [   0.0025891700000000, -0.0025891700000000,  0.0010543400000000 ]  - [   0.0003914400000000, -0.0000871800000000, -0.0005397200000000 ]  - [   0.0003602300000000,  0.0003602300000000, -0.0011066100000000 ]- atom:   62  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0015484500000000,  0.0001927800000000, -0.0004906400000000 ]  - [   0.0015484500000000,  0.0004906400000000, -0.0001927800000000 ]  - [  -0.0037250300000000, -0.0008544300000000,  0.0008544300000000 ]  - [  -0.0004883900000000,  0.0000768100000000, -0.0000768100000000 ]  - [   0.0016797300000000, -0.0053016200000000,  0.0002004800000000 ]  - [   0.0016797300000000, -0.0002004800000000,  0.0053016200000000 ]  - [  -0.0004422000000000,  0.0015227200000000, -0.0015227200000000 ]  - [  -0.0027256900000000, -0.0013301800000000,  0.0013301800000000 ]  - [   0.1397935900000000, -0.0794819800000000,  0.0794819800000000 ]  - [   0.0010834400000000, -0.0006618300000000,  0.0006618300000000 ]  - [  -0.0040127800000000, -0.0016519000000000, -0.0022108200000000 ]  - [  -0.0040127800000000,  0.0022108200000000,  0.0016519000000000 ]  - [  -0.0049770500000000,  0.0152098300000000,  0.0095388200000000 ]  - [   0.0122666800000000, -0.0027412100000000,  0.0027412100000000 ]  - [  -0.0049770500000000, -0.0095388200000000, -0.0152098300000000 ]  - [  -0.0032743800000000,  0.0046681400000000, -0.0028210800000000 ]  - [  -0.0007368300000000,  0.0005422700000000,  0.0001383200000000 ]  - [   0.0002390500000000,  0.0005239500000000, -0.0006131800000000 ]  - [  -0.0056338100000000,  0.0052181800000000, -0.0043077700000000 ]  - [   0.0036169900000000,  0.0037942600000000,  0.0043960300000000 ]  - [  -0.0040931600000000, -0.0019363200000000,  0.0039048500000000 ]  - [  -0.0006814700000000,  0.0001486600000000, -0.0004389000000000 ]  - [  -0.0014317900000000,  0.0009743700000000,  0.0012337600000000 ]  - [  -0.0005059900000000, -0.0002193900000000, -0.0003282300000000 ]  - [   0.0008723000000000, -0.0004869700000000, -0.0001165400000000 ]  - [   0.0002549500000000,  0.0003323100000000, -0.0003323100000000 ]  - [   0.0008723000000000,  0.0001165400000000,  0.0004869700000000 ]  - [  -0.0002831900000000,  0.0003986200000000,  0.0001276000000000 ]  - [  -0.0004462200000000,  0.0003526300000000,  0.0003700800000000 ]  - [  -0.0004308100000000, -0.0001167500000000,  0.0000081200000000 ]  - [  -0.0000329900000000, -0.0000998700000000,  0.0001239900000000 ]  - [  -0.0004367600000000, -0.0001493900000000, -0.0002488600000000 ]  - [   0.0000050700000000, -0.0000346500000000, -0.0000323400000000 ]  - [  -0.0006814700000000,  0.0004389000000000, -0.0001486600000000 ]  - [  -0.0005059900000000,  0.0003282300000000,  0.0002193900000000 ]  - [  -0.0014317900000000, -0.0012337600000000, -0.0009743700000000 ]  - [  -0.0005440600000000,  0.0002468700000000,  0.0002120500000000 ]  - [  -0.0003283200000000, -0.0006551700000000,  0.0003845300000000 ]  - [  -0.0015305300000000, -0.0014017500000000, -0.0013163600000000 ]  - [  -0.0056338100000000,  0.0043077700000000, -0.0052181800000000 ]  - [   0.0036169900000000, -0.0043960300000000, -0.0037942600000000 ]  - [  -0.0040931600000000, -0.0039048500000000,  0.0019363200000000 ]  - [  -0.0002831900000000, -0.0001276000000000, -0.0003986200000000 ]  - [  -0.0004462200000000, -0.0003700800000000, -0.0003526300000000 ]  - [  -0.0004308100000000, -0.0000081200000000,  0.0001167500000000 ]  - [   0.0009449000000000, -0.0004107000000000,  0.0004107000000000 ]  - [   0.0016505300000000, -0.0011135500000000, -0.0000861800000000 ]  - [   0.0016505300000000,  0.0000861800000000,  0.0011135500000000 ]  - [  -0.0015305300000000,  0.0013163600000000,  0.0014017500000000 ]  - [  -0.0003283200000000, -0.0003845300000000,  0.0006551700000000 ]  - [  -0.0005440600000000, -0.0002120500000000, -0.0002468700000000 ]  - [  -0.0000329900000000, -0.0001239900000000,  0.0000998700000000 ]  - [  -0.0004367600000000,  0.0002488600000000,  0.0001493900000000 ]  - [   0.0000050700000000,  0.0000323400000000,  0.0000346500000000 ]  - [  -0.0032743800000000,  0.0028210800000000, -0.0046681400000000 ]  - [  -0.0007368300000000, -0.0001383200000000, -0.0005422700000000 ]  - [   0.0002390500000000,  0.0006131800000000, -0.0005239500000000 ]  - [   0.0037208700000000, -0.0004684500000000,  0.0004684500000000 ]  - [   0.0007281800000000, -0.0001167800000000, -0.0006032000000000 ]  - [   0.0007281800000000,  0.0006032000000000,  0.0001167800000000 ]  - [   0.0046171000000000, -0.0043321800000000,  0.0026290200000000 ]  - [  -0.1939725500000000,  0.1006260400000000, -0.1006260400000000 ]  - [   0.0172946900000000,  0.0159374100000000,  0.0229584700000000 ]  - [  -0.0033451000000000, -0.0015792200000000, -0.0024471700000000 ]  - [   0.0014411500000000,  0.0010305300000000, -0.0002392600000000 ]  - [   0.0035480700000000, -0.0008135200000000,  0.0032323400000000 ]  - [   0.0003405300000000, -0.0001387400000000,  0.0003555300000000 ]  - [   0.0176167400000000, -0.0289034600000000,  0.0050447900000000 ]  - [   0.0032698300000000,  0.0010032500000000, -0.0028838800000000 ]  - [   0.0020706000000000,  0.0001741500000000, -0.0004364900000000 ]  - [   0.0006757700000000,  0.0000527800000000, -0.0004117700000000 ]  - [  -0.0011987000000000,  0.0003963500000000, -0.0003963500000000 ]  - [  -0.0007548400000000, -0.0011051400000000, -0.0012670300000000 ]  - [  -0.0033451000000000,  0.0024471700000000,  0.0015792200000000 ]  - [   0.0014411500000000,  0.0002392600000000, -0.0010305300000000 ]  - [   0.0010471400000000, -0.0004311600000000, -0.0003948500000000 ]  - [   0.0032698300000000,  0.0028838800000000, -0.0010032500000000 ]  - [  -0.0003001500000000,  0.0003965300000000,  0.0001762600000000 ]  - [   0.0003405300000000, -0.0003555300000000,  0.0001387400000000 ]  - [   0.0020706000000000,  0.0004364900000000, -0.0001741500000000 ]  - [  -0.0007548400000000,  0.0012670300000000,  0.0011051400000000 ]  - [   0.0024405300000000,  0.0003944700000000,  0.0013868800000000 ]  - [   0.0046171000000000, -0.0026290200000000,  0.0043321800000000 ]  - [   0.0011037500000000, -0.0001497100000000,  0.0001497100000000 ]  - [  -0.0010779500000000,  0.0000510500000000, -0.0000510500000000 ]  - [   0.0176167400000000, -0.0050447900000000,  0.0289034600000000 ]  - [  -0.0008748300000000,  0.0006255000000000, -0.0012961700000000 ]  - [   0.0010471400000000,  0.0003948500000000,  0.0004311600000000 ]  - [  -0.0008748300000000,  0.0012961700000000, -0.0006255000000000 ]  - [  -0.0116650600000000,  0.0051087000000000, -0.0051087000000000 ]  - [   0.0172946900000000, -0.0229584700000000, -0.0159374100000000 ]  - [   0.0024405300000000, -0.0013868800000000, -0.0003944700000000 ]  - [   0.0006757700000000,  0.0004117700000000, -0.0000527800000000 ]  - [   0.0016304400000000, -0.0001243000000000,  0.0001243000000000 ]  - [  -0.0023619700000000,  0.0101725400000000, -0.0101725400000000 ]  - [  -0.0003001500000000, -0.0001762600000000, -0.0003965300000000 ]  - [  -0.0007989200000000, -0.0006396500000000,  0.0001056900000000 ]  - [   0.0035480700000000, -0.0032323400000000,  0.0008135200000000 ]  - [  -0.0007989200000000, -0.0001056900000000,  0.0006396500000000 ]  - [  -0.0016381000000000,  0.0008151700000000, -0.0008151700000000 ]- atom:   62  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0015506100000000, -0.0001935100000000,  0.0004903200000000 ]  - [  -0.0015506100000000, -0.0004903200000000,  0.0001935100000000 ]  - [   0.0037349600000000,  0.0008602700000000, -0.0008602700000000 ]  - [   0.0004886800000000, -0.0000776300000000,  0.0000776300000000 ]  - [  -0.0016868700000000,  0.0053135900000000, -0.0002114200000000 ]  - [  -0.0016868700000000,  0.0002114200000000, -0.0053135900000000 ]  - [   0.0004581600000000, -0.0015197000000000,  0.0015197000000000 ]  - [   0.0027461300000000,  0.0013245500000000, -0.0013245500000000 ]  - [  -0.1373480000000000,  0.0755489300000000, -0.0755489300000000 ]  - [  -0.0010778700000000,  0.0006631700000000, -0.0006631700000000 ]  - [   0.0040158700000000,  0.0016573900000000,  0.0022195800000000 ]  - [   0.0040158700000000, -0.0022195800000000, -0.0016573900000000 ]  - [   0.0049240700000000, -0.0152573400000000, -0.0094412500000000 ]  - [  -0.0120324100000000,  0.0029240200000000, -0.0029240200000000 ]  - [   0.0049240700000000,  0.0094412500000000,  0.0152573400000000 ]  - [   0.0032277700000000, -0.0048121000000000,  0.0027609100000000 ]  - [   0.0005966600000000, -0.0005963600000000, -0.0001904100000000 ]  - [  -0.0002931200000000, -0.0005777300000000,  0.0004740900000000 ]  - [   0.0055524600000000, -0.0051527900000000,  0.0044198700000000 ]  - [  -0.0037426800000000, -0.0037427000000000, -0.0043313000000000 ]  - [   0.0040302600000000,  0.0020726500000000, -0.0038396200000000 ]  - [   0.0008251400000000, -0.0000959300000000,  0.0003883700000000 ]  - [   0.0014848900000000, -0.0008335200000000, -0.0012863900000000 ]  - [   0.0005597500000000,  0.0002740900000000,  0.0001876600000000 ]  - [  -0.0008241300000000,  0.0004359200000000,  0.0002601900000000 ]  - [  -0.0001234200000000, -0.0003926500000000,  0.0003926500000000 ]  - [  -0.0008241300000000, -0.0002601900000000, -0.0004359200000000 ]  - [   0.0002302100000000, -0.0005436100000000, -0.0001808600000000 ]  - [   0.0003043200000000, -0.0004041500000000, -0.0004212800000000 ]  - [   0.0003726000000000,  0.0000596800000000, -0.0001459700000000 ]  - [  -0.0000187400000000,  0.0001521600000000,  0.0000167200000000 ]  - [   0.0002936900000000,  0.0002008100000000,  0.0003003300000000 ]  - [  -0.0000569300000000,  0.0001754000000000,  0.0000846800000000 ]  - [   0.0008251400000000, -0.0003883700000000,  0.0000959300000000 ]  - [   0.0005597500000000, -0.0001876600000000, -0.0002740900000000 ]  - [   0.0014848900000000,  0.0012863900000000,  0.0008335200000000 ]  - [   0.0005983900000000, -0.0003024400000000, -0.0000712000000000 ]  - [   0.0004693700000000,  0.0006040100000000, -0.0003330500000000 ]  - [   0.0015825400000000,  0.0012616500000000,  0.0013688000000000 ]  - [   0.0055524600000000, -0.0044198700000000,  0.0051527900000000 ]  - [  -0.0037426800000000,  0.0043313000000000,  0.0037427000000000 ]  - [   0.0040302600000000,  0.0038396200000000, -0.0020726500000000 ]  - [   0.0002302100000000,  0.0001808600000000,  0.0005436100000000 ]  - [   0.0003043200000000,  0.0004212800000000,  0.0004041500000000 ]  - [   0.0003726000000000,  0.0001459700000000, -0.0000596800000000 ]  - [  -0.0007667800000000,  0.0004225800000000, -0.0004225800000000 ]  - [  -0.0016349600000000,  0.0012797100000000,  0.0000609300000000 ]  - [  -0.0016349600000000, -0.0000609300000000, -0.0012797100000000 ]  - [   0.0015825400000000, -0.0013688000000000, -0.0012616500000000 ]  - [   0.0004693700000000,  0.0003330500000000, -0.0006040100000000 ]  - [   0.0005983900000000,  0.0000712000000000,  0.0003024400000000 ]  - [  -0.0000187400000000, -0.0000167200000000, -0.0001521600000000 ]  - [   0.0002936900000000, -0.0003003300000000, -0.0002008100000000 ]  - [  -0.0000569300000000, -0.0000846800000000, -0.0001754000000000 ]  - [   0.0032277700000000, -0.0027609100000000,  0.0048121000000000 ]  - [   0.0005966600000000,  0.0001904100000000,  0.0005963600000000 ]  - [  -0.0002931200000000, -0.0004740900000000,  0.0005777300000000 ]  - [  -0.0035985800000000,  0.0005320200000000, -0.0005320200000000 ]  - [  -0.0006803800000000,  0.0002602300000000,  0.0005546100000000 ]  - [  -0.0006803800000000, -0.0005546100000000, -0.0002602300000000 ]  - [  -0.0046004100000000,  0.0043168700000000, -0.0025616600000000 ]  - [   0.1917445500000000, -0.0965863700000000,  0.0965863700000000 ]  - [  -0.0174590900000000, -0.0162744400000000, -0.0232817200000000 ]  - [   0.0032924600000000,  0.0015737600000000,  0.0024396900000000 ]  - [  -0.0013992200000000, -0.0010357200000000,  0.0002411300000000 ]  - [  -0.0035248400000000,  0.0008457500000000, -0.0032092200000000 ]  - [  -0.0003455100000000,  0.0001362300000000, -0.0004001800000000 ]  - [  -0.0173775800000000,  0.0283558300000000, -0.0050320600000000 ]  - [  -0.0032735200000000, -0.0009550600000000,  0.0028804700000000 ]  - [  -0.0021012900000000, -0.0002043400000000,  0.0004624000000000 ]  - [  -0.0006825000000000, -0.0000496400000000,  0.0004567400000000 ]  - [   0.0011728300000000, -0.0003630500000000,  0.0003630500000000 ]  - [   0.0007576200000000,  0.0010699400000000,  0.0012728400000000 ]  - [   0.0032924600000000, -0.0024396900000000, -0.0015737600000000 ]  - [  -0.0013992200000000, -0.0002411300000000,  0.0010357200000000 ]  - [  -0.0010171000000000,  0.0004669300000000,  0.0004252300000000 ]  - [  -0.0032735200000000, -0.0028804700000000,  0.0009550600000000 ]  - [   0.0003270000000000, -0.0004249700000000, -0.0002030800000000 ]  - [  -0.0003455100000000,  0.0004001800000000, -0.0001362300000000 ]  - [  -0.0021012900000000, -0.0004624000000000,  0.0002043400000000 ]  - [   0.0007576200000000, -0.0012728400000000, -0.0010699400000000 ]  - [  -0.0024746700000000, -0.0003645100000000, -0.0014180800000000 ]  - [  -0.0046004100000000,  0.0025616600000000, -0.0043168700000000 ]  - [  -0.0011461000000000,  0.0001489800000000, -0.0001489800000000 ]  - [   0.0010792700000000, -0.0000214100000000,  0.0000214100000000 ]  - [  -0.0173775800000000,  0.0050320600000000, -0.0283558300000000 ]  - [   0.0008965100000000, -0.0006113700000000,  0.0012685900000000 ]  - [  -0.0010171000000000, -0.0004252300000000, -0.0004669300000000 ]  - [   0.0008965100000000, -0.0012685900000000,  0.0006113700000000 ]  - [   0.0115842900000000, -0.0049673600000000,  0.0049673600000000 ]  - [  -0.0174590900000000,  0.0232817200000000,  0.0162744400000000 ]  - [  -0.0024746700000000,  0.0014180800000000,  0.0003645100000000 ]  - [  -0.0006825000000000, -0.0004567400000000,  0.0000496400000000 ]  - [  -0.0016661500000000,  0.0001260000000000, -0.0001260000000000 ]  - [   0.0023348200000000, -0.0101739400000000,  0.0101739400000000 ]  - [   0.0003270000000000,  0.0002030800000000,  0.0004249700000000 ]  - [   0.0008013600000000,  0.0006407600000000, -0.0001511800000000 ]  - [  -0.0035248400000000,  0.0032092200000000, -0.0008457500000000 ]  - [   0.0008013600000000,  0.0001511800000000, -0.0006407600000000 ]  - [   0.0016180300000000, -0.0008453500000000,  0.0008453500000000 ]